Integrated experimental and computational methods for structure determination and characterization of a new, highly stable cesium silicotitanate phase, Cs2TiSi6O15 (SNL-A)

International Nuclear Information System (INIS)

Nyman D, May; Bonhomme R, Francois; Teter M, David; Maxwell, R.S.; Gu, B.X.; Wang, L.M.; Ewing, R.C.; Nenoff M, Tina

2000-01-01

Exploratory hydrothermal synthesis in the system Cs 2 O-SiO 2 -TiO 2 -H 2 O has produced a new polymorph of Cs 2 TiSi 6 O 15 (SNL-A) whose structure was determined using a combination of experimental and theoretical techniques ( 29 Si and 133 Cs NMR, X-ray Rietveld refinement, and Density Functional Theory). SNL-A crystallizes in the monoclinic space-group Cc with unit cell parameters: a = 12.998(2) angstrom, b = 7.5014(3) angstrom, c = 15.156(3) angstrom, η = 105.80(3) degree. The SNL-A framework consists of silicon tetrahedra and titanium octahedra which are linked in 3-, 5-, 6-, 7- and 8-membered rings in three dimensions. SNL-A is distinctive from a previously reported C2/c polymorph of Cs 2 TiSi 6 O 15 by different ring geometries. Similarities and differences between the two structures are discussed. Other characterizations of SNL-A include TGA-DTA, Cs/Si/Ti elemental analyses, and SEM/EDS. Furthermore, the chemical and radiation durability of SNL-A was studied in interest of ceramic waste form applications. These studies show that SNL-A is durable in both radioactive and rigorous chemical environments. Finally, calculated cohesive energies of the two Cs 2 TiSi 6 O 15 polymorphs suggest that the SNL-A phase (synthesized at 200 C) is energetically more favorable than the C2/c polymorph (synthesized at 1,050 C)

Site Environmental Report for 2014 SNL/CA

Energy Technology Data Exchange (ETDEWEB)

Larsen, Barbara L. [Sandia National Lab. (SNL-CA), Livermore, CA (United States)

2015-06-01

Sandia National Laboratories, California (SNL/CA) is a government-owned/contractoroperated laboratory. Sandia Corporation, a wholly owned subsidiary of Lockheed Martin Corporation, manages and operates the laboratory for the Department of Energy’s National Nuclear Security Administration (NNSA). The NNSA Sandia Field Office administers the contract and oversees contractor operations at the site. This Site Environmental Report for 2014 was prepared in accordance with DOE Order 231.1B, Environment, Safety and Health Reporting (DOE 2011d). The report provides a summary of environmental monitoring information and compliance activities that occurred at SNL/CA during calendar year 2014. General site and environmental program information is also included.

SNL/CA Environmental Planning and Ecology Annual Program Report for Calendar Year 2005.

Energy Technology Data Exchange (ETDEWEB)

Larsen, Barbara L.

2005-05-01

The annual program report provides detailed information about all aspects of the SNL/CA Environmental Planning and Ecology Program for a given calendar year. It functions as supporting documentation to the SNL/CA Environmental Management System Program Manual. The 2005 program report describes the activities undertaken during the past year, and activities planned in future years to implement the Planning and Ecology Program, one of six programs that supports environmental management at SNL/CA.

Basic Data Report for Drillhole SNL-5 (C-3002)

Energy Technology Data Exchange (ETDEWEB)

Dennis W. Powers; Washington Regulatory and Environmental Services

2005-01-18

SNL-5 (permitted by the New Mexico State Engineer as C-3002) was drilled to provide geological data and hydrological testing of the Culebra Dolomite Member of the Permian Rustler Formation in an area north of the Waste Isolation Pilot Plant (WIPP) site where data are sparse and where a pumping or monitoring well for the northern pumping test is needed. SNL-5 is located in the southeast quarter of section 6, T22S, R31E, in eastern Eddy County, New Mexico. SNL-5 was drilled to a total depth of 687 ft below ground level (bgl), based on driller's measurements. Below the caliche pad, SNL-5 encountered the Mescalero caliche, Gatu?a, Dewey Lake, and Rustler Formations. Two intervals of the Rustler were cored: (1) from the lower Forty-niner Member through the Magenta Dolomite and into the upper Tamarisk Member; and (2) from the lower Tamarisk Member through the Culebra Dolomite and into the upper Los Meda?os Members. Geophysical logs were acquired from the open hole to a depth of ~672 ft. No water was observed to flow into the open drillhole until the Culebra was penetrated. includes horizontal beds and laminae near the base, and the uppermost part shows some inclined bedding. The mudstone unit shows mostly reddish brown claystone and siltstone with some gray mottling. Clasts or intraclasts are also included in the unit. The upper Tamarisk sulfate is somewhat brecciated near the base.

SNL/CA Facilities Management Design Standards Manual

Energy Technology Data Exchange (ETDEWEB)

Rabb, David [Sandia National Lab. (SNL-CA), Livermore, CA (United States); Clark, Eva [Sandia National Lab. (SNL-CA), Livermore, CA (United States)

2014-12-01

At Sandia National Laboratories in California (SNL/CA), the design, construction, operation, and maintenance of facilities is guided by industry standards, a graded approach, and the systematic analysis of life cycle benefits received for costs incurred. The design of the physical plant must ensure that the facilities are "fit for use," and provide conditions that effectively, efficiently, and safely support current and future mission needs. In addition, SNL/CA applies sustainable design principles, using an integrated whole-building design approach, from site planning to facility design, construction, and operation to ensure building resource efficiency and the health and productivity of occupants. The safety and health of the workforce and the public, any possible effects on the environment, and compliance with building codes take precedence over project issues, such as performance, cost, and schedule.

Final report for SNL/NM environmental drilling project

International Nuclear Information System (INIS)

Wemple, R.P.; Meyer, R.D.; Staller, G.E.; Layne, R.R.

1994-11-01

Concern for the environment and cost reduction are driving forces for a broad effort in government and the private sector to develop new, more cost-effective technologies for characterizing, monitoring and remediating environmental sites. Secondary goals of the characterization, monitoring and remediation (CMR) activity are: minimize secondary waste generation, minimize site impact, protect water tables, and develop methods/strategies to apply new technologies. The Sandia National Laboratories (SNL) project in directional boring for CMR of waste sites with enhanced machinery from the underground utility installation industry was initiated in 1990. The project has tested a variety of prototype machinery and hardware built by the industrial partner, Charles Machine Works (CMW), and SNL at several sites (Savannah River Site (SRS), Hanford, SNL, Kirtland AFB (KAFB), CMW), successfully installed usable horizontal environmental test wells at SRS and SNL/KAFB, and functioned as a clearing house for information regarding application of existing commercial machinery to a variety of governmental and commercial sites. The project has continued to test and develop machinery in FY 94. The original goal of cost-effectiveness is being met through innovation, adaptation, and application of fundamental concepts. Secondary goals are being met via a basic philosophy of open-quotes cut/thrust and compact cuttings without adding large quantities of fluidclose quotes to an environmental problem site. This technology will be very cost-effective where applicable. Technology transfer and commercialization by CMW is ongoing and will continue into FY 95. Technology transfer to the private sector is ongoing and reflected in increasing machinery sales to environmental contractors. Education of regulatory agencies resulting in restructuring of appropriate regulatory standards for specification of the horizontal drilling techniques continues to be a long-range goal

Final report for SNL/NM environmental drilling project

Energy Technology Data Exchange (ETDEWEB)

Wemple, R.P.; Meyer, R.D.; Staller, G.E. [Sandia National Labs., Albuquerque, NM (United States); Layne, R.R. [Charles Machine Works, Inc., Perry, OK (United States)

1994-11-01

Concern for the environment and cost reduction are driving forces for a broad effort in government and the private sector to develop new, more cost-effective technologies for characterizing, monitoring and remediating environmental sites. Secondary goals of the characterization, monitoring and remediation (CMR) activity are: minimize secondary waste generation, minimize site impact, protect water tables, and develop methods/strategies to apply new technologies. The Sandia National Laboratories (SNL) project in directional boring for CMR of waste sites with enhanced machinery from the underground utility installation industry was initiated in 1990. The project has tested a variety of prototype machinery and hardware built by the industrial partner, Charles Machine Works (CMW), and SNL at several sites (Savannah River Site (SRS), Hanford, SNL, Kirtland AFB (KAFB), CMW), successfully installed usable horizontal environmental test wells at SRS and SNL/KAFB, and functioned as a clearing house for information regarding application of existing commercial machinery to a variety of governmental and commercial sites. The project has continued to test and develop machinery in FY 94. The original goal of cost-effectiveness is being met through innovation, adaptation, and application of fundamental concepts. Secondary goals are being met via a basic philosophy of {open_quotes}cut/thrust and compact cuttings without adding large quantities of fluid{close_quotes} to an environmental problem site. This technology will be very cost-effective where applicable. Technology transfer and commercialization by CMW is ongoing and will continue into FY 95. Technology transfer to the private sector is ongoing and reflected in increasing machinery sales to environmental contractors. Education of regulatory agencies resulting in restructuring of appropriate regulatory standards for specification of the horizontal drilling techniques continues to be a long-range goal.

Toward exascale computing through neuromorphic approaches.

Energy Technology Data Exchange (ETDEWEB)

James, Conrad D.

2010-09-01

While individual neurons function at relatively low firing rates, naturally-occurring nervous systems not only surpass manmade systems in computing power, but accomplish this feat using relatively little energy. It is asserted that the next major breakthrough in computing power will be achieved through application of neuromorphic approaches that mimic the mechanisms by which neural systems integrate and store massive quantities of data for real-time decision making. The proposed LDRD provides a conceptual foundation for SNL to make unique advances toward exascale computing. First, a team consisting of experts from the HPC, MESA, cognitive and biological sciences and nanotechnology domains will be coordinated to conduct an exercise with the outcome being a concept for applying neuromorphic computing to achieve exascale computing. It is anticipated that this concept will involve innovative extension and integration of SNL capabilities in MicroFab, material sciences, high-performance computing, and modeling and simulation of neural processes/systems.

Assessment Report Sandia National Laboratories Fuel Cycle Technologies Quality Assurance Evaluation of FY15 SNL FCT M2 Milestone Deliverables

International Nuclear Information System (INIS)

Appel, Gordon John

2016-01-01

Sandia National Laboratories (SNL) Fuel Cycle Technologies (FCT) program activities are conducted in accordance with FCT Quality Assurance Program Document (FCT-QAPD) requirements. The FCT-QAPD interfaces with SNL approved Quality Assurance Program Description (SNL-QAPD) as explained in the Sandia National Laboratories QA Program Interface Document for FCT Activities (Interface Document). This plan describes SNL's FY16 assessment of SNL's FY15 FCT M2 milestone deliverable's compliance with program QA requirements, including SNL R&A requirements. The assessment is intended to confirm that SNL's FY15 milestone deliverables contain the appropriate authenticated review documentation and that there is a copy marked with SNL R&A numbers.

Assessment Report Sandia National Laboratories Fuel Cycle Technologies Quality Assurance Evaluation of FY15 SNL FCT M2 Milestone Deliverables

Energy Technology Data Exchange (ETDEWEB)

Appel, Gordon John [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)

2016-05-01

Sandia National Laboratories (SNL) Fuel Cycle Technologies (FCT) program activities are conducted in accordance with FCT Quality Assurance Program Document (FCT-QAPD) requirements. The FCT-QAPD interfaces with SNL approved Quality Assurance Program Description (SNL-QAPD) as explained in the Sandia National Laboratories QA Program Interface Document for FCT Activities (Interface Document). This plan describes SNL's FY16 assessment of SNL's FY15 FCT M2 milestone deliverable's compliance with program QA requirements, including SNL R&A requirements. The assessment is intended to confirm that SNL's FY15 milestone deliverables contain the appropriate authenticated review documentation and that there is a copy marked with SNL R&A numbers.

Basic Data Report for Drillhole SNL-3 (C-2949) (Waste Isolation Pilot Plant)

International Nuclear Information System (INIS)

Powers, Dennis W.

2005-01-01

SNL-3 (permitted by the New Mexico State Engineer as C-2949) was drilled to provide geological data and hydrological testing of the Culebra Dolomite Member of the Permian Rustler Formation within a dissolution reentrant north of the WIPP site and well east of Livingston Ridge. SNL-3 is located in the southeast quarter of section 34, T21S, R31E, in eastern Eddy County, New Mexico. SNL-3 was drilled to a total depth of 970 ft below ground level (bgl). Below surface dune sand, SNL-3 encountered, in order, the Mescalero caliche, Gatuna, Dewey Lake, Rustler, and upper Salado Formations. Two intervals were cored: (1) from the lower Forty-niner Member through the Magenta Dolomite and into the upper Tamarisk Member; and (2) from the lower Tamarisk Member through the Culebra Dolomite and Los Medanos Members and into the uppermost Salado.

Waste minimization/pollution prevention at R ampersand D facilities: Implementing the SNL/NM Process Waste Assessment Program

International Nuclear Information System (INIS)

Kjeldgaard, E.A.; Stermer, D.L.; Saloio, J.H. Jr.; Lorton, G.A.

1993-01-01

The Sandia National Laboratories, New Mexico (SNL/NM) Process Waste Assessment (PWA) program began formally on November 2, 1992. This program represents the first laboratory-wide attempt to explicitly identify and characterize SNL/NM's waste generating processes for waste minimization purposes. This paper describes the major elements of the SNL/NM PWA program, the underlying philosophy for designing a PWA program at a highly diverse laboratory setting such as SNL/NM, and the experiences and insights gained from five months of implementing this living program. Specifically, the SNL/NM PWA program consists of four major, interrelated phases: (1) Process Definition, (2) Process Characterization, (3) Waste Minimization Opportunity Assessment, and (4) Project Evaluation, Selection, Implementation, and Tracking. This phased approach was developed to Provide a flexible, yet appropriate, level of detail to the multitude of different ''processes'' at SNL/NM. Using a staff infrastructure of approximately 60 Waste Minimization Network Representatives (MinNet Reps) and consulting support, the SNL/NM PWA program has become the linchpin of even more progressive and proactive environmental, safety, and health (ES ampersand H) initiatives such as: (1) cradle-to-grove material/waste tracking, (2) centralized ES ampersand H reporting, and (3) detailed baselining and tracking for measuring multi-media waste reduction goals. Specific examples from the SNL/NM PWA program are provided, including the results from Process Definition, Process Characterization, and Waste Minimization Opportunity Assessments performed for a typical SNL/NM process

Report on the SNL/AWE/NSF international workshop on joint mechanics, Dartington, United Kingdom, 2729 April 2009.

Energy Technology Data Exchange (ETDEWEB)

Ewins, David J. (University of Bristol, UK); Bergman, Lawrence A. (University of Illinois, Urbana, IL); Segalman, Daniel Joseph

2010-08-01

The SNL/AWE joint mechanics workshop, held in Dartington Hall, Totnes, Devon, UK 26-29 April 2009 was a follow up to another international joints workshop held in Arlington, Virginia, in October 2006. The preceding workshop focused on identifying what length scales and interactions would be necessary to provide a scientific basis for analyzing and understanding joint mechanics from the atomistic scale on upward. In contrast, the workshop discussed in this report, focused much more on identification and development of methods at longer length scales that can have a nearer term impact on engineering analysis, design, and prediction of the dynamics of jointed structures. Also, the 2009 meeting employed less technical presentation and more break out sessions for developing focused strategies than was the case with the early workshop. Several 'challenges' were identified and assignments were made to teams to develop approaches to address those challenges.

Basic Data Report for Drillhole SNL-12 (C-2954) (Waste Isolation Pilot Plant)

International Nuclear Information System (INIS)

Powers, Dennis W.

2005-01-01

SNL-12 (permitted by the New Mexico State Engineer as C-2954) was drilled to provide geological data and hydrological testing of the Culebra Dolomite Member of the Permian Rustler Formation near the margin of dissolution of halite in the upper part of the Salado south of the Waste Isolation Pilot Plant (WIPP). SNL-12 is located in the southeast quarter of section 20, T23S, R31E, in eastern Eddy County, New Mexico. SNL-12 was drilled to a total depth of 905 ft below the ground level. Below surface dune sand and the Berino soil, SNL-12 encountered, in order, the Mescalero caliche, Gatu?a, Dewey Lake, Rustler, and uppermost Salado Formations. Two intervals were cored: (1) from the lower Forty-niner Member through the Magenta Dolomite and into the upper Tamarisk Member; and (2) from the lower Tamarisk Member through the Culebra Dolomite and Los Medanos Members and into the uppermost Salado Formation. Geophysical logs were acquired from the open hole to total depth, and the drillhole was successfully completed with a screened interval open across the Culebra. At SNL-12, the uppermost Salado cores display displacive halite crystals in clastic-rich units below an amalgamated sulfate at the top of the formation. There is no indication of thinning of the upper Salado due to postdepositional dissolution, and this is consistent with predrilling expectations.

Basic Data Report for Drillhole SNL-2 (C-2948) (Waste Isolation Pilot Plant)

International Nuclear Information System (INIS)

Powers, Dennis W.

2005-01-01

SNL-2 was drilled in the northwest quarter of Section 12, T22S, R30E, in eastern Eddy County, New Mexico (Figure 2-1). It is located 574 ft from the north line (fnl) and 859 ft from the west line (fwl) of the section (Figure 2-2). This location places the drillhole east of the Livingston Ridge escarpment among oil wells of the Cabin Lake field. SNL-2 will be used to test hydraulic properties and to monitor ground water levels of the Culebra Dolomite Member of the Permian Rustler Formation. SNL-2 was permitted by the New Mexico State Engineer as C-2948. [Official correspondence regarding permitting and regulatory information must reference this permit number.] In the plan describing the integrated groundwater hydrology program (Sandia National Laboratories, 2003), SNL-2 is also codesignated WTS-1 because the location also satisfies needs for long-term monitoring of water quality and movement in the Culebra Dolomite for RCRA permitting; this program is under the management of Washington TRU Solutions LLC (WTS). In the event that additional wells are established on the SNL-2 drillpad to monitor other hydrological units (e.g., the Magenta Dolomite Member of the Permian Rustler Formation), the current drillhole will likely be referred to as SNL-2C because it is completed in the Culebra. Most drillholes at WIPP have been described after completion to provide an account of the geology, hydrology, or other basic data acquired during drilling and immediate completion of the drillhole. In addition, the basic data report provides an account of the drilling procedures and activities that may be helpful to later interpretations of data or for further work in the drillhole, including test activities and eventual plugging and abandoning activities. The basic data report also provides a convenient means of reporting information about administrative activities necessary to drill the hole.

The SNL100-03 Blade: Design Studies with Flatback Airfoils for the Sandia 100-meter Blade.

Energy Technology Data Exchange (ETDEWEB)

Griffith, Daniel; Richards, Phillip William

2014-09-01

A series of design studies were performed to inv estigate the effects of flatback airfoils on blade performance and weight for large blades using the Sandi a 100-meter blade designs as a starting point. As part of the study, the effects of varying the blade slenderness on blade structural performance was investigated. The advantages and disadvantages of blad e slenderness with respect to tip deflection, flap- wise & edge-wise fatigue resistance, panel buckling capacity, flutter speed, manufacturing labor content, blade total weight, and aerodynamic design load magn itude are quantified. Following these design studies, a final blade design (SNL100-03) was prod uced, which was based on a highly slender design using flatback airfoils. The SNL100-03 design with flatback airfoils has weight of 49 tons, which is about 16% decrease from its SNL100-02 predecessor that used conventional sharp trailing edge airfoils. Although not systematically optimized, the SNL100 -03 design study provides an assessment of and insight into the benefits of flatback airfoils for la rge blades as well as insights into the limits or negative consequences of high blade slenderness resulting from a highly slender SNL100-03 planform as was chosen in the final design definition. This docum ent also provides a description of the final SNL100-03 design definition and is intended to be a companion document to the distribution of the NuMAD blade model files for SNL100-03, which are made publicly available. A summary of the major findings of the Sandia 100-meter blade development program, from the initial SNL100-00 baseline blade through the fourth SNL100-03 blade study, is provided. This summary includes the major findings and outcomes of blade d esign studies, pathways to mitigate the identified large blade design drivers, and tool development that were produced over the course of this five-year research program. A summary of large blade tec hnology needs and research opportunities is also presented.

National Environmental Policy Act (NEPA) compliance at Sandia National Laboratories/New Mexico (SNL/NM)

International Nuclear Information System (INIS)

Wolff, T.A.

1998-08-01

This report on National Environmental Policy Act (NEPA) compliance at Sandia National Laboratories/New Mexico (SNL/NM) chronicles past and current compliance activities and includes a recommended strategy that can be implemented for continued improvement. This report provides a list of important references. Attachment 1 contains the table of contents for SAND95-1648, National Environmental Policy Act (NEPA) Compliance Guide Sandia National Laboratories (Hansen, 1995). Attachment 2 contains a list of published environmental assessments (EAs) and environmental impact statements (EISs) prepared by SNL/NM. Attachment 3 contains abstracts of NEPA compliance papers authored by SNL/NM and its contractors

National Environmental Policy Act (NEPA) compliance at Sandia National Laboratories/New Mexico (SNL/NM)

Energy Technology Data Exchange (ETDEWEB)

Wolff, T.A. [Sandia National Labs., Albuquerque, NM (United States). Community Involvement and Issues Management Dept.; Hansen, R.P. [Hansen Environmental Consultants, Englewood, CO (United States)

1998-08-01

This report on National Environmental Policy Act (NEPA) compliance at Sandia National Laboratories/New Mexico (SNL/NM) chronicles past and current compliance activities and includes a recommended strategy that can be implemented for continued improvement. This report provides a list of important references. Attachment 1 contains the table of contents for SAND95-1648, National Environmental Policy Act (NEPA) Compliance Guide Sandia National Laboratories (Hansen, 1995). Attachment 2 contains a list of published environmental assessments (EAs) and environmental impact statements (EISs) prepared by SNL/NM. Attachment 3 contains abstracts of NEPA compliance papers authored by SNL/NM and its contractors.

Basic Data Report for Drillhole SNL-5 (C-3002) (Waste Isolation Pilot Plant)

International Nuclear Information System (INIS)

Powers, Dennis W.

2005-01-01

SNL-5 (permitted by the New Mexico State Engineer as C-3002) was drilled to provide geological data and hydrological testing of the Culebra Dolomite Member of the Permian Rustler Formation in an area north of the Waste Isolation Pilot Plant (WIPP) site where data are sparse and where a pumping or monitoring well for the northern pumping test is needed. SNL-5 is located in the southeast quarter of section 6, T22S, R31E, in eastern Eddy County, New Mexico. SNL-5 was drilled to a total depth of 687 ft below ground level (bgl), based on driller's measurements. Below the caliche pad, SNL-5 encountered the Mescalero caliche, Gatuna, Dewey Lake, and Rustler Formations. Two intervals of the Rustler were cored: (1) from the lower Forty-niner Member through the Magenta Dolomite and into the upper Tamarisk Member; and (2) from the lower Tamarisk Member through the Culebra Dolomite and into the upper Los Medanos Members. Geophysical logs were acquired from the open hole to a depth of ∼672 ft. No water was observed to flow into the open drillhole until the Culebra was penetrated. includes horizontal beds and laminae near the base, and the uppermost part shows some inclined bedding. The mudstone unit shows mostly reddish brown claystone and siltstone with some gray mottling. Clasts or intraclasts are also included in the unit. The upper Tamarisk sulfate is somewhat brecciated near the base.

Regional cooperation planning. Project planning for JAEA/SNL regional cooperation on remote monitoring

International Nuclear Information System (INIS)

Olsen, John

2006-01-01

Developing cooperation between the JAEA's NPSTC and the NNCA may take advantage of bilateral activities between those parties and SNL. The merger of JNC and JAERI has affected the schedule for JAEA/SNL cooperation. Also, the evolution of the NNCA as an independent agency has slowed the projected schedule for cooperation between the JAEA and the NNCA. A potential schedule for establishment of a quadrilateral remote monitoring system may include interim activities, securing an agreement of some type, and actual establishment of VPN links. A parallel schedule might exist for informing other regional parties and gaining their interest. (author)

Updated neutron spectrum characterization of SNL baseline reactor environments

International Nuclear Information System (INIS)

Griffin, P.J.; Kelly, J.G.; Vehar, D.W.

1994-04-01

This document provides SAND-II and MANIPULATE output listings from calculations used to derive the new spectrum-averaged integral parameters that were reported in volume 1. When used in conjunction with volume 1, this document provides an audit trail for the neutron radiation field characterization and supports current quality assurance initiatives. This document provides detailed information on the neutron spectrum characteristics of the primary Sandia National Laboratories' (SNL) reactor environments. The information in this volume is not intended for the casual user of the SNL reactor facilities. This detailed characterization of the neutron and gamma environments at the Sandia Pulsed Reactor (SPR) and the Annular Core Research Reactor (ACRR) is provided to aid the users who wish to convert the information given in the Radiation Metrology Laboratory (RML) dosimetry reports into other (non-silicon) measures of neutron damage. The spectra provided in these appendices can be used as a source term for Monte Carlo radiation transport calculations to study the impact of experimenter's test package on the neutron environment

Rice Snl6, a cinnamoyl-CoA reductase-like gene family member, is required for NH1-mediated immunity to Xanthomonas oryzae pv. oryzae.

Directory of Open Access Journals (Sweden)

Rebecca S Bart

2010-09-01

Full Text Available Rice NH1 (NPR1 homolog 1 is a key mediator of innate immunity. In both plants and animals, the innate immune response is often accompanied by rapid cell death at the site of pathogen infection. Over-expression of NH1 in rice results in resistance to the bacterial pathogen, Xanthomonas oryzae pv. oryzae (Xoo, constitutive expression of defense related genes and enhanced benzothiadiazole (BTH- mediated cell death. Here we describe a forward genetic screen that identified a suppressor of NH1-mediated lesion formation and resistance, snl6. Comparative genome hybridization and fine mapping rapidly identified the genomic location of the Snl6 gene. Snl6 is a member of the cinnamoyl-CoA reductase (CCR-like gene family. We show that Snl6 is required for NH1-mediated resistance to Xoo. Further, we show that Snl6 is required for pathogenesis-related gene expression. In contrast to previously described CCR family members, disruption of Snl6 does not result in an obvious morphologic phenotype. Snl6 mutants have reduced lignin content and increased sugar extractability, an important trait for the production of cellulosic biofuels. These results suggest the existence of a conserved group of CCR-like genes involved in the defense response, and with the potential to alter lignin content without affecting development.

New values for some 4He I 1snl energy levels, ionization energies, and Lamb shifts

International Nuclear Information System (INIS)

Martin, W.C.

1984-01-01

Recent experimental determinations of energy separations within the 1snl term system (n = 2--6) have been used to reevaluate 35 levels. Most of the levels have estimated errors less than 0.001 cm -1 relative to the 2 3 P levels. Addition of accurate theoretical term values (ionization energies) available for several 1snl levels to the corresponding experimental level values gives generally consistent values for the principal ionization energy (E/sub I/). The theoretical energies are further confirmed by the agreement of the weighted average of seven of these E/sub I/ values with a value obtained by fitting Ritz formulas to three accurately determined 1snl series; the suggested new E/sub I/ is 198 310.7745(40) cm -1 on an energy scale fixed by the value 171 135.0000 cm -1 for 2 1 P. Lamb shifts are derived for the 2, 3, 4 3 S 1 , 2 1 S 0 , 2 3 P 1 , and 2 1 P 1 levels as differences between experimental term values obtained with the new E/sub I/ and corresponding calculated term values not including Lamb shifts. The experimental and calculated values for the 1s 2 1 S 0 ground level relative to the present 1snl excited-level system are 0.00 +- 0.15 and 0.073 +- 0.009 cm -1 , respectively, so that a approx.20-fold increase in the experimental accuracy would be required to test the calculated ground-level Lamb shift

Interim report for SNL/NM environmental drilling project

Energy Technology Data Exchange (ETDEWEB)

Wemple, R.P.; Meyer, R.D. [Sandia National Labs., Albuquerque, NM (United States); Layne, R.R. [Charles Machine Works, Inc., Perry, OK (United States)

1994-02-01

Concern for the environment and cost reduction are the driving forces for a broad effort in government and the private sector to develop new, more cost-effective technologies for characterizing, monitoring and remediating environmental sites. Secondary goals of the characterization, monitoring and remediation (CMR) activity are: minimize secondary waste generation, minimize site impact, protect water tables, and develop methods/strategies to apply new technologies. The Sandia National Laboratories (SNL) project in directional boring for CMR of waste sites with enhanced machinery from the underground utility installation industry was initiated in 1990. Preliminary activities included surveying the directional drilling access needs of various DOE sites, identifying an existing class of machinery that could be enhanced for environmental work through development, and establishing a mutually beneficial working relationship with an industry partner. Since that time the project has tested a variety of prototype machinery and hardware built by the industrial partner, and SNL. The project continues to test and develop the machinery and technique refinements needed for future applications at DOE, DOD, and private sector sites. The original goal of cost-effectiveness is being met through innovation, adaptation, and application of fundamental concepts. Secondary goals are being met via a basic philosophy of ``cut/thrust and compact cuttings without adding large quantities of fluid`` to an environmental problem site. Technology transfer to the private sector is ongoing and ultimately should result in commercial availability of the machinery. Education of regulatory agencies resulting in restructuring appropriate regulatory standards for specification of the horizontal drilling techniques will be a final project goal.

Current Capabilities at SNL for the Integration of Small Modular Reactors onto Smart Microgrids Using Sandia's Smart Microgrid Technology High Performance Computing and Advanced Manufacturing.

Energy Technology Data Exchange (ETDEWEB)

Rodriguez, Salvador B. [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)

2017-05-01

Smart grids are a crucial component for enabling the nation’s future energy needs, as part of a modernization effort led by the Department of Energy. Smart grids and smart microgrids are being considered in niche applications, and as part of a comprehensive energy strategy to help manage the nation’s growing energy demands, for critical infrastructures, military installations, small rural communities, and large populations with limited water supplies. As part of a far-reaching strategic initiative, Sandia National Laboratories (SNL) presents herein a unique, three-pronged approach to integrate small modular reactors (SMRs) into microgrids, with the goal of providing economically-competitive, reliable, and secure energy to meet the nation’s needs. SNL’s triad methodology involves an innovative blend of smart microgrid technology, high performance computing (HPC), and advanced manufacturing (AM). In this report, Sandia’s current capabilities in those areas are summarized, as well as paths forward that will enable DOE to achieve its energy goals. In the area of smart grid/microgrid technology, Sandia’s current computational capabilities can model the entire grid, including temporal aspects and cyber security issues. Our tools include system development, integration, testing and evaluation, monitoring, and sustainment.

An overview of equipment survivability studies at Sandia National Laboratories (SNL)

International Nuclear Information System (INIS)

Bonzon, L.L.; Craft, Ch.M.; McCulloch, W.H.; Sebrell, W.A.

1983-01-01

The USNRC sponsors a number of programs at Sandia National Laboratories (SNL) specifically addressing safety-related equipment survivability. The major thrust of these programs has been the physical testing of equipment. Test results illustrate the importance of a dedicated equipment design effort giving particular attention to the safety implications of the equipment operation. Several equipment survivability tests here have revealed equipment design and test-related deficiencies

Calculations of the SNL experiments Sup1 and Sup2 with CONTAIN 2

International Nuclear Information System (INIS)

Jacobs, G.; Noebel, R.; Wendlandt, T.

2000-01-01

Post-test calculations using the CONTAIN code were performed for the SNL melt dispersal/DCH tests SUP-1 und SUP-2, resulting in a workable input model for future applications to high-temperature melt dispersal experiments as well as for prototypes with tight annular reactor cavity geometries. (orig.) [de

Computer Security for Commercial Nuclear Power Plants - Literature Review for Korea Hydro Nuclear Power Central Research Institute

Energy Technology Data Exchange (ETDEWEB)

Duran, Felicia Angelica [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States). Security Systems Analysis Dept.; Waymire, Russell L. [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States). Security Systems Analysis Dept.

2013-10-01

Sandia National Laboratories (SNL) is providing training and consultation activities on security planning and design for the Korea Hydro and Nuclear Power Central Research Institute (KHNPCRI). As part of this effort, SNL performed a literature review on computer security requirements, guidance and best practices that are applicable to an advanced nuclear power plant. This report documents the review of reports generated by SNL and other organizations [U.S. Nuclear Regulatory Commission, Nuclear Energy Institute, and International Atomic Energy Agency] related to protection of information technology resources, primarily digital controls and computer resources and their data networks. Copies of the key documents have also been provided to KHNP-CRI.

Computer Security for Commercial Nuclear Power Plants - Literature Review for Korea Hydro Nuclear Power Central Research Institute

International Nuclear Information System (INIS)

Duran, Felicia Angelica; Waymire, Russell L.

2013-01-01

Sandia National Laboratories (SNL) is providing training and consultation activities on security planning and design for the Korea Hydro and Nuclear Power Central Research Institute (KHNPCRI). As part of this effort, SNL performed a literature review on computer security requirements, guidance and best practices that are applicable to an advanced nuclear power plant. This report documents the review of reports generated by SNL and other organizations [U.S. Nuclear Regulatory Commission, Nuclear Energy Institute, and International Atomic Energy Agency] related to protection of information technology resources, primarily digital controls and computer resources and their data networks. Copies of the key documents have also been provided to KHNP-CRI.

Remote monitoring technologies and applications. JAEA-SNL technical cooperation experience in RM for nuclear transparency

International Nuclear Information System (INIS)

Matter, John

2006-01-01

In ten years of remote monitoring cooperation, Sandia National Laboratories (SNL) and the JAEA (formerly JNC) have developed technology and demonstrated it at the Joyo Experimental Reactor. The program goals were to develop technology to support international safeguards, help evaluate and standardize the technologies for safeguards uses, and demonstrate them for potential regional cooperation. This paper described three generations of remote monitoring systems at the Joyo Fresh Storage and at one of the Joyo Spent Fuel Ponds. Communications and control methods within the facility and between the facility and the remote viewer have changed rapidly. The current configuration is similar to an international safeguards installation, but provides a foundation for transparency cooperation between the JAEA and SNL. Plans to expand this cooperation to other partners are noted. (author)

FY17 Accomplishments - Testing Facilities and Capabilities at SWiFT, SNL

Energy Technology Data Exchange (ETDEWEB)

Berg, Jonathan Charles [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)

2017-10-01

The Scaled Wind Farm Technologies (SWiFT) facility operated by Sandia National Laboratories (SNL) has, in support of the Atmosphere to electrons (A2e) research program, acquired measurements of wind turbine wake dynamics under various atmospheric conditions and while interacting with a downstream wind turbine. SNL researchers, in collaboration with National Renewable Energy Laboratory (NREL) researchers, installed a customized LIDAR system created by the Technical University of Denmark (DTU) in one of the SWiFT wind turbines (Figure 1) and operated that turbine with intentional yaw-versus-winddirection misalignment to study the behavior of the turbine wake under numerous combinations of atmospheric conditions and turbine yaw offsets. The DTU-customized LIDAR provided detailed measurements of the wake’s shape and location at many distances downwind of the turbine (Figure 2). These measurements will benefit wind energy researchers looking to understand wind turbine wake behavior and improve modeling and simulation of wake dynamics, including the “wake steering” affect that is observed when turbine yaw offset is controlled. During the test campaign, two SWiFT wind turbines were operated at the same time to observe the influence of the turbines on each other as the wake of the upwind turbine was observed sweeping over and interacting with the downwind turbine.

An overview of equipment survivability studies at Sandia National Labs. (SNL): Chapter 3

International Nuclear Information System (INIS)

Bonzon, L.L.; Craft, C.M.; McCulloch, W.H.; Sebrell, W.A.

1983-01-01

The USNRC sponsors a number of programs at Sandia National Laboratories (SNL) specifically addressing safety-related equipment survivability. The major thrust of these programs has been the physical testing of equipment. Test results illustrate the importance of a dedicated equipment design effort giving particular attention to the safety implications of the equipment operation. Several equipment survivability tests here have revealed equipment design and test-related deficiencies

76 FR 50212 - Site-Wide Environmental Impact Statement for Sandia National Laboratories, New Mexico (SNL/NM)

Science.gov (United States)

2011-08-12

... Environmental Impact Statement for Sandia National Laboratories, New Mexico (DOE/EIS-0281-SA-04), DOE/NNSA... Environmental Impact Statement for Sandia National Laboratories, New Mexico for the Installation of a Petawatt..., New Mexico Final Supplement Analysis for the Site-Wide Environmental Impact Statement (2006 SNL/NM...

Computational Continuum Mechanics

CERN Document Server

Shabana, Ahmed A

2011-01-01

This text presents the theory of continuum mechanics using computational methods. Ideal for students and researchers, the second edition features a new chapter on computational geometry and finite element analysis.

Quantum-mechanical computers and uncomputability

International Nuclear Information System (INIS)

Lloyd, S.

1993-01-01

The time evolution operator for any quantum-mechanical computer is diagonalizable, but to obtain the diagonal decomposition of a program state of the computer is as hard as actually performing the computation corresponding to the program. In particular, if a quantum-mechanical system is capable of universal computation, then the diagonal decomposition of program states is uncomputable. As a result, in a universe in which local variables support universal computation, a quantum-mechanical theory for that universe that supplies its spectrum cannot supply the spectral decomposition of the computational variables. A ''theory of everything'' can be simultaneously correct and fundamentally incomplete

Pollution Prevention Opportunity Assessment for the SNL/NM cafeterias.

Energy Technology Data Exchange (ETDEWEB)

McCord, Samuel Adam

2005-12-01

This Pollution Prevention Opportunity Assessment (PPOA) was conducted for the two Sandia National Laboratories/New Mexico cafeteria facilities between May and August 2005. The primary purpose of this PPOA is to assess waste and resource reduction opportunities and issue Pollution Prevention (P2) recommendations for Sandia's food service facilities. This PPOA contains recommendations for energy, water and resource reduction, as well as material substitution based upon environmentally preferable purchasing. Division 3000 has requested the PPOA report as part of the Division's compliance effort to implement the Environmental Management System (EMS) per DOE Order 450.1. This report contains a summary of the information collected and analyses performed with recommended options for implementation. The SNL/NM P2 Group will work with Division 3000 and the respective cafeteria facilities to implement these options.

Detection System of Sound Noise Level (SNL) Based on Condenser Microphone Sensor

Science.gov (United States)

Rajagukguk, Juniastel; Eka Sari, Nurdieni

2018-03-01

The research aims to know the noise level by using the Arduino Uno as data processing input from sensors and called as Sound Noise Level (SNL). The working principle of the instrument is as noise detector with the show notifications the noise level on the LCD indicator and in the audiovisual form. Noise detection using the sensor is a condenser microphone and LM 567 as IC op-amps, which are assembled so that it can detect the noise, which sounds are captured by the sensor will turn the tide of sinusoida voice became sine wave energy electricity (altering sinusoida electric current) that is able to responded to complaints by the Arduino Uno. The tool is equipped with a detector consists of a set indicator LED and sound well as the notification from the text on LCD 16*2. Work setting indicators on the condition that, if the measured noise > 75 dB then sound will beep, the red LED will light up indicating the status of the danger. If the measured value on the LCD is higher than 56 dB, sound indicator will be beep and yellow LED will be on indicating noisy. If the noise measured value <55 dB, sound indicator will be quiet indicating peaceful from noisy. From the result of the research can be explained that the SNL is capable to detecting and displaying noise level with a measuring range 50-100 dB and capable to delivering the notification noise in audiovisual.

Sandia National Laboratories Advanced Simulation and Computing (ASC) software quality plan : ASC software quality engineering practices Version 3.0.

Energy Technology Data Exchange (ETDEWEB)

Turgeon, Jennifer L.; Minana, Molly A.; Hackney, Patricia; Pilch, Martin M.

2009-01-01

The purpose of the Sandia National Laboratories (SNL) Advanced Simulation and Computing (ASC) Software Quality Plan is to clearly identify the practices that are the basis for continually improving the quality of ASC software products. Quality is defined in the US Department of Energy/National Nuclear Security Agency (DOE/NNSA) Quality Criteria, Revision 10 (QC-1) as 'conformance to customer requirements and expectations'. This quality plan defines the SNL ASC Program software quality engineering (SQE) practices and provides a mapping of these practices to the SNL Corporate Process Requirement (CPR) 001.3.6; 'Corporate Software Engineering Excellence'. This plan also identifies ASC management's and the software project teams responsibilities in implementing the software quality practices and in assessing progress towards achieving their software quality goals. This SNL ASC Software Quality Plan establishes the signatories commitments to improving software products by applying cost-effective SQE practices. This plan enumerates the SQE practices that comprise the development of SNL ASC's software products and explains the project teams opportunities for tailoring and implementing the practices.

RADTRAN 5: A computer code for transportation risk analysis

International Nuclear Information System (INIS)

Neuhauser, K.S.; Kanipe, F.L.

1991-01-01

RADTRAN 5 is a computer code developed at Sandia National Laboratories (SNL) in Albuquerque, NM, to estimate radiological and nonradiological risks of radioactive materials transportation. RADTRAN 5 is written in ANSI Standard FORTRAN 77 and contains significant advances in the methodology for route-specific analysis first developed by SNL for RADTRAN 4 (Neuhauser and Kanipe, 1992). Like the previous RADTRAN codes, RADTRAN 5 contains two major modules for incident-free and accident risk amlysis, respectively. All commercially important transportation modes may be analyzed with RADTRAN 5: highway by combination truck; highway by light-duty vehicle; rail; barge; ocean-going ship; cargo air; and passenger air

Identification of remediation needs and technology development focus areas for the Environmental Restoration (ER) Project at Sandia National Laboratories/New Mexico (SNL/NM)

International Nuclear Information System (INIS)

Tucker, M.D.

1995-06-01

The Environmental Restoration (ER) Project has been tasked with the characterization, assessment, remediation and long-term monitoring of contaminated waste sites at Sandia National Laboratories/New Mexico (SNL/NM). Many of these sites will require remediation which will involve the use of baseline technologies, innovative technologies that are currently under development, and new methods which will be developed in the near future. The Technology Applications Program (TAP) supports the ER Project and is responsible for development of new technologies for use at the contaminated waste sites, including technologies that will be used for remediation and restoration of these sites. The purpose of this report is to define the remediation needs of the ER Project and to identify those remediation needs for which the baseline technologies and the current development efforts are inadequate. The area between the remediation needs and the existing baseline/innovative technology base represents a technology gap which must be filled in order to remediate contaminated waste sites at SNL/NM economically and efficiently. In the first part of this report, the remediation needs of the ER Project are defined by both the ER Project task leaders and by TAP personnel. The next section outlines the baseline technologies, including EPA defined Best Demonstrated Available Technologies (BDATs), that are applicable at SNL/NM ER sites. This is followed by recommendations of innovative technologies that are currently being developed that may also be applicable at SNL/NM ER sites. Finally, the gap between the existing baseline/innovative technology base and the remediation needs is identified. This technology gap will help define the future direction of technology development for the ER Project

Computational mechanics research at ONR

International Nuclear Information System (INIS)

Kushner, A.S.

1986-01-01

Computational mechanics is not an identified program at the Office of Naval Research (ONR), but rather plays a key role in the Solid Mechanics, Fluid Mechanics, Energy Conversion, and Materials Science programs. The basic philosophy of the Mechanics Division at ONR is to support fundamental research which expands the basis for understanding, predicting, and controlling the behavior of solid and fluid materials and systems at the physical and geometric scales appropriate to the phenomena of interest. It is shown in this paper that a strong commonalty of computational mechanics drivers exists for the forefront research areas in both solid and fluid mechanics

PREFACE: 9th World Congress on Computational Mechanics and 4th Asian Pacific Congress on Computational Mechanics

Science.gov (United States)

Khalili, N.; Valliappan, S.; Li, Q.; Russell, A.

2010-07-01

The use for mathematical models of natural phenomena has underpinned science and engineering for centuries, but until the advent of modern computers and computational methods, the full utility of most of these models remained outside the reach of the engineering communities. Since World War II, advances in computational methods have transformed the way engineering and science is undertaken throughout the world. Today, theories of mechanics of solids and fluids, electromagnetism, heat transfer, plasma physics, and other scientific disciplines are implemented through computational methods in engineering analysis, design, manufacturing, and in studying broad classes of physical phenomena. The discipline concerned with the application of computational methods is now a key area of research, education, and application throughout the world. In the early 1980's, the International Association for Computational Mechanics (IACM) was founded to promote activities related to computational mechanics and has made impressive progress. The most important scientific event of IACM is the World Congress on Computational Mechanics. The first was held in Austin (USA) in 1986 and then in Stuttgart (Germany) in 1990, Chiba (Japan) in 1994, Buenos Aires (Argentina) in 1998, Vienna (Austria) in 2002, Beijing (China) in 2004, Los Angeles (USA) in 2006 and Venice, Italy; in 2008. The 9th World Congress on Computational Mechanics is held in conjunction with the 4th Asian Pacific Congress on Computational Mechanics under the auspices of Australian Association for Computational Mechanics (AACM), Asian Pacific Association for Computational Mechanics (APACM) and International Association for Computational Mechanics (IACM). The 1st Asian Pacific Congress was in Sydney (Australia) in 2001, then in Beijing (China) in 2004 and Kyoto (Japan) in 2007. The WCCM/APCOM 2010 publications consist of a printed book of abstracts given to delegates, along with 247 full length peer reviewed papers published with

Summary of FY 17 Assessments Sandia National Laboratories: Evaluation of FY16 SNL FCT M2 Milestone Deliverables

Energy Technology Data Exchange (ETDEWEB)

Appel, Gordon John

2017-03-01

This report is the milestone deliverable M4FT-17SN111102091 “Summary of Assessments Performed FY17 by SNL QA POC” for work package FT-17SN11110209 titled “Quality Assurance – SNL”. This report summarizes the FY17 assessment performed on Fuel Cycle Technologies / Spent Fuel and Waste Disposition efforts.

Quantum mechanics and computation

International Nuclear Information System (INIS)

Cirac Sasturain, J. I.

2000-01-01

We review how some of the basic principles of Quantum Mechanics can be used in the field of computation. In particular, we explain why a quantum computer can perform certain tasks in a much more efficient way than the computers we have available nowadays. We give the requirements for a quantum system to be able to implement a quantum computer and illustrate these requirements in some particular physical situations. (Author) 16 refs

Algorithmic Mechanism Design of Evolutionary Computation.

Science.gov (United States)

Pei, Yan

2015-01-01

We consider algorithmic design, enhancement, and improvement of evolutionary computation as a mechanism design problem. All individuals or several groups of individuals can be considered as self-interested agents. The individuals in evolutionary computation can manipulate parameter settings and operations by satisfying their own preferences, which are defined by an evolutionary computation algorithm designer, rather than by following a fixed algorithm rule. Evolutionary computation algorithm designers or self-adaptive methods should construct proper rules and mechanisms for all agents (individuals) to conduct their evolution behaviour correctly in order to definitely achieve the desired and preset objective(s). As a case study, we propose a formal framework on parameter setting, strategy selection, and algorithmic design of evolutionary computation by considering the Nash strategy equilibrium of a mechanism design in the search process. The evaluation results present the efficiency of the framework. This primary principle can be implemented in any evolutionary computation algorithm that needs to consider strategy selection issues in its optimization process. The final objective of our work is to solve evolutionary computation design as an algorithmic mechanism design problem and establish its fundamental aspect by taking this perspective. This paper is the first step towards achieving this objective by implementing a strategy equilibrium solution (such as Nash equilibrium) in evolutionary computation algorithm.

Computational structural mechanics for engine structures

Science.gov (United States)

Chamis, C. C.

1989-01-01

The computational structural mechanics (CSM) program at Lewis encompasses: (1) fundamental aspects for formulating and solving structural mechanics problems, and (2) development of integrated software systems to computationally simulate the performance/durability/life of engine structures. It is structured to mainly supplement, complement, and whenever possible replace, costly experimental efforts which are unavoidable during engineering research and development programs. Specific objectives include: investigate unique advantages of parallel and multiprocesses for: reformulating/solving structural mechanics and formulating/solving multidisciplinary mechanics and develop integrated structural system computational simulators for: predicting structural performances, evaluating newly developed methods, and for identifying and prioritizing improved/missing methods needed. Herein the CSM program is summarized with emphasis on the Engine Structures Computational Simulator (ESCS). Typical results obtained using ESCS are described to illustrate its versatility.

Technical basis for environmental qualification of computer-based safety systems in nuclear power plants

International Nuclear Information System (INIS)

Korsah, K.; Wood, R.T.; Tanaka, T.J.; Antonescu, C.E.

1997-01-01

This paper summarizes the results of research sponsored by the US Nuclear Regulatory Commission (NRC) to provide the technical basis for environmental qualification of computer-based safety equipment in nuclear power plants. This research was conducted by the Oak Ridge National Laboratory (ORNL) and Sandia National Laboratories (SNL). ORNL investigated potential failure modes and vulnerabilities of microprocessor-based technologies to environmental stressors, including electromagnetic/radio-frequency interference, temperature, humidity, and smoke exposure. An experimental digital safety channel (EDSC) was constructed for the tests. SNL performed smoke exposure tests on digital components and circuit boards to determine failure mechanisms and the effect of different packaging techniques on smoke susceptibility. These studies are expected to provide recommendations for environmental qualification of digital safety systems by addressing the following: (1) adequacy of the present preferred test methods for qualification of digital I and C systems; (2) preferred standards; (3) recommended stressors to be included in the qualification process during type testing; (4) resolution of need for accelerated aging in qualification testing for equipment that is to be located in mild environments; and (5) determination of an appropriate approach to address smoke in a qualification program

Report on SNL RCBC control options

Energy Technology Data Exchange (ETDEWEB)

Ponciroli, R. [Argonne National Lab. (ANL), Argonne, IL (United States); Vilim, R. B. [Argonne National Lab. (ANL), Argonne, IL (United States)

2017-09-30

The attractive performance of the S-CO₂ recompression cycle arises from the thermo-physical properties of carbon dioxide near the critical point. However, to ensure efficient operation of the cycle near the critical point, precise control of the heat removal rate by the Printed Circuit Heat Exchanger (PCHE) upstream of the main compressor is required. Accomplishing this task is not trivial because of the large variations in fluid properties with respect to temperature and pressure near the critical point. The use of a model-based approach for the design of a robust feedback regulator is being investigated to achieve acceptable control of heat removal rate at different operating conditions. A first step in this procedure is the development of a dynamic model of the heat exchanger. In this work, a one-dimensional (1-D) control-oriented model of the PCHE was developed using the General Plant Analyzer and System Simulator (GPASS) code. GPASS is a transient simulation code that supports analysis and control of power conversion cycles based on the S-CO₂ Brayton cycle. This modeling capability was used this fiscal year to analyze experiment data obtained from the heat exchanger in the SNL recompression Brayton cycle. The analysis suggested that the error in the water flowrate measurement was greater than required for achieving precise control of heat removal rate. Accordingly, a new water flowmeter was installed, significantly improving the quality of the measurement. Comparison of heat exchanger measurements in subsequent experiments with code simulations yielded good agreement establishing a reliable basis for the use of the GPASS PCHE model for future development of a model-based feedback controller.

Radiological Dose Calculations And Supplemental Dose Assessment Data For Neshap Compliance For SNL Nevada Facilities 1996.

Energy Technology Data Exchange (ETDEWEB)

None, None

2017-05-01

Operations of Sandia National Laboratories, Nevada (SNL/NV) at the Tonopah Test Range (TTR) resulted in no planned point radiological releases during 1996. Other releases from SNL/NV included diffuse transuranic sources consisting of the three Clean Slate sites. Air emissions from these sources result from wind resuspension of near-surface transuranic contaminated soil particulates. The total area of contamination has been estimated to exceed 20 million square meters. Soil contamination was documented in an aerial survey program in 1977 (EG&G 1979). Surface contamination levels were generally found to be below 400 pCi/g of combined plutonium-238, plutonium-239, plutonium-240, and americium-241 (i.e., transuranic) activity. Hot spot areas contain up to 43,000 pCi/g of transuranic activity. Recent measurements confirm the presence of significant levels of transuranic activity in the surface soil. An annual diffuse source term of 0.39 Ci of transuranic material was calculated for the cumulative release from all three Clean Slate sites. A maximally exposed individual dose of 1.1 mrem/yr at the TTR airport area was estimated based on the 1996 diffuse source release amounts and site-specific meteorological data. A population dose of 0.86 person-rem/yr was calculated for the local residents. Both dose values were attributable to inhalation of transuranic contaminated dust.

Elucidating reaction mechanisms on quantum computers

Science.gov (United States)

Reiher, Markus; Wiebe, Nathan; Svore, Krysta M.; Wecker, Dave; Troyer, Matthias

2017-01-01

With rapid recent advances in quantum technology, we are close to the threshold of quantum devices whose computational powers can exceed those of classical supercomputers. Here, we show that a quantum computer can be used to elucidate reaction mechanisms in complex chemical systems, using the open problem of biological nitrogen fixation in nitrogenase as an example. We discuss how quantum computers can augment classical computer simulations used to probe these reaction mechanisms, to significantly increase their accuracy and enable hitherto intractable simulations. Our resource estimates show that, even when taking into account the substantial overhead of quantum error correction, and the need to compile into discrete gate sets, the necessary computations can be performed in reasonable time on small quantum computers. Our results demonstrate that quantum computers will be able to tackle important problems in chemistry without requiring exorbitant resources. PMID:28674011

Elucidating reaction mechanisms on quantum computers

Science.gov (United States)

Reiher, Markus; Wiebe, Nathan; Svore, Krysta M.; Wecker, Dave; Troyer, Matthias

2017-07-01

With rapid recent advances in quantum technology, we are close to the threshold of quantum devices whose computational powers can exceed those of classical supercomputers. Here, we show that a quantum computer can be used to elucidate reaction mechanisms in complex chemical systems, using the open problem of biological nitrogen fixation in nitrogenase as an example. We discuss how quantum computers can augment classical computer simulations used to probe these reaction mechanisms, to significantly increase their accuracy and enable hitherto intractable simulations. Our resource estimates show that, even when taking into account the substantial overhead of quantum error correction, and the need to compile into discrete gate sets, the necessary computations can be performed in reasonable time on small quantum computers. Our results demonstrate that quantum computers will be able to tackle important problems in chemistry without requiring exorbitant resources.

Elucidating reaction mechanisms on quantum computers.

Science.gov (United States)

Reiher, Markus; Wiebe, Nathan; Svore, Krysta M; Wecker, Dave; Troyer, Matthias

2017-07-18

With rapid recent advances in quantum technology, we are close to the threshold of quantum devices whose computational powers can exceed those of classical supercomputers. Here, we show that a quantum computer can be used to elucidate reaction mechanisms in complex chemical systems, using the open problem of biological nitrogen fixation in nitrogenase as an example. We discuss how quantum computers can augment classical computer simulations used to probe these reaction mechanisms, to significantly increase their accuracy and enable hitherto intractable simulations. Our resource estimates show that, even when taking into account the substantial overhead of quantum error correction, and the need to compile into discrete gate sets, the necessary computations can be performed in reasonable time on small quantum computers. Our results demonstrate that quantum computers will be able to tackle important problems in chemistry without requiring exorbitant resources.

Computational Biochemistry-Enzyme Mechanisms Explored.

Science.gov (United States)

Culka, Martin; Gisdon, Florian J; Ullmann, G Matthias

2017-01-01

Understanding enzyme mechanisms is a major task to achieve in order to comprehend how living cells work. Recent advances in biomolecular research provide huge amount of data on enzyme kinetics and structure. The analysis of diverse experimental results and their combination into an overall picture is, however, often challenging. Microscopic details of the enzymatic processes are often anticipated based on several hints from macroscopic experimental data. Computational biochemistry aims at creation of a computational model of an enzyme in order to explain microscopic details of the catalytic process and reproduce or predict macroscopic experimental findings. Results of such computations are in part complementary to experimental data and provide an explanation of a biochemical process at the microscopic level. In order to evaluate the mechanism of an enzyme, a structural model is constructed which can be analyzed by several theoretical approaches. Several simulation methods can and should be combined to get a reliable picture of the process of interest. Furthermore, abstract models of biological systems can be constructed combining computational and experimental data. In this review, we discuss structural computational models of enzymatic systems. We first discuss various models to simulate enzyme catalysis. Furthermore, we review various approaches how to characterize the enzyme mechanism both qualitatively and quantitatively using different modeling approaches. © 2017 Elsevier Inc. All rights reserved.

Cartoon computation: quantum-like computing without quantum mechanics

International Nuclear Information System (INIS)

Aerts, Diederik; Czachor, Marek

2007-01-01

We present a computational framework based on geometric structures. No quantum mechanics is involved, and yet the algorithms perform tasks analogous to quantum computation. Tensor products and entangled states are not needed-they are replaced by sets of basic shapes. To test the formalism we solve in geometric terms the Deutsch-Jozsa problem, historically the first example that demonstrated the potential power of quantum computation. Each step of the algorithm has a clear geometric interpretation and allows for a cartoon representation. (fast track communication)

Sandia National Laboratories Advanced Simulation and Computing (ASC) software quality plan. Part 1 : ASC software quality engineering practices version 1.0.

Energy Technology Data Exchange (ETDEWEB)

Minana, Molly A.; Sturtevant, Judith E.; Heaphy, Robert; Hodges, Ann Louise; Boucheron, Edward A.; Drake, Richard Roy; Forsythe, Christi A.; Schofield, Joseph Richard, Jr.; Pavlakos, Constantine James; Williamson, Charles Michael; Edwards, Harold Carter

2005-01-01

The purpose of the Sandia National Laboratories (SNL) Advanced Simulation and Computing (ASC) Software Quality Plan is to clearly identify the practices that are the basis for continually improving the quality of ASC software products. Quality is defined in DOE/AL Quality Criteria (QC-1) as conformance to customer requirements and expectations. This quality plan defines the ASC program software quality practices and provides mappings of these practices to the SNL Corporate Process Requirements (CPR 1.3.2 and CPR 1.3.6) and the Department of Energy (DOE) document, ASCI Software Quality Engineering: Goals, Principles, and Guidelines (GP&G). This quality plan identifies ASC management and software project teams' responsibilities for cost-effective software engineering quality practices. The SNL ASC Software Quality Plan establishes the signatories commitment to improving software products by applying cost-effective software engineering quality practices. This document explains the project teams opportunities for tailoring and implementing the practices; enumerates the practices that compose the development of SNL ASC's software products; and includes a sample assessment checklist that was developed based upon the practices in this document.

Experimental evaluation of the MIT-SNL period-generated minimum time control laws for the rapid adjustment of reactor power

International Nuclear Information System (INIS)

Bernard, J.A.; Kwok, K.S.; Menadier, P.T.; Thome, F.V.; Wyant, F.J.

1987-01-01

The rapid adjustment of reactor neutronic power has recently been achieved by developing control laws that determine the actuator mechanism velocity necessary to produce a specified reactor period. Designated as the 'MIT-SNL Period-Generated Minimum Time Control Laws,' these relations are closed-form expressions of general applicability. In particular, if there is no limitation on the available rate of change of reactivity, these laws can be used to achieve virtually any desired power profile including time optimal ones. The innovative aspect of these laws is that the rate of change of reactivity rather than the reactivity itself is used as the control signal. For example, relative to a time-optimal response, these laws function by altering the rate of change of reactivity so that the instantaneous period is stepped from infinity to its minimum allowed value, held at that value until the desired power level is attained, and then stepped back to infinity. The response is time-optimal because the power adjustment is continuously made at the maximum allowed rate

Upregulation of EMMPRIN (OX47 in Rat Dorsal Root Ganglion Contributes to the Development of Mechanical Allodynia after Nerve Injury

Directory of Open Access Journals (Sweden)

Qun Wang

2015-01-01

Full Text Available Matrix metalloproteinases (MMPs are widely implicated in inflammation and tissue remodeling associated with various neurodegenerative diseases and play an important role in nociception and allodynia. Extracellular Matrix Metalloproteinase Inducer (EMMPRIN plays a key regulatory role for MMP activities. However, the role of EMMPRIN in the development of neuropathic pain is not clear. Western blotting, real-time quantitative RT-PCR (qRT-PCR, and immunofluorescence were performed to determine the changes of messenger RNA and protein of EMMPRIN/OX47 and their cellular localization in the rat dorsal root ganglion (DRG after nerve injury. Paw withdrawal threshold test was examined to evaluate the pain behavior in spinal nerve ligation (SNL model. The lentivirus containing OX47 shRNA was injected into the DRG one day before SNL. The expression level of both mRNA and protein of OX47 was markedly upregulated in ipsilateral DRG after SNL. OX47 was mainly expressed in the extracellular matrix of DRG. Administration of shRNA targeted against OX47 in vivo remarkably attenuated mechanical allodynia induced by SNL. In conclusion, peripheral nerve injury induced upregulation of OX47 in the extracellular matrix of DRG. RNA interference against OX47 significantly suppressed the expression of OX47 mRNA and the development of mechanical allodynia. The altered expression of OX47 may contribute to the development of neuropathic pain after nerve injury.

Low Frequency Electroacupuncture Alleviated Spinal Nerve Ligation Induced Mechanical Allodynia by Inhibiting TRPV1 Upregulation in Ipsilateral Undamaged Dorsal Root Ganglia in Rats

Directory of Open Access Journals (Sweden)

Yong-Liang Jiang

2013-01-01

Full Text Available Neuropathic pain is an intractable problem in clinical practice. Accumulating evidence shows that electroacupuncture (EA with low frequency can effectively relieve neuropathic pain. Transient receptor potential vanilloid type 1 (TRPV1 plays a key role in neuropathic pain. The study aimed to investigate whether neuropathic pain relieved by EA administration correlates with TRPV1 inhibition. Neuropathic pain was induced by right L5 spinal nerve ligation (SNL in rats. 2 Hz EA stimulation was administered. SNL induced mechanical allodynia in ipsilateral hind paw. SNL caused a significant reduction of TRPV1 expression in ipsilateral L5 dorsal root ganglia (DRG, but a significant up-regulation in ipsilateral L4 and L6 DRGs. Calcitonin gene-related peptide (CGRP change was consistent with that of TRPV1. EA alleviated mechanical allodynia, and inhibited TRPV1 and CGRP overexpressions in ipsilateral L4 and L6 DRGs. SNL did not decrease pain threshold of contralateral hind paw, and TRPV1 expression was not changed in contralateral L5 DRG. 0.001, 0.01 mg/kg TRPV1 agonist 6′-IRTX fully blocked EA analgesia in ipsilateral hind paw. 0.01 mg/kg 6′-IRTX also significantly decreased pain threshold of contralateral paw. These results indicated that inhibition of TRPV1 up-regulation in ipsilateral adjacent undamaged DRGs contributed to low frequency EA analgesia for mechanical allodynia induced by spinal nerve ligation.

Sn-L3 EDGE and Fe K edge XANES spectra of the surface layer of ancient Chinese black mirror Heiqigu

International Nuclear Information System (INIS)

Gaowei Mengjia; Liu Yuzhen; Chu Wangsheng; Wu Ziyu; Wang Changsui

2009-01-01

The Chinese ancient black mirror known as Heiqigu was studied by x-ray-absorption near-edge structure spectroscopy and results were reported. The Sn-L 3 edge and Fe K edge spectra further confirmed the Schottky-type defect model in the Heiqigu surface system. And it was suggested that the surface layer of the mirror was a combined structure of oxidation of Sn(IV) and Sn(II). (authors)

Characterization, minimization and disposal of radioactive, hazardous, and mixed wastes during cleanup and rransition of the Tritium Research Laboratory (TRL) at Sandia National Laboratories/California (SNL/CA)

International Nuclear Information System (INIS)

Garcia, T.B.; Gorman, T.P.

1996-12-01

This document provides an outline of waste handling practices used during the Sandia National Laboratory/California (SNL/CA), Tritium Research Laboratory (TRL) Cleanup and Transition project. Here we provide background information concerning the history of the TRL and the types of operations that generated the waste. Listed are applicable SNL/CA site-wide and TRL local waste handling related procedures. We describe personnel training practices and outline methods of handling and disposal of compactible and non-compactible low level waste, solidified waste water, hazardous wastes and mixed wastes. Waste minimization, reapplication and recycling practices are discussed. Finally, we provide a description of the process followed to remove the highly contaminated decontamination systems. This document is intended as both a historical record and as a reference to other facilities who may be involved in similar work

Computing With Quantum Mechanical Oscillators

National Research Council Canada - National Science Library

Parks, A

1991-01-01

Despite the obvious practical considerations (e.g., stability, controllability), certain quantum mechanical systems seem to naturally lend themselves in a theoretical sense to the task of performing computations...

Fracture mechanics based design for radioactive material transport packagings -- Historical review

International Nuclear Information System (INIS)

Smith, J.A.; Salzbrenner, D.; Sorenson, K.; McConnell, P.

1998-04-01

The use of a fracture mechanics based design for the radioactive material transport (RAM) packagings has been the subject of extensive research for more than a decade. Sandia National Laboratories (SNL) has played an important role in the research and development of the application of this technology. Ductile iron has been internationally accepted as an exemplary material for the demonstration of a fracture mechanics based method of RAM packaging design and therefore is the subject of a large portion of the research discussed in this report. SNL's extensive research and development program, funded primarily by the U. S. Department of Energy's Office of Transportation, Energy Management and Analytical Services (EM-76) and in an auxiliary capacity, the office of Civilian Radioactive Waste Management, is summarized in this document along with a summary of the research conducted at other institutions throughout the world. In addition to the research and development work, code and standards development and regulatory positions are also discussed

Institute for Computational Mechanics in Propulsion (ICOMP)

Science.gov (United States)

Keith, Theo G., Jr. (Editor); Balog, Karen (Editor); Povinelli, Louis A. (Editor)

2001-01-01

The Institute for Computational Mechanics in Propulsion (ICOMP) was formed to develop techniques to improve problem-solving capabilities in all aspects of computational mechanics related to propulsion. ICOMP is operated by the Ohio Aerospace Institute (OAI) and funded via numerous cooperative agreements by the NASA Glenn Research Center in Cleveland, Ohio. This report describes the activities at ICOMP during 1999, the Institute's fourteenth year of operation.

Control mechanism of double-rotator-structure ternary optical computer

Science.gov (United States)

Kai, SONG; Liping, YAN

2017-03-01

Double-rotator-structure ternary optical processor (DRSTOP) has two characteristics, namely, giant data-bits parallel computing and reconfigurable processor, which can handle thousands of data bits in parallel, and can run much faster than computers and other optical computer systems so far. In order to put DRSTOP into practical application, this paper established a series of methods, namely, task classification method, data-bits allocation method, control information generation method, control information formatting and sending method, and decoded results obtaining method and so on. These methods form the control mechanism of DRSTOP. This control mechanism makes DRSTOP become an automated computing platform. Compared with the traditional calculation tools, DRSTOP computing platform can ease the contradiction between high energy consumption and big data computing due to greatly reducing the cost of communications and I/O. Finally, the paper designed a set of experiments for DRSTOP control mechanism to verify its feasibility and correctness. Experimental results showed that the control mechanism is correct, feasible and efficient.

Advanced Computational Methods in Bio-Mechanics.

Science.gov (United States)

Al Qahtani, Waleed M S; El-Anwar, Mohamed I

2018-04-15

A novel partnership between surgeons and machines, made possible by advances in computing and engineering technology, could overcome many of the limitations of traditional surgery. By extending surgeons' ability to plan and carry out surgical interventions more accurately and with fewer traumas, computer-integrated surgery (CIS) systems could help to improve clinical outcomes and the efficiency of healthcare delivery. CIS systems could have a similar impact on surgery to that long since realised in computer-integrated manufacturing. Mathematical modelling and computer simulation have proved tremendously successful in engineering. Computational mechanics has enabled technological developments in virtually every area of our lives. One of the greatest challenges for mechanists is to extend the success of computational mechanics to fields outside traditional engineering, in particular to biology, the biomedical sciences, and medicine. Biomechanics has significant potential for applications in orthopaedic industry, and the performance arts since skills needed for these activities are visibly related to the human musculoskeletal and nervous systems. Although biomechanics is widely used nowadays in the orthopaedic industry to design orthopaedic implants for human joints, dental parts, external fixations and other medical purposes, numerous researches funded by billions of dollars are still running to build a new future for sports and human healthcare in what is called biomechanics era.

Progress report of Sandia National Laboratories (SNL) contribu- tion to IAEA CRP F11016 on ?Utilization of ion accelerators for studying and modeling of radiation induced defects in semicon- ductors and insulators? 3rd RCM.

Energy Technology Data Exchange (ETDEWEB)

Vizkelethy, Gyorgy [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)

2014-10-01

This report presents the results of Sandia National Laboratories’ (SNL) contribution to IAEA CRP F11016 as mostly raw data. The goal of this CRP is to study the effects of radiation on semiconductors and insulators with the emphasis on the effect of displacement damage due to MeV energy ions on the performance of semiconductor detectors and microelectronic devices. SNL is tasked with performing electrical characterization, irradiation, and IBIC, DLTS, C-­V measurements on devices used in the CRP, as well as calculating damage and ionization profiles for modeling.

Discrete computational mechanics for stiff phenomena

KAUST Repository

Michels, Dominik L.

2016-11-28

Many natural phenomena which occur in the realm of visual computing and computational physics, like the dynamics of cloth, fibers, fluids, and solids as well as collision scenarios are described by stiff Hamiltonian equations of motion, i.e. differential equations whose solution spectra simultaneously contain extremely high and low frequencies. This usually impedes the development of physically accurate and at the same time efficient integration algorithms. We present a straightforward computationally oriented introduction to advanced concepts from classical mechanics. We provide an easy to understand step-by-step introduction from variational principles over the Euler-Lagrange formalism and the Legendre transformation to Hamiltonian mechanics. Based on such solid theoretical foundations, we study the underlying geometric structure of Hamiltonian systems as well as their discrete counterparts in order to develop sophisticated structure preserving integration algorithms to efficiently perform high fidelity simulations.

Computational modelling in fluid mechanics

International Nuclear Information System (INIS)

Hauguel, A.

1985-01-01

The modelling of the greatest part of environmental or industrial flow problems gives very similar types of equations. The considerable increase in computing capacity over the last ten years consequently allowed numerical models of growing complexity to be processed. The varied group of computer codes presented are now a complementary tool of experimental facilities to achieve studies in the field of fluid mechanics. Several codes applied in the nuclear field (reactors, cooling towers, exchangers, plumes...) are presented among others [fr

Institute for Computational Mechanics in Propulsion (ICOMP). 10

Science.gov (United States)

Keith, Theo G., Jr. (Editor); Balog, Karen (Editor); Povinelli, Louis A. (Editor)

1996-01-01

The Institute for Computational Mechanics in Propulsion (ICOMP) is operated by the Ohio Aerospace Institute (OAI) and funded under a cooperative agreement by the NASA Lewis Research Center in Cleveland, Ohio. The purpose of ICOMP is to develop techniques to improve problem-solving capabilities in all aspects of computational mechanics related to propulsion. This report describes the activities at ICOUP during 1995.

An Introduction to Computational Fluid Mechanics by Example

CERN Document Server

Biringen, Sedat

2011-01-01

This new book builds on the original classic textbook entitled: An Introduction to Computational Fluid Mechanics by C. Y. Chow which was originally published in 1979. In the decades that have passed since this book was published the field of computational fluid dynamics has seen a number of changes in both the sophistication of the algorithms used but also advances in the computer hardware and software available. This new book incorporates the latest algorithms in the solution techniques and supports this by using numerous examples of applications to a broad range of industries from mechanical

Finite element computational fluid mechanics

International Nuclear Information System (INIS)

Baker, A.J.

1983-01-01

This book analyzes finite element theory as applied to computational fluid mechanics. It includes a chapter on using the heat conduction equation to expose the essence of finite element theory, including higher-order accuracy and convergence in a common knowledge framework. Another chapter generalizes the algorithm to extend application to the nonlinearity of the Navier-Stokes equations. Other chapters are concerned with the analysis of a specific fluids mechanics problem class, including theory and applications. Some of the topics covered include finite element theory for linear mechanics; potential flow; weighted residuals/galerkin finite element theory; inviscid and convection dominated flows; boundary layers; parabolic three-dimensional flows; and viscous and rotational flows

Pollution prevention opportunity assessment for the SNL/California waste management facilities

International Nuclear Information System (INIS)

Braye, S.; Phillips, N.M.

1995-01-01

SNL/California's waste management facilities, Bldgs. 961 and 962-2, generate a secondary stream of hazardous and radioactive waste. This waste stream is generated mainly during the processing and handling of hazardous, radioactive, and mixed wastes (primary waste stream), which are generated by the laboratories, and when cleaning up spills. The secondary waste stream begins with the removal of a generator's hazardous, radioactive, and mixed waste from specified collection areas. The waste stream ends when the containers of processed waste are loaded for shipment off-site. The total amount of secondary hazardous waste generated in the waste management facilities from January 1993 to July 1994 was 1,160.6 kg. The total amount of secondary radioactive waste generated during the same period was 1,528.8 kg (with an activity of 0.070 mCi). Mixed waste usually is not generated in the secondary waste stream. This pollution prevention opportunity assessment (PPOA) was conducted using the graded approach methodology developed by the Department of Energy (DOE) PPOA task group. The original method was modified to accommodate the needs of Sandia's site-specific processes. The options generated for potential hazardous waste minimization, cost savings, and environmental health and safety were the result of a waste minimization team effort. The results of the team efforts are summarized

Computational geomechanics and applications at Sandia National Laboratories

International Nuclear Information System (INIS)

Arguello, Jose Guadalupe Jr.

2010-01-01

Sandia National Laboratories (SNL) is a multi-program national laboratory in the business of national security, whose primary mission is nuclear weapons (NW). It is a prime contractor to the USDOE, operating under the NNSA and is one of the three NW national laboratories. It has a long history of involvement in the area of geomechanics, starting with the some of the earliest weapons tests at Nevada. Projects in which geomechanics support (in general) and computational geomechanics support (in particular) are at the forefront at Sandia, range from those associated with civilian programs to those in the defense programs. SNL has had significant involvement and participation in the Waste Isolation Pilot Plant (low-level defense nuclear waste), the Yucca Mountain Project (formerly proposed for commercial spent fuel and high-level nuclear waste), and the Strategic Petroleum Reserve (the nation's emergency petroleum store). In addition, numerous industrial partners seek-out our computational/geomechanics expertise, and there are efforts in compressed air and natural gas storage, as well as in CO 2 Sequestration. Likewise, there have also been collaborative past efforts in the areas of compactable reservoir response, the response of salt structures associated with reservoirs, and basin modeling for the Oil and Gas industry. There are also efforts on the defense front, ranging from assessment of vulnerability of infrastructure to defeat of hardened targets, which require an understanding and application of computational geomechanics. Several examples from some of these areas will be described and discussed to give the audience a flavor of the type of work currently being performed at Sandia in the general area of geomechanics.

Clean-up progress at the SNL/NM Classified Waste Landfill

International Nuclear Information System (INIS)

Slavin, P.J.; Galloway, R.B.

1999-01-01

The Sandia National Laboratories/New Mexico (SNL/NM)Environmental Restoration Project is currently excavating the Classified Waste Landfill in Technical Area II, a disposal area for weapon components for approximately 40 years until it closed in 1987. Many different types of classified parts were disposed in unlined trenches and pits throughout the course of the landfill's history. A percentage of the parts contain explosives and/or radioactive components or contamination. The excavation has progressed backward chronologically from the last trenches filled through to the earlier pits. Excavation commenced in March 1998, and approximately 75 percent of the site (as defined by geophysical anomalies) has been completed as of November 1999. The material excavated consists primarily of classified weapon assemblies and related components, so disposition must include demilitarization and sanitization. This has resulted in substantial waste minimization and cost avoidance for the project as upwards of 90 percent of the classified materials are being demilitarized and recycled. The project is using field screening and lab analysis in conjunction with preliminary and in-process risk assessments to characterize soil and make waste determinations in a timely a fashion as possible. Challenges in waste management have prompted the adoption of innovative solutions. The hand-picked crew (both management and field staff) and the ability to quickly adapt to changing conditions has ensured the success of the project. The current schedule is to complete excavation in July 2000, with follow-on verification sampling, demilitarization, and waste management activities following

SNL-EFDC Simulations of Tidal Turbine-Related Changes to Hydrodynamics and Flushing

Science.gov (United States)

Roberts, J. D.; Johnson, E.; James, S. C.; Barco, J.; Jones, C.

2012-12-01

The marine and hydrokinetic (MHK) industry in the United States faces challenges associated with siting, permitting, construction, and operation of pilot- and full-scale facilities that must be addressed to accelerate environmentally sound deployment of these renewable energy technologies. Little is known about the potential effects of MHK device operation in coastal areas, estuaries, or rivers, or of the cumulative impacts of these devices on aquatic ecosystems. This lack of knowledge affects the actions of regulatory agencies, the opinions of stakeholder groups, and the commitment of energy project developers and investors. Two particularly important factors that can be used as a precursor for MHK-driven environmental changes in estuaries are the effect of decreased tidal range and flushing. For example, tidal-range changes could affect wetland systems that are only wetted under the highest of tides. Significant changes in tidal range could completely change the character of the wetlands through long-term drying. Changes to flushing must also be understood, especially when municipal wastewater and other pollutant sources are discharged into a bay. When MHK operation alters flow rates, decreased flushing of an embayment could yield increased residence times, decreased nutrient and contaminant dispersion, and even the possibility of algal blooms. Small changes to the flow could manifest as noticeable changes to sediment transport and water quality. This work provides example assessments of changes to the physical environment (i.e. currents, tidal ranges, water age, and e-folding time) potentially imposed by the operation of MHK turbine arrays in marine estuary environments using the modeling platform SNL-EFDC. Comparing model results with and without an MHK array facilitates an understanding of how an array of turbines might alter the environment. By using models to simulate water circulation, commensurate changes in water quality, benthic habitat quality, and

Computational Design of Animated Mechanical Characters

Science.gov (United States)

Coros, Stelian; Thomaszewski, Bernhard; DRZ Team Team

2014-03-01

A factor key to the appeal of modern CG movies and video-games is that the virtual worlds they portray place no bounds on what can be imagined. Rapid manufacturing devices hold the promise of bringing this type of freedom to our own world, by enabling the fabrication of physical objects whose appearance, deformation behaviors and motions can be precisely specified. In order to unleash the full potential of this technology however, computational design methods that create digital content suitable for fabrication need to be developed. In recent work, we presented a computational design system that allows casual users to create animated mechanical characters. Given an articulated character as input, the user designs the animated character by sketching motion curves indicating how they should move. For each motion curve, our framework creates an optimized mechanism that reproduces it as closely as possible. The resulting mechanisms are attached to the character and then connected to each other using gear trains, which are created in a semi-automated fashion. The mechanical assemblies generated with our system can be driven with a single input driver, such as a hand-operated crank or an electric motor, and they can be fabricated using rapid prototyping devices.

Inhibition of spinal astrocytic c-Jun N-terminal kinase (JNK activation correlates with the analgesic effects of ketamine in neuropathic pain

Directory of Open Access Journals (Sweden)

Wang Wen

2011-01-01

Full Text Available Abstract Background We have previously reported that inhibition of astrocytic activation contributes to the analgesic effects of intrathecal ketamine on spinal nerve ligation (SNL-induced neuropathic pain. However, the underlying mechanisms are still unclear. c-Jun N-terminal kinase (JNK, a member of mitogen-activated protein kinase (MAPK family, has been reported to be critical for spinal astrocytic activation and neuropathic pain development after SNL. Ketamine can decrease lipopolysaccharide (LPS-induced phosphorylated JNK (pJNK expression and could thus exert its anti-inflammatory effect. We hypothesized that inhibition of astrocytic JNK activation might be involved in the suppressive effect of ketamine on SNL-induced spinal astrocytic activation. Methods Immunofluorescence histochemical staining was used to detect SNL-induced spinal pJNK expression and localization. The effects of ketamine on SNL-induced mechanical allodynia were confirmed by behavioral testing. Immunofluorescence histochemistry and Western blot were used to quantify the SNL-induced spinal pJNK expression after ketamine administration. Results The present study showed that SNL induced ipsilateral pJNK up-regulation in astrocytes but not microglia or neurons within the spinal dorsal horn. Intrathecal ketamine relieved SNL-induced mechanical allodynia without interfering with motor performance. Additionally, intrathecal administration of ketamine attenuated SNL-induced spinal astrocytic JNK activation in a dose-dependent manner, but not JNK protein expression. Conclusions The present results suggest that inhibition of JNK activation may be involved in the suppressive effects of ketamine on SNL-induced spinal astrocyte activation. Therefore, inhibition of spinal JNK activation may be involved in the analgesic effects of ketamine on SNL-induced neuropathic pain.

Inhibition of spinal astrocytic c-Jun N-terminal kinase (JNK) activation correlates with the analgesic effects of ketamine in neuropathic pain

Science.gov (United States)

2011-01-01

Background We have previously reported that inhibition of astrocytic activation contributes to the analgesic effects of intrathecal ketamine on spinal nerve ligation (SNL)-induced neuropathic pain. However, the underlying mechanisms are still unclear. c-Jun N-terminal kinase (JNK), a member of mitogen-activated protein kinase (MAPK) family, has been reported to be critical for spinal astrocytic activation and neuropathic pain development after SNL. Ketamine can decrease lipopolysaccharide (LPS)-induced phosphorylated JNK (pJNK) expression and could thus exert its anti-inflammatory effect. We hypothesized that inhibition of astrocytic JNK activation might be involved in the suppressive effect of ketamine on SNL-induced spinal astrocytic activation. Methods Immunofluorescence histochemical staining was used to detect SNL-induced spinal pJNK expression and localization. The effects of ketamine on SNL-induced mechanical allodynia were confirmed by behavioral testing. Immunofluorescence histochemistry and Western blot were used to quantify the SNL-induced spinal pJNK expression after ketamine administration. Results The present study showed that SNL induced ipsilateral pJNK up-regulation in astrocytes but not microglia or neurons within the spinal dorsal horn. Intrathecal ketamine relieved SNL-induced mechanical allodynia without interfering with motor performance. Additionally, intrathecal administration of ketamine attenuated SNL-induced spinal astrocytic JNK activation in a dose-dependent manner, but not JNK protein expression. Conclusions The present results suggest that inhibition of JNK activation may be involved in the suppressive effects of ketamine on SNL-induced spinal astrocyte activation. Therefore, inhibition of spinal JNK activation may be involved in the analgesic effects of ketamine on SNL-induced neuropathic pain. PMID:21255465

Consistent data-driven computational mechanics

Science.gov (United States)

González, D.; Chinesta, F.; Cueto, E.

2018-05-01

We present a novel method, within the realm of data-driven computational mechanics, to obtain reliable and thermodynamically sound simulation from experimental data. We thus avoid the need to fit any phenomenological model in the construction of the simulation model. This kind of techniques opens unprecedented possibilities in the framework of data-driven application systems and, particularly, in the paradigm of industry 4.0.

Research in Applied Mathematics, Fluid Mechanics and Computer Science

Science.gov (United States)

1999-01-01

This report summarizes research conducted at the Institute for Computer Applications in Science and Engineering in applied mathematics, fluid mechanics, and computer science during the period October 1, 1998 through March 31, 1999.

Computational fluid mechanics and heat transfer

CERN Document Server

Pletcher, Richard H; Anderson, Dale

2012-01-01

""I have always considered this book the best gift from one generation to the next in computational fluid dynamics. I earnestly recommend this book to graduate students and practicing engineers for the pleasure of learning and a handy reference. The description of the basic concepts and fundamentals is thorough and is crystal clear for understanding. And since 1984, two newer editions have kept abreast to the new, relevant, and fully verified advancements in CFD.""-Joseph J.S. Shang, Wright State University""Computational Fluid Mechanics and Heat Transfer is very well written to be used as a t

Computer-controlled mechanical lung model for application in pulmonary function studies

NARCIS (Netherlands)

A.F.M. Verbraak (Anton); J.E.W. Beneken; J.M. Bogaard (Jan); A. Versprille (Adrian)

1995-01-01

textabstractA computer controlled mechanical lung model has been developed for testing lung function equipment, validation of computer programs and simulation of impaired pulmonary mechanics. The construction, function and some applications are described. The physical model is constructed from two

Gas Migration Project: Risk Assessment Tool and Computational Analyses to Investigate Wellbore/Mine Interactions, Secretary's Potash Area, Southeastern New Mexico

Energy Technology Data Exchange (ETDEWEB)

Sobolik, Steven R. [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States). Geomechanics Dept.; Hadgu, Teklu [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States). Nuclear Waste Disposal Research and Analysis Dept.; Rechard, Robert P. [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States). Nuclear Waste Disposal Research and Analysis Dept.

2016-05-01

The Bureau of Land Management (BLM), US Department of the Interior has asked Sandia National Laboratories (SNL) to perform scientific studies relevant to technical issues that arise in the development of co-located resources of potash and petroleum in southeastern New Mexico in the Secretary’s Potash Area. The BLM manages resource development, issues permits and interacts with the State of New Mexico in the process of developing regulations, in an environment where many issues are disputed by industry stakeholders. The present report is a deliverable of the study of the potential for gas migration from a wellbore to a mine opening in the event of wellbore leakage, a risk scenario about which there is disagreement among stakeholders and little previous site specific analysis. One goal of this study was to develop a framework that required collaboratively developed inputs and analytical approaches in order to encourage stakeholder participation and to employ ranges of data values and scenarios. SNL presents here a description of a basic risk assessment (RA) framework that will fulfill the initial steps of meeting that goal. SNL used the gas migration problem to set up example conceptual models, parameter sets and computer models and as a foundation for future development of RA to support BLM resource development.

Mechanical Design Technology--Modified. (Computer Assisted Drafting, Computer Aided Design). Curriculum Grant 84/85.

Science.gov (United States)

Schoolcraft Coll., Livonia, MI.

This document is a curriculum guide for a program in mechanical design technology (computer-assisted drafting and design developed at Schoolcraft College, Livonia, Michigan). The program helps students to acquire the skills of drafters and to interact with electronic equipment, with the option of becoming efficient in the computer-aided…

Introducing Computational Approaches in Intermediate Mechanics

Science.gov (United States)

Cook, David M.

2006-12-01

In the winter of 2003, we at Lawrence University moved Lagrangian mechanics and rigid body dynamics from a required sophomore course to an elective junior/senior course, freeing 40% of the time for computational approaches to ordinary differential equations (trajectory problems, the large amplitude pendulum, non-linear dynamics); evaluation of integrals (finding centers of mass and moment of inertia tensors, calculating gravitational potentials for various sources); and finding eigenvalues and eigenvectors of matrices (diagonalizing the moment of inertia tensor, finding principal axes), and to generating graphical displays of computed results. Further, students begin to use LaTeX to prepare some of their submitted problem solutions. Placed in the middle of the sophomore year, this course provides the background that permits faculty members as appropriate to assign computer-based exercises in subsequent courses. Further, students are encouraged to use our Computational Physics Laboratory on their own initiative whenever that use seems appropriate. (Curricular development supported in part by the W. M. Keck Foundation, the National Science Foundation, and Lawrence University.)

Computational mechanics - Advances and trends; Proceedings of the Session - Future directions of Computational Mechanics of the ASME Winter Annual Meeting, Anaheim, CA, Dec. 7-12, 1986

Science.gov (United States)

Noor, Ahmed K. (Editor)

1986-01-01

The papers contained in this volume provide an overview of the advances made in a number of aspects of computational mechanics, identify some of the anticipated industry needs in this area, discuss the opportunities provided by new hardware and parallel algorithms, and outline some of the current government programs in computational mechanics. Papers are included on advances and trends in parallel algorithms, supercomputers for engineering analysis, material modeling in nonlinear finite-element analysis, the Navier-Stokes computer, and future finite-element software systems.

Development of the BWR Dry Core Initial and Boundary Conditions for the SNL XR2 Experiments; TOPICAL

International Nuclear Information System (INIS)

Ott, L.J.

1994-01-01

The objectives of the Boiling Water Reactor Experimental Analysis and Model Development for Severe Accidents (BEAMD) Program at the Oak Ridge National Laboratory (ORNL) are: (1) the development of a sound quantitative understanding of boiling water reactor (BWR) core melt progression; this includes control blade and channel box effects, metallic melt relocation and possible blockage formation under severe accident conditions, and (2) provision of BWR melt progression modeling capabilities in SCDAP/RELAP5 (consistent with the BWR experimental data base). This requires the assessment of current modeling of BWR core melt progression against the expanding BWR data base. Emphasis is placed upon data from the BWR tests in the German CORA test facility and from the ex-reactor experiments[Sandia National Laboratories (SNL)] on metallic melt relocation and blockage formation in BWRs, as well as upon in-reactor data from the Annular Core Research Reactor (ACRR) DF-4 BWR test (conducted in 1986 at SNL). The BEAMD Program is a derivative of the BWR Severe Accident Technology Programs at ORNL. The ORNL BWR programs have studied postulated severe accidents in BWRs and have developed a set of models specific to boiling water reactor response under severe accident conditions. These models, in an experiment-specific format, have been successfully applied to both pretest and posttest analyses of the DF-4 experiment, and the BWR severe fuel damage (SFD) experiments performed in the CORA facility at the Kernforschungszentrum Karlsruhe (KfK) in Germany, resulting in excellent agreement between model prediction and experiment. The ORNL BWR models have provided for more precise predictions of the conditions in the BWR experiments than were previously available. This has provided a basis for more accurate interpretation of the phenomena for which the experiments are performed. The experiment-specific models, as used in the ORNL DF-4 and CORA BWR experimental analyses, also provide a basis

A security mechanism based on evolutionary game in fog computing

Directory of Open Access Journals (Sweden)

Yan Sun

2018-02-01

Full Text Available Fog computing is a distributed computing paradigm at the edge of the network and requires cooperation of users and sharing of resources. When users in fog computing open their resources, their devices are easily intercepted and attacked because they are accessed through wireless network and present an extensive geographical distribution. In this study, a credible third party was introduced to supervise the behavior of users and protect the security of user cooperation. A fog computing security mechanism based on human nervous system is proposed, and the strategy for a stable system evolution is calculated. The MATLAB simulation results show that the proposed mechanism can reduce the number of attack behaviors effectively and stimulate users to cooperate in application tasks positively.

A security mechanism based on evolutionary game in fog computing.

Science.gov (United States)

Sun, Yan; Lin, Fuhong; Zhang, Nan

2018-02-01

Fog computing is a distributed computing paradigm at the edge of the network and requires cooperation of users and sharing of resources. When users in fog computing open their resources, their devices are easily intercepted and attacked because they are accessed through wireless network and present an extensive geographical distribution. In this study, a credible third party was introduced to supervise the behavior of users and protect the security of user cooperation. A fog computing security mechanism based on human nervous system is proposed, and the strategy for a stable system evolution is calculated. The MATLAB simulation results show that the proposed mechanism can reduce the number of attack behaviors effectively and stimulate users to cooperate in application tasks positively.

Quantum mechanics on the personal computer

International Nuclear Information System (INIS)

Brandt, S.; Dahmen, H.D.

1989-01-01

'Quantum Mechanics on the PC' presents the most up-to-date access to elementary quantum mechanics. Based on the interactive program Interquanta (included on a 5 1/4'' Floppy Disk, MS-DOS) and its extensive 3D colour graphic features, the book guides its readers through computer experiments on - free particles and wave packets - bound states in various potentials - coherent and squeezed states in time-dependent motion - scattering and resonances - analogies in optics - quantized angular momentum - distinguishable and indistinguishable particles - special functions of mathematical physics. The course with a wide variety of more than 250 detailed, class-tested problems provides students with a unique practical experience of complex probability amplitudes, eigenvalues, scattering cross sections and the like. Lecturers and teachers will find excellent, hands-on classroom demonstrations for their quantum mechanics course. (orig.)

Natural computing for mechanical systems research: A tutorial overview

Science.gov (United States)

Worden, Keith; Staszewski, Wieslaw J.; Hensman, James J.

2011-01-01

A great many computational algorithms developed over the past half-century have been motivated or suggested by biological systems or processes, the most well-known being the artificial neural networks. These algorithms are commonly grouped together under the terms soft or natural computing. A property shared by most natural computing algorithms is that they allow exploration of, or learning from, data. This property has proved extremely valuable in the solution of many diverse problems in science and engineering. The current paper is intended as a tutorial overview of the basic theory of some of the most common methods of natural computing as they are applied in the context of mechanical systems research. The application of some of the main algorithms is illustrated using case studies. The paper also attempts to give some indication as to which of the algorithms emerging now from the machine learning community are likely to be important for mechanical systems research in the future.

[Research activities in applied mathematics, fluid mechanics, and computer science

Science.gov (United States)

1995-01-01

This report summarizes research conducted at the Institute for Computer Applications in Science and Engineering in applied mathematics, fluid mechanics, and computer science during the period April 1, 1995 through September 30, 1995.

The preventive effect of resiniferatoxin on the development of cold hypersensitivity induced by spinal nerve ligation: involvement of TRPM8.

Science.gov (United States)

Koh, Won Uk; Choi, Seong-Soo; Kim, Ji Hyun; Yoon, Hye Joo; Ahn, Ho-Soo; Lee, Sun Kyung; Leem, Jeong Gil; Song, Jun Gol; Shin, Jin Woo

2016-06-21

Resiniferatoxin (RTX) is a potent analog of capsaicin and activates transient receptor potential (TRP) vanilloid type (TRPV) 1. In the current study, we investigated the preventive effect of perineural RTX on the development of cold hypersensitivity induced by spinal nerve ligation (SNL) in rats. Furthermore, we examined the association between the expression level of TRPV1, TRP ankyrin type (TRPA) 1 and TRP melastatin type (TRPM) 8 in the dorsal root ganglion (DRG) and cold hypersensitivity after SNL. RTX pretreatment prevented the development of SNL-induced hypersensitivity to mechanical, thermal, and cold stimuli. Western blot analysis 4 weeks after RTX pretreatment showed that RTX pretreatment decreased the protein expression level of SNL-induced TRPM8, but not TRPV1 or TRPA1, in the DRG of SNL rats. Immunofluorescent analysis revealed that up-regulated TRPM8-stained neurons after SNL co-localized with neurofilament 200-positive neurons located in the DRG. Pretreatment with perineural RTX significantly inhibits SNL-induced mechanical, thermal, and cold hypersensitivity. The antinociceptive effect of perineural RTX, especially on cold hypersensitivity, may be related to the suppression of TRPM8 expression in DRG.

An application of interactive computer graphics technology to the design of dispersal mechanisms

Science.gov (United States)

Richter, B. J.; Welch, B. H.

1977-01-01

Interactive computer graphics technology is combined with a general purpose mechanisms computer code to study the operational behavior of three guided bomb dispersal mechanism designs. These studies illustrate the use of computer graphics techniques to discover operational anomalies, to assess the effectiveness of design improvements, to reduce the time and cost of the modeling effort, and to provide the mechanism designer with a visual understanding of the physical operation of such systems.

Computational analysis of sequence selection mechanisms.

Science.gov (United States)

Meyerguz, Leonid; Grasso, Catherine; Kleinberg, Jon; Elber, Ron

2004-04-01

Mechanisms leading to gene variations are responsible for the diversity of species and are important components of the theory of evolution. One constraint on gene evolution is that of protein foldability; the three-dimensional shapes of proteins must be thermodynamically stable. We explore the impact of this constraint and calculate properties of foldable sequences using 3660 structures from the Protein Data Bank. We seek a selection function that receives sequences as input, and outputs survival probability based on sequence fitness to structure. We compute the number of sequences that match a particular protein structure with energy lower than the native sequence, the density of the number of sequences, the entropy, and the "selection" temperature. The mechanism of structure selection for sequences longer than 200 amino acids is approximately universal. For shorter sequences, it is not. We speculate on concrete evolutionary mechanisms that show this behavior.

LLNL Input to SNL L2 MS: Report on the Basis for Selection of Disposal Options

International Nuclear Information System (INIS)

Sutton, M.; Blink, J.A.; Halsey, W.G.

2011-01-01

This mid-year deliverable has two parts. The first part is a synopsis of J. Blink's interview of the former Nevada Attorney General, Frankie Sue Del Papa, which was done in preparation for the May 18-19, 2010 Legal and Regulatory Framework Workshop held in Albuquerque. The second part is a series of sections written as input for the SNL L2 Milestone M21UF033701, due March 31, 2011. Disposal of high-level radioactive waste is categorized in this review into several categories. Section II discusses alternatives to geologic disposal: space, ice-sheets, and an engineered mountain or mausoleum. Section III discusses alternative locations for mined geologic disposal: islands, coastlines, mid-continent, and saturated versus unsaturated zone. Section IV discusses geologic disposal alternatives other than emplacement in a mine: well injection, rock melt, sub-seabed, and deep boreholes in igneous or metamorphic basement rock. Finally, Secton V discusses alternative media for mined geologic disposal: basalt, tuff, granite and other igneous/metamorphic rock, alluvium, sandstone, carbonates and chalk, shale and clay, and salt.

LLNL Input to SNL L2 MS: Report on the Basis for Selection of Disposal Options

Energy Technology Data Exchange (ETDEWEB)

Sutton, M; Blink, J A; Halsey, W G

2011-03-02

This mid-year deliverable has two parts. The first part is a synopsis of J. Blink's interview of the former Nevada Attorney General, Frankie Sue Del Papa, which was done in preparation for the May 18-19, 2010 Legal and Regulatory Framework Workshop held in Albuquerque. The second part is a series of sections written as input for the SNL L2 Milestone M21UF033701, due March 31, 2011. Disposal of high-level radioactive waste is categorized in this review into several categories. Section II discusses alternatives to geologic disposal: space, ice-sheets, and an engineered mountain or mausoleum. Section III discusses alternative locations for mined geologic disposal: islands, coastlines, mid-continent, and saturated versus unsaturated zone. Section IV discusses geologic disposal alternatives other than emplacement in a mine: well injection, rock melt, sub-seabed, and deep boreholes in igneous or metamorphic basement rock. Finally, Secton V discusses alternative media for mined geologic disposal: basalt, tuff, granite and other igneous/metamorphic rock, alluvium, sandstone, carbonates and chalk, shale and clay, and salt.

Integrated mechanisms of anticipation and rate-of-change computations in cortical circuits.

Directory of Open Access Journals (Sweden)

Gabriel D Puccini

2007-05-01

Full Text Available Local neocortical circuits are characterized by stereotypical physiological and structural features that subserve generic computational operations. These basic computations of the cortical microcircuit emerge through the interplay of neuronal connectivity, cellular intrinsic properties, and synaptic plasticity dynamics. How these interacting mechanisms generate specific computational operations in the cortical circuit remains largely unknown. Here, we identify the neurophysiological basis of both the rate of change and anticipation computations on synaptic inputs in a cortical circuit. Through biophysically realistic computer simulations and neuronal recordings, we show that the rate-of-change computation is operated robustly in cortical networks through the combination of two ubiquitous brain mechanisms: short-term synaptic depression and spike-frequency adaptation. We then show how this rate-of-change circuit can be embedded in a convergently connected network to anticipate temporally incoming synaptic inputs, in quantitative agreement with experimental findings on anticipatory responses to moving stimuli in the primary visual cortex. Given the robustness of the mechanism and the widespread nature of the physiological machinery involved, we suggest that rate-of-change computation and temporal anticipation are principal, hard-wired functions of neural information processing in the cortical microcircuit.

International Conference on Computational Mechanics

CERN Document Server

Atluri, Satya

1986-01-01

It is often said that these days there are too many conferences on general areas of computational mechanics. mechanics. and numer ical methods. vJhile this may be true. the his tory of scientific conferences is itself quite short. According to Abraham Pais (in "Subtle is the Lord ...• " Oxford University Press. 1982. p.80). the first international scientific conference ever held was the Karlsruhe Congress of Chemists. 3-5 September 1860 in Karlsruhe. Germany. There were 127 chemists in attendance. and the participants came from Austria. Belgium. France. Germany. Great Britain. Italy. Mexico. Poland. Russia. Spain. Sweden. and Switzerland. At the top of the agenda of the points to be discussed at this conference was the question: "Shall a difference be made between the expressions molecule and atom?" Pais goes on to note: "The conference did not at once succeed in bringing chemists closer together ... It is possible that the older men were offended by the impetuous behavior and imposing manner of the younger...

New directions in computational mechanics

International Nuclear Information System (INIS)

Hughes, T.J.R.

1989-01-01

A few areas of computation mechanics are identified in which considerable progress has occurred and continued extension and refinement are anticipated. In particular, some recent results are presented of calculations performed with general purpose large-scale nonlinear finite element programs. Recent progress in the development of finite element methods for fluids is described. Examples of adaptive refinement and ''SUPG'' type methods are presented. The ideas emanating from finite elements in fluids are now having some impact on solids and structures. Examples of new element technology for kinematically constrained media and space-time formulations in elastodynamics are presented. (orig.)

Multiscale methods in computational fluid and solid mechanics

NARCIS (Netherlands)

Borst, de R.; Hulshoff, S.J.; Lenz, S.; Munts, E.A.; Brummelen, van E.H.; Wall, W.; Wesseling, P.; Onate, E.; Periaux, J.

2006-01-01

First, an attempt is made towards gaining a more systematic understanding of recent progress in multiscale modelling in computational solid and fluid mechanics. Sub- sequently, the discussion is focused on variational multiscale methods for the compressible and incompressible Navier-Stokes

Proceedings of the 30th Nordic Seminar on Computational Mechanics (NSCM-30)

DEFF Research Database (Denmark)

These proceedings contain the papers presented at the 30th Nordic Seminar on Computational Mechanics (NSCM30), held at The Technical University of Denmark (DTU), 25-27 October 2017.......These proceedings contain the papers presented at the 30th Nordic Seminar on Computational Mechanics (NSCM30), held at The Technical University of Denmark (DTU), 25-27 October 2017....

Continuum mechanical and computational aspects of material behavior

Energy Technology Data Exchange (ETDEWEB)

Fried, Eliot; Gurtin, Morton E.

2000-02-10

The focus of the work is the application of continuum mechanics to materials science, specifically to the macroscopic characterization of material behavior at small length scales. The long-term goals are a continuum-mechanical framework for the study of materials that provides a basis for general theories and leads to boundary-value problems of physical relevance, and computational methods appropriate to these problems supplemented by physically meaningful regularizations to aid in their solution. Specific studies include the following: the development of a theory of polycrystalline plasticity that incorporates free energy associated with lattice mismatch between grains; the development of a theory of geometrically necessary dislocations within the context of finite-strain plasticity; the development of a gradient theory for single-crystal plasticity with geometrically necessary dislocations; simulations of dynamical fracture using a theory that allows for the kinking and branching of cracks; computation of segregation and compaction in flowing granular materials.

Computational implementation of the multi-mechanism deformation coupled fracture model for salt

International Nuclear Information System (INIS)

Koteras, J.R.; Munson, D.E.

1996-01-01

The Multi-Mechanism Deformation (M-D) model for creep in rock salt has been used in three-dimensional computations for the Waste Isolation Pilot Plant (WIPP), a potential waste, repository. These computational studies are relied upon to make key predictions about long-term behavior of the repository. Recently, the M-D model was extended to include creep-induced damage. The extended model, the Multi-Mechanism Deformation Coupled Fracture (MDCF) model, is considerably more complicated than the M-D model and required a different technology from that of the M-D model for a computational implementation

Validation of a fracture mechanics approach to nuclear transportation cask design through a drop test program

International Nuclear Information System (INIS)

Sorenson, K.B.

1986-01-01

Sandia National Laboratories (SNL), under contract to the Department of Energy, is conducting a research program to develop and validate a fracture mechanics approach to cask design. A series of drop tests of a transportation cask is planned for the summer of 1986 as the method for benchmarking and, thereby, validating the fracture mechanics approach. This paper presents the drop test plan and background leading to the development of the test plan including structural analyses, material characterization, and non-destructive evaluation (NDE) techniques necessary for defining the test plan properly

Computing with networks of nonlinear mechanical oscillators.

Directory of Open Access Journals (Sweden)

Jean C Coulombe

Full Text Available As it is getting increasingly difficult to achieve gains in the density and power efficiency of microelectronic computing devices because of lithographic techniques reaching fundamental physical limits, new approaches are required to maximize the benefits of distributed sensors, micro-robots or smart materials. Biologically-inspired devices, such as artificial neural networks, can process information with a high level of parallelism to efficiently solve difficult problems, even when implemented using conventional microelectronic technologies. We describe a mechanical device, which operates in a manner similar to artificial neural networks, to solve efficiently two difficult benchmark problems (computing the parity of a bit stream, and classifying spoken words. The device consists in a network of masses coupled by linear springs and attached to a substrate by non-linear springs, thus forming a network of anharmonic oscillators. As the masses can directly couple to forces applied on the device, this approach combines sensing and computing functions in a single power-efficient device with compact dimensions.

Research in progress in applied mathematics, numerical analysis, fluid mechanics, and computer science

Science.gov (United States)

1994-01-01

This report summarizes research conducted at the Institute for Computer Applications in Science and Engineering in applied mathematics, fluid mechanics, and computer science during the period October 1, 1993 through March 31, 1994. The major categories of the current ICASE research program are: (1) applied and numerical mathematics, including numerical analysis and algorithm development; (2) theoretical and computational research in fluid mechanics in selected areas of interest to LaRC, including acoustics and combustion; (3) experimental research in transition and turbulence and aerodynamics involving LaRC facilities and scientists; and (4) computer science.

Computational Modeling and Analysis of Mechanically Painful Stimulations

DEFF Research Database (Denmark)

Manafi Khanian, Bahram

Cuff algometry is used for quantitative assessment of deep-tissue sensitivity. The main purpose of this PhD dissertation is to provide a novel insight into the intrinsic and extrinsic factors which are involved in mechanically induced pain during cuff pressure algometry. A computational 3D finite...

Computational Quantum Mechanics for Materials Engineers The EMTO Method and Applications

CERN Document Server

Vitos, L

2007-01-01

Traditionally, new materials have been developed by empirically correlating their chemical composition, and the manufacturing processes used to form them, with their properties. Until recently, metallurgists have not used quantum theory for practical purposes. However, the development of modern density functional methods means that today, computational quantum mechanics can help engineers to identify and develop novel materials. Computational Quantum Mechanics for Materials Engineers describes new approaches to the modelling of disordered alloys that combine the most efficient quantum-level th

Computational modelling of thermo-mechanical and transport properties of carbon nanotubes

International Nuclear Information System (INIS)

Rafii-Tabar, H.

2004-01-01

Over the recent years, numerical modelling and computer-based simulation of the properties of carbon nanotubes have become the focal points of research in computational nano-science and its associated fields of computational condensed matter physics and materials modelling. Modelling of the mechanical, thermal and transport properties of nanotubes via numerical simulations forms the central part of this research, concerned with the nano-scale mechanics and nano-scale thermodynamics of nanotubes, and nano-scale adsorption, storage and flow properties in nanotubes. A review of these properties, obtained via computational modelling studies, is presented here. We first introduce the physics of carbon nanotubes, and then present the computational simulation tools that are appropriate for conducting a modelling study at the nano-scales. These include the molecular dynamics (MD), the Monte Carlo (MC), and the ab initio MD simulation methods. A complete range of inter-atomic potentials, of two-body and many-body varieties, that underlie all the modelling studies considered in this review is also given. Mechanical models from continuum-based elasticity theory that have been extensively employed in computing the energetics of nanotubes, or interpret the results from atomistic modelling, are presented and discussed. These include models based on the continuum theory of curved plates, shells, vibrating rods and bending beams. The validity of these continuum-based models has also been examined and the conditions under which they are applicable to nanotube modelling have been listed. Pertinent concepts from continuum theories of stress analysis are included, and the relevant methods for conducting the computation of the stress tensor, elastic constants and elastic modulii at the atomic level are also given. We then survey a comprehensive range of modelling studies concerned with the adsorption and storage of gases, and flow of fluids, in carbon nanotubes of various types. This

Computational modelling of thermo-mechanical and transport properties of carbon nanotubes

Energy Technology Data Exchange (ETDEWEB)

Rafii-Tabar, H

2004-02-01

Over the recent years, numerical modelling and computer-based simulation of the properties of carbon nanotubes have become the focal points of research in computational nano-science and its associated fields of computational condensed matter physics and materials modelling. Modelling of the mechanical, thermal and transport properties of nanotubes via numerical simulations forms the central part of this research, concerned with the nano-scale mechanics and nano-scale thermodynamics of nanotubes, and nano-scale adsorption, storage and flow properties in nanotubes. A review of these properties, obtained via computational modelling studies, is presented here. We first introduce the physics of carbon nanotubes, and then present the computational simulation tools that are appropriate for conducting a modelling study at the nano-scales. These include the molecular dynamics (MD), the Monte Carlo (MC), and the ab initio MD simulation methods. A complete range of inter-atomic potentials, of two-body and many-body varieties, that underlie all the modelling studies considered in this review is also given. Mechanical models from continuum-based elasticity theory that have been extensively employed in computing the energetics of nanotubes, or interpret the results from atomistic modelling, are presented and discussed. These include models based on the continuum theory of curved plates, shells, vibrating rods and bending beams. The validity of these continuum-based models has also been examined and the conditions under which they are applicable to nanotube modelling have been listed. Pertinent concepts from continuum theories of stress analysis are included, and the relevant methods for conducting the computation of the stress tensor, elastic constants and elastic modulii at the atomic level are also given. We then survey a comprehensive range of modelling studies concerned with the adsorption and storage of gases, and flow of fluids, in carbon nanotubes of various types. This

Elastic Multi-scale Mechanisms: Computation and Biological Evolution.

Science.gov (United States)

Diaz Ochoa, Juan G

2018-01-01

Explanations based on low-level interacting elements are valuable and powerful since they contribute to identify the key mechanisms of biological functions. However, many dynamic systems based on low-level interacting elements with unambiguous, finite, and complete information of initial states generate future states that cannot be predicted, implying an increase of complexity and open-ended evolution. Such systems are like Turing machines, that overlap with dynamical systems that cannot halt. We argue that organisms find halting conditions by distorting these mechanisms, creating conditions for a constant creativity that drives evolution. We introduce a modulus of elasticity to measure the changes in these mechanisms in response to changes in the computed environment. We test this concept in a population of predators and predated cells with chemotactic mechanisms and demonstrate how the selection of a given mechanism depends on the entire population. We finally explore this concept in different frameworks and postulate that the identification of predictive mechanisms is only successful with small elasticity modulus.

Mechanisms of protection of information in computer networks and systems

Directory of Open Access Journals (Sweden)

Sergey Petrovich Evseev

2011-10-01

Full Text Available Protocols of information protection in computer networks and systems are investigated. The basic types of threats of infringement of the protection arising from the use of computer networks are classified. The basic mechanisms, services and variants of realization of cryptosystems for maintaining authentication, integrity and confidentiality of transmitted information are examined. Their advantages and drawbacks are described. Perspective directions of development of cryptographic transformations for the maintenance of information protection in computer networks and systems are defined and analyzed.

Computer simulations of the mechanical properties of metals

DEFF Research Database (Denmark)

Schiøtz, Jakob; Vegge, Tejs

1999-01-01

Atomic-scale computer simulations can be used to gain a better understanding of the mechanical properties of materials. In this paper we demonstrate how this can be done in the case of nanocrystalline copper, and give a brief overview of how simulations may be extended to larger length scales....... Nanocrystline metals are metals with grain sizes in the nanometre range, they have a number of technologically interesting properties such as much increased hardness and yield strength. Our simulations show that the deformation mechanisms are different in these materials than in coarse-grained materials...

On the potential of computational methods and numerical simulation in ice mechanics

International Nuclear Information System (INIS)

Bergan, Paal G; Cammaert, Gus; Skeie, Geir; Tharigopula, Venkatapathi

2010-01-01

This paper deals with the challenge of developing better methods and tools for analysing interaction between sea ice and structures and, in particular, to be able to calculate ice loads on these structures. Ice loads have traditionally been estimated using empirical data and 'engineering judgment'. However, it is believed that computational mechanics and advanced computer simulations of ice-structure interaction can play an important role in developing safer and more efficient structures, especially for irregular structural configurations. The paper explains the complexity of ice as a material in computational mechanics terms. Some key words here are large displacements and deformations, multi-body contact mechanics, instabilities, multi-phase materials, inelasticity, time dependency and creep, thermal effects, fracture and crushing, and multi-scale effects. The paper points towards the use of advanced methods like ALE formulations, mesh-less methods, particle methods, XFEM, and multi-domain formulations in order to deal with these challenges. Some examples involving numerical simulation of interaction and loads between level sea ice and offshore structures are presented. It is concluded that computational mechanics may prove to become a very useful tool for analysing structures in ice; however, much research is still needed to achieve satisfactory reliability and versatility of these methods.

COMPUTER SIMULATION THE MECHANICAL MOVEMENT BODY BY MEANS OF MATHCAD

Directory of Open Access Journals (Sweden)

Leonid Flehantov

2017-03-01

Full Text Available Here considered the technique of using computer mathematics system MathCAD for computer implementation of mathematical model of the mechanical motion of the physical body thrown at an angle to the horizon, and its use for educational computer simulation experiment in teaching the fundamentals of mathematical modeling. The advantages of MathCAD as environment of implementation mathematical models in the second stage of higher education are noted. It describes the creation the computer simulation model that allows you to comprehensively analyze the process of mechanical movement of the body, changing the input parameters of the model: the acceleration of gravity, the initial and final position of the body, the initial velocity and angle, the geometric dimensions of the body and goals. The technique aimed at the effective assimilation of basic knowledge and skills of students on the basics of mathematical modeling, it provides an opportunity to better master the basic theoretical principles of mathematical modeling and related disciplines, promotes logical thinking development of students, their motivation to learn discipline, improves cognitive interest, forms skills research activities than creating conditions for the effective formation of professional competence of future specialists.

Static, rheological and mechanical properties of polymer nanocomposites studied by computer modeling and simulation.

Science.gov (United States)

Liu, Jun; Zhang, Liqun; Cao, Dapeng; Wang, Wenchuan

2009-12-28

Polymer nanocomposites (PNCs) often exhibit excellent mechanical, thermal, electrical and optical properties, because they combine the performances of both polymers and inorganic or organic nanoparticles. Recently, computer modeling and simulation are playing an important role in exploring the reinforcement mechanism of the PNCs and even the design of functional PNCs. This report provides an overview of the progress made in past decades in the investigation of the static, rheological and mechanical properties of polymer nanocomposites studied by computer modeling and simulation. Emphases are placed on exploring the mechanisms at the molecular level for the dispersion of nanoparticles in nanocomposites, the effects of nanoparticles on chain conformation and glass transition temperature (T(g)), as well as viscoelastic and mechanical properties. Finally, some future challenges and opportunities in computer modeling and simulation of PNCs are addressed.

SNL evaluation of Gigabit Passive Optical Networks (GPON).

Energy Technology Data Exchange (ETDEWEB)

Heckart, David G.; Roybal, Glen B.; Walker, Betty R.; Pratt, Thomas Joseph; Gossage, Steven Allen; Trujillo, Sandra M.; Fischer, Bob; Brenkosh, Joseph Peter; Rudolfo, Gerald F.; Dirks, David H.; Schutt, James Alan

2009-08-01

Gigabit Passive Optical Networks (GPON) is a networking technology which offers the potential to provide significant cost savings to Sandia National Laboratories in the area of network operations. However, a large scale GPON deployment requires a significant investment in equipment and infrastructure. Before a large scale GPON system was acquired and built, a small GPON system manufactured by Motorola was acquired and tested. The testing performed was to determine the suitability of GPON for use at SNL. This report documents that testing. This report presents test results of GPON system consisting of Motorola and Juniper equipment. The GPON system was tested in areas of data throughput, video conferencing, VOIP, security, and operations and management. The GPON system performed well in almost all areas. GPON will not meet the needs of the low percentage of users requiring a true 1-10 Gbps network connection. GPON will also most likely not meet the need of some servers requiring dedicated throughput of 1-10 Gbps. Because of that, there will be some legacy network connections that must remain. If these legacy network connections can not be reduced to a bare minimum and possibly consolidated to a few locations, any cost savings gained by switching to GPON will be negated by maintaining two networks. A contract has been recently awarded for new GPON equipment with larger buffers. This equipment should improve performance and further reduce the need for legacy network connections. Because GPON has fewer components than a typical hierarchical network, it should be easier to manage. For the system tested, the management was performed by using the AXSVison client. Access to the client must be tightly controlled, because if client/server communications are compromised, security will be an issue. As with any network, the reliability of individual components will determine overall system reliability. There were no failures with the routers, OLT, or Sun Workstation Management

1998 Annual Site Environmental Report Sandia National Laboratories, Albuquerque, New Mexico

Energy Technology Data Exchange (ETDEWEB)

Duncan, D.K.; Fink, C.H.; Sanchez, R.V.

1999-09-01

Sandia National Laboratories/New Mexico (SNL/NM) is operated in support of the US Department of Energy (DOE) mission to provide weapon component technology and hardware for national security needs. SNL/NM also conducts fundamental research and development to advance technology in energy research, computer science, waste management, microelectronics, materials science, and transportation safety for hazardous and nuclear components. In support of SNL's mission, the Environment, Safety and Health (ES&H) Center and the Environmental Restoration (ER) Project at SNL/NM have established extensive environmental programs to assist SNL's line organizations in meeting all applicable local, State, and Federal environmental regulations and DOE requirements. This annual report for calendar year 1998 (CY98) summarizes the compliance status of environmental regulations applicable to SNL site operations. Environmental program activities include terrestrial surveillance; ambient air and meteorological monitoring hazardous, radioactive, and solid waste management; pollution prevention and waste minimization; environmental remediation; oil and chemical spill prevention; and National Environmental Policy Act (NEPA) activities. This report has been prepared in compliance with DOE Order 5400.1, General Environmental Protection Program (DOE 1990).

Computational methods for describing the laser-induced mechanical response of tissue

Energy Technology Data Exchange (ETDEWEB)

Trucano, T.; McGlaun, J.M.; Farnsworth, A.

1994-02-01

Detailed computational modeling of laser surgery requires treatment of the photoablation of human tissue by high intensity pulses of laser light and the subsequent thermomechanical response of the tissue. Three distinct physical regimes must be considered to accomplish this: (1) the immediate absorption of the laser pulse by the tissue and following tissue ablation, which is dependent upon tissue light absorption characteristics; (2) the near field thermal and mechanical response of the tissue to this laser pulse, and (3) the potential far field (and longer time) mechanical response of witness tissue. Both (2) and (3) are dependent upon accurate constitutive descriptions of the tissue. We will briefly review tissue absorptivity and mechanical behavior, with an emphasis on dynamic loads characteristic of the photoablation process. In this paper our focus will center on the requirements of numerical modeling and the uncertainties of mechanical tissue behavior under photoablation. We will also discuss potential contributions that computational simulations can make in the design of surgical protocols which utilize lasers, for example, in assessing the potential for collateral mechanical damage by laser pulses.

Early years of Computational Statistical Mechanics

Science.gov (United States)

Mareschal, Michel

2018-05-01

Evidence that a model of hard spheres exhibits a first-order solid-fluid phase transition was provided in the late fifties by two new numerical techniques known as Monte Carlo and Molecular Dynamics. This result can be considered as the starting point of computational statistical mechanics: at the time, it was a confirmation of a counter-intuitive (and controversial) theoretical prediction by J. Kirkwood. It necessitated an intensive collaboration between the Los Alamos team, with Bill Wood developing the Monte Carlo approach, and the Livermore group, where Berni Alder was inventing Molecular Dynamics. This article tells how it happened.

Computer Aided Synthesis of a Four-Bar Mechanism For Soil Tilling ...

African Journals Online (AJOL)

points, circle points, lengths, and the coupler point of interest of the chosen mechanism were altered and the resulting coupler curve plotted. The process was repeated until a suitable coupler curve and acceptable dimensions and fixed points locations were obtained. Keywords: Computer synthesis, four-bar mechanism, ...

Location Independent Professional Project: A Pilot Study

Energy Technology Data Exchange (ETDEWEB)

Hudson, J.A.; Long, J.P.; Miller, M.M.

1999-02-01

This pilot study project explored the problem of providing access to the nomadic worker who desires to connect a computer through network access points at a number of different locations within the SNL/NM campus as well as outside the campus. The design and prototype development gathered knowledge that may allow a design to be developed that could be extended to a larger number of SNL/NM network drop boxes. The focus was to provide a capability for a worker to access the SNL IRN from a network drop box (e.g. in a conference room) as easily as when accessing the computer network from the office normally used by the worker. Additional study was done on new methods to authenticate the off campus worker, and protect and control access to data.

On the Use of Computers for Teaching Fluid Mechanics

Science.gov (United States)

Benson, Thomas J.

1994-01-01

Several approaches for improving the teaching of basic fluid mechanics using computers are presented. There are two objectives to these approaches: to increase the involvement of the student in the learning process and to present information to the student in a variety of forms. Items discussed include: the preparation of educational videos using the results of computational fluid dynamics (CFD) calculations, the analysis of CFD flow solutions using workstation based post-processing graphics packages, and the development of workstation or personal computer based simulators which behave like desk top wind tunnels. Examples of these approaches are presented along with observations from working with undergraduate co-ops. Possible problems in the implementation of these approaches as well as solutions to these problems are also discussed.

Tensor Arithmetic, Geometric and Mathematic Principles of Fluid Mechanics in Implementation of Direct Computational Experiments

Directory of Open Access Journals (Sweden)

Bogdanov Alexander

2016-01-01

Full Text Available The architecture of a digital computing system determines the technical foundation of a unified mathematical language for exact arithmetic-logical description of phenomena and laws of continuum mechanics for applications in fluid mechanics and theoretical physics. The deep parallelization of the computing processes results in functional programming at a new technological level, providing traceability of the computing processes with automatic application of multiscale hybrid circuits and adaptive mathematical models for the true reproduction of the fundamental laws of physics and continuum mechanics.

The SNL/NM Classified Waste Landfill Excavation: Lessons Learned Moving from Planning to Implementation

International Nuclear Information System (INIS)

Galloway, Robert B; Slavin, Paula

1999-01-01

The Sandia National Laboratories/New Mexico (SNL/NM) Environmental Restoration Project is halfway through excavating the Classified Waste Landfill in Technical Area II, a disposal area for weapon components for approximately 40 years. While the planning phase of any project is important, it is only a means of getting to the field implementation phase where reality quickly sinks in. Documents outlining the general processes are developed, heavy equipment, supply needs, requisite skills, and staffing levels are anticipated, and contingencies for waste management are put in place. However, the nature of landfill excavation dictates that even the most detailed plans will probably change. This project is proving that trying to account for undefined variables and predicting the total cost of landfill remediation is very difficult if the contents are not well known. In landfill excavation, contingency cannot be minimized. During development of the waste management plan, it was recognized that even the best forecasting could not formulate the perfect cradle-to-grave processes because waste streams are rarely definable before excavation begins. Typically, as excavation progresses and waste streams are generated, new characterization information allows further definition of disposal options which, in turn, modify the generation/management process. A general plan combined with close involvement of waste management personnel to resolve characterization and packaging questions during generation has worked very well. And, as expected, each new pit excavated creates new waste management challenges. The material excavated consists primarily of classified weapon assemblies and related components, so disposition must include demilitarization and sanitization. The demilitarization task at the start of the project was provided by an SNL/NM group that has since lost their funding and operational capability. This project is having to take on the task of disassembly, destruction, and

Exploring the mechanisms through which computers contribute to learning.

NARCIS (Netherlands)

Karasavvidis, I.; Karasavvidis, I.; Pieters, Julius Marie; Plomp, T.

2003-01-01

Even though it has been established that the incorporation of computers into the teaching and learning process enhances student performance, the underlying mechanisms through which this is accomplished have been largely unexplored. The present study aims to shed light on this issue. Two groups of 10

Computationally-optimized bone mechanical modeling from high-resolution structural images.

Directory of Open Access Journals (Sweden)

Jeremy F Magland

Full Text Available Image-based mechanical modeling of the complex micro-structure of human bone has shown promise as a non-invasive method for characterizing bone strength and fracture risk in vivo. In particular, elastic moduli obtained from image-derived micro-finite element (μFE simulations have been shown to correlate well with results obtained by mechanical testing of cadaveric bone. However, most existing large-scale finite-element simulation programs require significant computing resources, which hamper their use in common laboratory and clinical environments. In this work, we theoretically derive and computationally evaluate the resources needed to perform such simulations (in terms of computer memory and computation time, which are dependent on the number of finite elements in the image-derived bone model. A detailed description of our approach is provided, which is specifically optimized for μFE modeling of the complex three-dimensional architecture of trabecular bone. Our implementation includes domain decomposition for parallel computing, a novel stopping criterion, and a system for speeding up convergence by pre-iterating on coarser grids. The performance of the system is demonstrated on a dual quad-core Xeon 3.16 GHz CPUs equipped with 40 GB of RAM. Models of distal tibia derived from 3D in-vivo MR images in a patient comprising 200,000 elements required less than 30 seconds to converge (and 40 MB RAM. To illustrate the system's potential for large-scale μFE simulations, axial stiffness was estimated from high-resolution micro-CT images of a voxel array of 90 million elements comprising the human proximal femur in seven hours CPU time. In conclusion, the system described should enable image-based finite-element bone simulations in practical computation times on high-end desktop computers with applications to laboratory studies and clinical imaging.

Parallelism in computations in quantum and statistical mechanics

International Nuclear Information System (INIS)

Clementi, E.; Corongiu, G.; Detrich, J.H.

1985-01-01

Often very fundamental biochemical and biophysical problems defy simulations because of limitations in today's computers. We present and discuss a distributed system composed of two IBM 4341 s and/or an IBM 4381 as front-end processors and ten FPS-164 attached array processors. This parallel system - called LCAP - has presently a peak performance of about 110 Mflops; extensions to higher performance are discussed. Presently, the system applications use a modified version of VM/SP as the operating system: description of the modifications is given. Three applications programs have been migrated from sequential to parallel: a molecular quantum mechanical, a Metropolis-Monte Carlo and a molecular dynamics program. Descriptions of the parallel codes are briefly outlined. Use of these parallel codes has already opened up new capabilities for our research. The very positive performance comparisons with today's supercomputers allow us to conclude that parallel computers and programming, of the type we have considered, represent a pragmatic answer to many computationally intensive problems. (orig.)

Recent Advances in Computational Mechanics of the Human Knee Joint

Science.gov (United States)

Kazemi, M.; Dabiri, Y.; Li, L. P.

2013-01-01

Computational mechanics has been advanced in every area of orthopedic biomechanics. The objective of this paper is to provide a general review of the computational models used in the analysis of the mechanical function of the knee joint in different loading and pathological conditions. Major review articles published in related areas are summarized first. The constitutive models for soft tissues of the knee are briefly discussed to facilitate understanding the joint modeling. A detailed review of the tibiofemoral joint models is presented thereafter. The geometry reconstruction procedures as well as some critical issues in finite element modeling are also discussed. Computational modeling can be a reliable and effective method for the study of mechanical behavior of the knee joint, if the model is constructed correctly. Single-phase material models have been used to predict the instantaneous load response for the healthy knees and repaired joints, such as total and partial meniscectomies, ACL and PCL reconstructions, and joint replacements. Recently, poromechanical models accounting for fluid pressurization in soft tissues have been proposed to study the viscoelastic response of the healthy and impaired knee joints. While the constitutive modeling has been considerably advanced at the tissue level, many challenges still exist in applying a good material model to three-dimensional joint simulations. A complete model validation at the joint level seems impossible presently, because only simple data can be obtained experimentally. Therefore, model validation may be concentrated on the constitutive laws using multiple mechanical tests of the tissues. Extensive model verifications at the joint level are still crucial for the accuracy of the modeling. PMID:23509602

Pathological mechanism of musculoskeletal manifestations associated with CRPS type II: an animal study.

Science.gov (United States)

Ota, Hideyuki; Arai, Tetsuya; Iwatsuki, Katsuyuki; Urano, Hideki; Kurahashi, Toshikazu; Kato, Shuichi; Yamamoto, Michiro; Hirata, Hitoshi

2014-10-01

Patients with complex regional pain syndrome (CRPS) often complain of abnormal sensations beyond the affected body part, but causes of this spread of musculoskeletal manifestations into contiguous areas remain unclear. In addition, immobilization can predispose to the development of CRPS. We examined functional, biochemical, and histological alterations in affected parts, including contiguous zones, using an animal model. Ten-week-old male Wistar rats were assigned to 5 groups: a normal group receiving no treatment, a sham operation group with surgical exploration, an immobilization group with surgical exploration plus internal knee joint immobilization, a surgical neuropathy group prepared by spinal nerve ligation (SNL) of the left L5 nerve root, and a surgical neuropathy+immobilization group with simultaneous SNL and knee joint immobilization. Mechanical allodynia and knee contracture were compared between groups, and tissues were harvested for histological assessments and gene and protein expression analyses. Neither surgical procedures nor immobilization induced detectable mechanical sensitivity. However, the addition of nerve injury resulted in detectable mechanical allodynia, and immobilization not only accelerated hyperalgesia, but also resulted in muscle fibrosis. Nerve growth factor (NGF) and other mediators of neurogenic inflammation were highly expressed not only in denervated muscles, but also in innervated muscles in contiguous areas, suggesting the spread of NGF production beyond the myotome of the injured nerve. Transforming growth factor β was involved in the development of contracture in CRPS. These findings imply that neuroinflammatory components play major roles in the progression and dispersion of both sensory pathologies and pathologies that are exacerbated by immobilization. Copyright © 2014 International Association for the Study of Pain. Published by Elsevier B.V. All rights reserved.

What then do we do about computer security?

Energy Technology Data Exchange (ETDEWEB)

Suppona, Roger A.; Mayo, Jackson R.; Davis, Christopher Edward; Berg, Michael J.; Wyss, Gregory Dane

2012-01-01

This report presents the answers that an informal and unfunded group at SNL provided for questions concerning computer security posed by Jim Gosler, Sandia Fellow (00002). The primary purpose of this report is to record our current answers; hopefully those answers will turn out to be answers indeed. The group was formed in November 2010. In November 2010 Jim Gosler, Sandia Fellow, asked several of us several pointed questions about computer security metrics. Never mind that some of the best minds in the field have been trying to crack this nut without success for decades. Jim asked Campbell to lead an informal and unfunded group to answer the questions. With time Jim invited several more Sandians to join in. We met a number of times both with Jim and without him. At Jim's direction we contacted a number of people outside Sandia who Jim thought could help. For example, we interacted with IBM's T.J. Watson Research Center and held a one-day, videoconference workshop with them on the questions.

Computation of Hydration Free Energies Using the Multiple Environment Single System Quantum Mechanical/Molecular Mechanical Method.

Science.gov (United States)

König, Gerhard; Mei, Ye; Pickard, Frank C; Simmonett, Andrew C; Miller, Benjamin T; Herbert, John M; Woodcock, H Lee; Brooks, Bernard R; Shao, Yihan

2016-01-12

A recently developed MESS-E-QM/MM method (multiple-environment single-system quantum mechanical molecular/mechanical calculations with a Roothaan-step extrapolation) is applied to the computation of hydration free energies for the blind SAMPL4 test set and for 12 small molecules. First, free energy simulations are performed with a classical molecular mechanics force field using fixed-geometry solute molecules and explicit TIP3P solvent, and then the non-Boltzmann-Bennett method is employed to compute the QM/MM correction (QM/MM-NBB) to the molecular mechanical hydration free energies. For the SAMPL4 set, MESS-E-QM/MM-NBB corrections to the hydration free energy can be obtained 2 or 3 orders of magnitude faster than fully converged QM/MM-NBB corrections, and, on average, the hydration free energies predicted with MESS-E-QM/MM-NBB fall within 0.10-0.20 kcal/mol of full-converged QM/MM-NBB results. Out of five density functionals (BLYP, B3LYP, PBE0, M06-2X, and ωB97X-D), the BLYP functional is found to be most compatible with the TIP3P solvent model and yields the most accurate hydration free energies against experimental values for solute molecules included in this study.

Computational mechanics of nonlinear response of shells

Energy Technology Data Exchange (ETDEWEB)

Kraetzig, W.B. (Bochum Univ. (Germany, F.R.). Inst. fuer Statik und Dynamik); Onate, E. (Universidad Politecnica de Cataluna, Barcelona (Spain). Escuela Tecnica Superior de Ingenieros de Caminos) (eds.)

1990-01-01

Shell structures and their components are utilized in a wide spectrum of engineering fields reaching from space and aircraft structures, pipes and pressure vessels over liquid storage tanks, off-shore installations, cooling towers and domes, to bodyworks of motor vehicles. Of continuously increasing importance is their nonlinear behavior, in which large deformations and large rotations are involved as well as nonlinear material properties. The book starts with a survey about nonlinear shell theories from the rigorous point of view of continuum mechanics, this starting point being unavoidable for modern computational concepts. There follows a series of papers on nonlinear, especially unstable shell responses, which draw computational connections to well established tools in the field of static and dynamic stability of systems. Several papers are then concerned with new finite element derivations for nonlinear shell problems, and finally a series of authors contribute to specific applications opening a small window of the above mentioned wide spectrum. (orig./HP) With 159 figs.

Computational mechanics of nonlinear response of shells

International Nuclear Information System (INIS)

Kraetzig, W.B.; Onate, E.

1990-01-01

Shell structures and their components are utilized in a wide spectrum of engineering fields reaching from space and aircraft structures, pipes and pressure vessels over liquid storage tanks, off-shore installations, cooling towers and domes, to bodyworks of motor vehicles. Of continuously increasing importance is their nonlinear behavior, in which large deformations and large rotations are involved as well as nonlinear material properties. The book starts with a survey about nonlinear shell theories from the rigorous point of view of continuum mechanics, this starting point being unavoidable for modern computational concepts. There follows a series of papers on nonlinear, especially unstable shell responses, which draw computational connections to well established tools in the field of static and dynamic stability of systems. Several papers are then concerned with new finite element derivations for nonlinear shell problems, and finally a series of authors contribute to specific applications opening a small window of the above mentioned wide spectrum. (orig./HP) With 159 figs

Computational mechanics research and support for aerodynamics and hydraulics at TFHRC year 1 quarter 4 progress report.

Energy Technology Data Exchange (ETDEWEB)

Lottes, S.A.; Kulak, R.F.; Bojanowski, C. (Energy Systems)

2011-12-09

The computational fluid dynamics (CFD) and computational structural mechanics (CSM) focus areas at Argonne's Transportation Research and Analysis Computing Center (TRACC) initiated a project to support and compliment the experimental programs at the Turner-Fairbank Highway Research Center (TFHRC) with high performance computing based analysis capabilities in August 2010. The project was established with a new interagency agreement between the Department of Energy and the Department of Transportation to provide collaborative research, development, and benchmarking of advanced three-dimensional computational mechanics analysis methods to the aerodynamics and hydraulics laboratories at TFHRC for a period of five years, beginning in October 2010. The analysis methods employ well-benchmarked and supported commercial computational mechanics software. Computational mechanics encompasses the areas of Computational Fluid Dynamics (CFD), Computational Wind Engineering (CWE), Computational Structural Mechanics (CSM), and Computational Multiphysics Mechanics (CMM) applied in Fluid-Structure Interaction (FSI) problems. The major areas of focus of the project are wind and water effects on bridges - superstructure, deck, cables, and substructure (including soil), primarily during storms and flood events - and the risks that these loads pose to structural failure. For flood events at bridges, another major focus of the work is assessment of the risk to bridges caused by scour of stream and riverbed material away from the foundations of a bridge. Other areas of current research include modeling of flow through culverts to assess them for fish passage, modeling of the salt spray transport into bridge girders to address suitability of using weathering steel in bridges, CFD analysis of the operation of the wind tunnel in the TFCHR wind engineering laboratory, vehicle stability under high wind loading, and the use of electromagnetic shock absorbers to improve vehicle stability

A computational environment for creating and testing reduced chemical kinetic mechanisms

Energy Technology Data Exchange (ETDEWEB)

Montgomery, C.J.; Swensen, D.A.; Harding, T.V.; Cremer, M.A.; Bockelie, M.J. [Reaction Engineering International, Salt Lake City, UT (USA)

2002-02-01

This paper describes software called computer assisted reduced mechanism problem solving environment (CARM-PSE) that gives the engineer the ability to rapidly set up, run and examine large numbers of problems comparing detailed and reduced (approximate) chemistry. CARM-PSE integrates the automatic chemical mechanism reduction code CARM and the codes that simulate perfectly stirred reactors and plug flow reactors into a user-friendly computational environment. CARM-PSE gives the combustion engineer the ability to easily test chemical approximations over many hundreds of combinations of inputs in a multidimensional parameter space. The demonstration problems compare detailed and reduced chemical kinetic calculations for methane-air combustion, including nitrogen oxide formation, in a stirred reactor and selective non-catalytic reduction of NOx, in coal combustion flue gas.

The history of theoretical, material and computational mechanics mathematics meets mechanics and engineering

CERN Document Server

2014-01-01

This collection of 23 articles is the output of lectures in special sessions on “The History of Theoretical, Material and Computational Mechanics” within the yearly conferences of the GAMM in the years 2010 in Karlsruhe, Germany, 2011 in Graz, Austria, and in 2012 in Darmstadt, Germany; GAMM is the “Association for Applied Mathematics and Mechanics”, founded in 1922 by Ludwig Prandtl and Richard von Mises. The contributions in this volume discuss different aspects of mechanics. They are related to solid and fluid mechanics in general and to specific problems in these areas including the development of numerical solution techniques. In the first part the origins and developments of conservation principles in mechanics and related variational methods are treated together with challenging applications from the 17th to the 20th century. Part II treats general and more specific aspects of material theories of deforming solid continua and porous soils. and Part III presents important theoretical and enginee...

Preface to special issue of selected papers from Theoretical, Experimental, and Computational Mechanics (TECM)

DEFF Research Database (Denmark)

Jabbari, Masoud; Sarlak Chivaee, Hamid; Hattel, Jesper Henri

2017-01-01

We are pleased to introduce this special issue of the Applied Mathematical Modelling journal with highlights from theTheoretical, Experimental, and Computational Mechanics Symposium (TECM-2015). This special issue consists of four rigorouslyselected papers originally presented at TECM-2015...... as a part of the 13th International Conference of Numerical Analysisand Applied Mathematics 2015 (ICNAAM 2015), which was held on 23-29 September 2015 in Rhodes, Greece.The symposium attracted a broad range of international and local leaders in theoretical, experimental, and computational mechanics across...... various fields and application. The symposium did an excellent job of outlining the current landscape of computational mechanics and its capabilities in solving complex industrial problems in the process industries, and we agree with the editor-in-chief of the journal that it is certainly worthwhile...

Summary of International Waste Management Programs (LLNL Input to SNL L3 MS: System-Wide Integration and Site Selection Concepts for Future Disposition Options for HLW)

Energy Technology Data Exchange (ETDEWEB)

Greenberg, Harris R. [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States); Blink, James A. [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States); Halsey, William G. [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States); Sutton, Mark [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States)

2011-08-11

The Used Fuel Disposition Campaign (UFDC) within the Department of Energy’s Office of Nuclear Energy (DOE-NE) Fuel Cycle Technology (FCT) program has been tasked with investigating the disposal of the nation’s spent nuclear fuel (SNF) and high-level nuclear waste (HLW) for a range of potential waste forms and geologic environments. This Lessons Learned task is part of a multi-laboratory effort, with this LLNL report providing input to a Level 3 SNL milestone (System-Wide Integration and Site Selection Concepts for Future Disposition Options for HLW). The work package number is: FTLL11UF0328; the work package title is: Technical Bases / Lessons Learned; the milestone number is: M41UF032802; and the milestone title is: “LLNL Input to SNL L3 MS: System-Wide Integration and Site Selection Concepts for Future Disposition Options for HLW”. The system-wide integration effort will integrate all aspects of waste management and disposal, integrating the waste generators, interim storage, transportation, and ultimate disposal at a repository site. The review of international experience in these areas is required to support future studies that address all of these components in an integrated manner. Note that this report is a snapshot of nuclear power infrastructure and international waste management programs that is current as of August 2011, with one notable exception. No attempt has been made to discuss the currently evolving world-wide response to the tragic consequences of the earthquake and tsunami that devastated Japan on March 11, 2011, leaving more than 15,000 people dead and more than 8,000 people missing, and severely damaging the Fukushima Daiichi nuclear power complex. Continuing efforts in FY 2012 will update the data, and summarize it in an Excel spreadsheet for easy comparison and assist in the knowledge management of the study cases.

Subglacial sediment mechanics investigated by computer simulation of granular material

DEFF Research Database (Denmark)

Damsgaard, Anders; Egholm, David Lundbek; Tulaczyk, Slawek

The mechanical properties of subglacial sediments are known to directly influence the stability of ice streams and fast-moving glaciers, but existing models of granular sediment deformation are poorly constrained. In addition, upscaling to generalized mathematical models is difficult due to the m......The mechanical properties of subglacial sediments are known to directly influence the stability of ice streams and fast-moving glaciers, but existing models of granular sediment deformation are poorly constrained. In addition, upscaling to generalized mathematical models is difficult due....... The numerical method is applied to better understand the mechanical properties of the subglacial sediment and its interaction with meltwater. The computational approach allows full experimental control and offers insights into the internal kinematics, stress distribution, and mechanical stability. During...

SEAPATH: A microcomputer code for evaluating physical security effectiveness using adversary sequence diagrams

International Nuclear Information System (INIS)

Darby, J.L.

1986-01-01

The Adversary Sequence Diagram (ASD) concept was developed by Sandia National Laboratories (SNL) to examine physical security system effectiveness. Sandia also developed a mainframe computer code, PANL, to analyze the ASD. The authors have developed a microcomputer code, SEAPATH, which also analyzes ASD's. The Authors are supporting SNL in software development of the SAVI code; SAVI utilizes the SEAPATH algorithm to identify and quantify paths

Proceedings of the Twenty Second Nordic Seminar on Computational Mechanics

DEFF Research Database (Denmark)

This book contains the proceedings of the Twenty Second Nordic Seminar on Computational Mechanics (NSCM22), taking event 22-23 October 2009 at Aalborg University, Denmark. The papers presented at the Optimization Seminar in Honour of Niels Olhoff, held 21 October 2009 at Aalborg University, Denmark...

Review of the status of validation of the computer codes used in the severe accident source term reassessment study (BMI-2104)

International Nuclear Information System (INIS)

Kress, T.S.

1985-04-01

The determination of severe accident source terms must, by necessity it seems, rely heavily on the use of complex computer codes. Source term acceptability, therefore, rests on the assessed validity of such codes. Consequently, one element of NRC's recent efforts to reassess LWR severe accident source terms is to provide a review of the status of validation of the computer codes used in the reassessment. The results of this review is the subject of this document. The separate review documents compiled in this report were used as a resource along with the results of the BMI-2104 study by BCL and the QUEST study by SNL to arrive at a more-or-less independent appraisal of the status of source term modeling at this time

Computer-based mechanical design of overhead lines

Science.gov (United States)

Rusinaru, D.; Bratu, C.; Dinu, R. C.; Manescu, L. G.

2016-02-01

Beside the performance, the safety level according to the actual standards is a compulsory condition for distribution grids’ operation. Some of the measures leading to improvement of the overhead lines reliability ask for installations’ modernization. The constraints imposed to the new lines components refer to the technical aspects as thermal stress or voltage drop, and look for economic efficiency, too. The mechanical sizing of the overhead lines is after all an optimization problem. More precisely, the task in designing of the overhead line profile is to size poles, cross-arms and stays and locate poles along a line route so that the total costs of the line's structure to be minimized and the technical and safety constraints to be fulfilled.The authors present in this paper an application for the Computer-Based Mechanical Design of the Overhead Lines and the features of the corresponding Visual Basic program, adjusted to the distribution lines. The constraints of the optimization problem are adjusted to the existing weather and loading conditions of Romania. The outputs of the software application for mechanical design of overhead lines are: the list of components chosen for the line: poles, cross-arms, stays; the list of conductor tension and forces for each pole, cross-arm and stay for different weather conditions; the line profile drawings.The main features of the mechanical overhead lines design software are interactivity, local optimization function and high-level user-interface

Computing pKa Values with a Mixing Hamiltonian Quantum Mechanical/Molecular Mechanical Approach.

Science.gov (United States)

Liu, Yang; Fan, Xiaoli; Jin, Yingdi; Hu, Xiangqian; Hu, Hao

2013-09-10

Accurate computation of the pKa value of a compound in solution is important but challenging. Here, a new mixing quantum mechanical/molecular mechanical (QM/MM) Hamiltonian method is developed to simulate the free-energy change associated with the protonation/deprotonation processes in solution. The mixing Hamiltonian method is designed for efficient quantum mechanical free-energy simulations by alchemically varying the nuclear potential, i.e., the nuclear charge of the transforming nucleus. In pKa calculation, the charge on the proton is varied in fraction between 0 and 1, corresponding to the fully deprotonated and protonated states, respectively. Inspired by the mixing potential QM/MM free energy simulation method developed previously [H. Hu and W. T. Yang, J. Chem. Phys. 2005, 123, 041102], this method succeeds many advantages of a large class of λ-coupled free-energy simulation methods and the linear combination of atomic potential approach. Theory and technique details of this method, along with the calculation results of the pKa of methanol and methanethiol molecules in aqueous solution, are reported. The results show satisfactory agreement with the experimental data.

Nanostructured interfaces for enhancing mechanical properties of composites: Computational micromechanical studies

DEFF Research Database (Denmark)

Mishnaevsky, Leon

2015-01-01

Computational micromechanical studies of the effect of nanostructuring and nanoengineering of interfaces, phase and grain boundaries of materials on the mechanical properties and strength of materials and the potential of interface nanostructuring to enhance the materials properties are reviewed....

Revisiting Newtonian and Non-Newtonian Fluid Mechanics Using Computer Algebra

Science.gov (United States)

Knight, D. G.

2006-01-01

This article illustrates how a computer algebra system, such as Maple[R], can assist in the study of theoretical fluid mechanics, for both Newtonian and non-Newtonian fluids. The continuity equation, the stress equations of motion, the Navier-Stokes equations, and various constitutive equations are treated, using a full, but straightforward,…

High-performance computing for structural mechanics and earthquake/tsunami engineering

CERN Document Server

Hori, Muneo; Ohsaki, Makoto

2016-01-01

Huge earthquakes and tsunamis have caused serious damage to important structures such as civil infrastructure elements, buildings and power plants around the globe.  To quantitatively evaluate such damage processes and to design effective prevention and mitigation measures, the latest high-performance computational mechanics technologies, which include telascale to petascale computers, can offer powerful tools. The phenomena covered in this book include seismic wave propagation in the crust and soil, seismic response of infrastructure elements such as tunnels considering soil-structure interactions, seismic response of high-rise buildings, seismic response of nuclear power plants, tsunami run-up over coastal towns and tsunami inundation considering fluid-structure interactions. The book provides all necessary information for addressing these phenomena, ranging from the fundamentals of high-performance computing for finite element methods, key algorithms of accurate dynamic structural analysis, fluid flows ...

Neuronal hyperexcitability in the ventral posterior thalamus of neuropathic rats: modality selective effects of pregabalin.

Science.gov (United States)

Patel, Ryan; Dickenson, Anthony H

2016-07-01

Neuropathic pain represents a substantial clinical challenge; understanding the underlying neural mechanisms and back-translation of therapeutics could aid targeting of treatments more effectively. The ventral posterior thalamus (VP) is the major termination site for the spinothalamic tract and relays nociceptive activity to the somatosensory cortex; however, under neuropathic conditions, it is unclear how hyperexcitability of spinal neurons converges onto thalamic relays. This study aimed to identify neural substrates of hypersensitivity and the influence of pregabalin on central processing. In vivo electrophysiology was performed to record from VP wide dynamic range (WDR) and nociceptive-specific (NS) neurons in anesthetized spinal nerve-ligated (SNL), sham-operated, and naive rats. In neuropathic rats, WDR neurons had elevated evoked responses to low- and high-intensity punctate mechanical stimuli, dynamic brushing, and innocuous and noxious cooling, but less so to heat stimulation, of the receptive field. NS neurons in SNL rats also displayed increased responses to noxious punctate mechanical stimulation, dynamic brushing, noxious cooling, and noxious heat. Additionally, WDR, but not NS, neurons in SNL rats exhibited substantially higher rates of spontaneous firing, which may correlate with ongoing pain. The ratio of WDR-to-NS neurons was comparable between SNL and naive/sham groups, suggesting relatively few NS neurons gain sensitivity to low-intensity stimuli leading to a "WDR phenotype." After neuropathy was induced, the proportion of cold-sensitive WDR and NS neurons increased, supporting the suggestion that changes in frequency-dependent firing and population coding underlie cold hypersensitivity. In SNL rats, pregabalin inhibited mechanical and heat responses but not cold-evoked or elevated spontaneous activity. Copyright © 2016 the American Physiological Society.

Developmental Changes in Learning: Computational Mechanisms and Social Influences

Directory of Open Access Journals (Sweden)

Florian Bolenz

2017-11-01

Full Text Available Our ability to learn from the outcomes of our actions and to adapt our decisions accordingly changes over the course of the human lifespan. In recent years, there has been an increasing interest in using computational models to understand developmental changes in learning and decision-making. Moreover, extensions of these models are currently applied to study socio-emotional influences on learning in different age groups, a topic that is of great relevance for applications in education and health psychology. In this article, we aim to provide an introduction to basic ideas underlying computational models of reinforcement learning and focus on parameters and model variants that might be of interest to developmental scientists. We then highlight recent attempts to use reinforcement learning models to study the influence of social information on learning across development. The aim of this review is to illustrate how computational models can be applied in developmental science, what they can add to our understanding of developmental mechanisms and how they can be used to bridge the gap between psychological and neurobiological theories of development.

Using Computational and Mechanical Models to Study Animal Locomotion

Science.gov (United States)

Miller, Laura A.; Goldman, Daniel I.; Hedrick, Tyson L.; Tytell, Eric D.; Wang, Z. Jane; Yen, Jeannette; Alben, Silas

2012-01-01

Recent advances in computational methods have made realistic large-scale simulations of animal locomotion possible. This has resulted in numerous mathematical and computational studies of animal movement through fluids and over substrates with the purpose of better understanding organisms’ performance and improving the design of vehicles moving through air and water and on land. This work has also motivated the development of improved numerical methods and modeling techniques for animal locomotion that is characterized by the interactions of fluids, substrates, and structures. Despite the large body of recent work in this area, the application of mathematical and numerical methods to improve our understanding of organisms in the context of their environment and physiology has remained relatively unexplored. Nature has evolved a wide variety of fascinating mechanisms of locomotion that exploit the properties of complex materials and fluids, but only recently are the mathematical, computational, and robotic tools available to rigorously compare the relative advantages and disadvantages of different methods of locomotion in variable environments. Similarly, advances in computational physiology have only recently allowed investigators to explore how changes at the molecular, cellular, and tissue levels might lead to changes in performance at the organismal level. In this article, we highlight recent examples of how computational, mathematical, and experimental tools can be combined to ultimately answer the questions posed in one of the grand challenges in organismal biology: “Integrating living and physical systems.” PMID:22988026

Computational environment and software configuration management of the 1996 performance assessment for the Waste Isolation Pilot Plant

International Nuclear Information System (INIS)

Froehlich, G.K.; Williamson, C.M.; Ogden, H.C.

2000-01-01

The US Department of Energy (DOE) Waste Isolation Pilot Plant (WIPP), located in southeast New Mexico, is a deep geologic repository for the permanent disposal of transuranic waste generated by DOE defense-related activities. Sandia National Laboratories (SNL), in its role as scientific advisor to the DOE, is responsible for evaluating the long-term performance of the WIPP. This risk-based Performance Assessment (PA) is accomplished in part through the use of numerous scientific modeling codes, which rely for some of their inputs on data gathered during characterization of the site. The PA is subject to formal requirements set forth in federal regulations. In particular, the components of the calculation fall under the configuration management and software quality assurance aegis of the American Society of Mechanical Engineers (ASME) Nuclear Quality Assurance (NQA) requirements. This paper describes SNL's implementation of the NQA requirements regarding configuration management. The complexity of the PA calculation is described, and the rationale for developing a flexible, robust run-control process is discussed. The run-control implementation is described, and its integration with the configuration-management system is then explained, to show how a calculation requiring 37,000 CPU-hours, and involving 225,000 output files totaling 95 GB, was accomplished in 5 months by two individuals, with full traceability and reproducibility

Computational environment and software configuration management of the 1996 performance assessment for the Waste Isolation Pilot Plant

International Nuclear Information System (INIS)

Froehlich, Gary K.; Williamson, Charles Michael; Ogden, Harvey C.

2000-01-01

The US Department of Energy (DOE) Waste Isolation Pilot Plant (WIPP), located in southeast New Mexico, is a deep geologic repository for the permanent disposal of transuranic waste generated by DOE defense-related activities. Sandia National Laboratories (SNL), in its role as scientific advisor to the DOE, is responsible for evaluating the long-term performance of the WIPP. This risk-based Performance Assessment (PA) is accomplished in part through the use of numerous scientific modeling codes, which rely for some of their inputs on data gathered during characterization of the site. The PA is subject to formal requirements set forth in federal regulations. In particular, the components of the calculation fall under the configuration management and software quality assurance aegis of the American Society of Mechanical Engineers (ASME) Nuclear Quality Assurance (NQA) requirements. This paper describes SNL's implementation of the NQA requirements regarding configuration management. The complexity of the PA calculation is described, and the rationale for developing a flexible, robust run-control process is discussed. The run-control implementation is described, and its integration with the configuration-management system is then explained, to show how a calculation requiring 37,000 CPU-hours, and involving 225,000 output files totaling 95 Gigabytes, was accomplished in 5 months by 2 individuals, with full traceability and reproducibility

Red Storm usage model :Version 1.12.

Energy Technology Data Exchange (ETDEWEB)

Jefferson, Karen L.; Sturtevant, Judith E.

2005-12-01

Red Storm is an Advanced Simulation and Computing (ASC) funded massively parallel supercomputer located at Sandia National Laboratories (SNL). The Red Storm Usage Model (RSUM) documents the capabilities and the environment provided for the FY05 Tri-Lab Level II Limited Availability Red Storm User Environment Milestone and the FY05 SNL Level II Limited Availability Red Storm Platform Milestone. This document describes specific capabilities, tools, and procedures to support both local and remote users. The model is focused on the needs of the ASC user working in the secure computing environments at Los Alamos National Laboratory (LANL), Lawrence Livermore National Laboratory (LLNL), and SNL. Additionally, the Red Storm Usage Model maps the provided capabilities to the Tri-Lab ASC Computing Environment (ACE) requirements. The ACE requirements reflect the high performance computing requirements for the ASC community and have been updated in FY05 to reflect the community's needs. For each section of the RSUM, Appendix I maps the ACE requirements to the Limited Availability User Environment capabilities and includes a description of ACE requirements met and those requirements that are not met in that particular section. The Red Storm Usage Model, along with the ACE mappings, has been issued and vetted throughout the Tri-Lab community.

Understanding organometallic reaction mechanisms and catalysis experimental and computational tools computational and experimental tools

CERN Document Server

Ananikov, Valentin P

2014-01-01

Exploring and highlighting the new horizons in the studies of reaction mechanisms that open joint application of experimental studies and theoretical calculations is the goal of this book. The latest insights and developments in the mechanistic studies of organometallic reactions and catalytic processes are presented and reviewed. The book adopts a unique approach, exemplifying how to use experiments, spectroscopy measurements, and computational methods to reveal reaction pathways and molecular structures of catalysts, rather than concentrating solely on one discipline. The result is a deeper

Multiscale Mechanics of Articular Cartilage: Potentials and Challenges of Coupling Musculoskeletal, Joint, and Microscale Computational Models

Science.gov (United States)

Halloran, J. P.; Sibole, S.; van Donkelaar, C. C.; van Turnhout, M. C.; Oomens, C. W. J.; Weiss, J. A.; Guilak, F.; Erdemir, A.

2012-01-01

Articular cartilage experiences significant mechanical loads during daily activities. Healthy cartilage provides the capacity for load bearing and regulates the mechanobiological processes for tissue development, maintenance, and repair. Experimental studies at multiple scales have provided a fundamental understanding of macroscopic mechanical function, evaluation of the micromechanical environment of chondrocytes, and the foundations for mechanobiological response. In addition, computational models of cartilage have offered a concise description of experimental data at many spatial levels under healthy and diseased conditions, and have served to generate hypotheses for the mechanical and biological function. Further, modeling and simulation provides a platform for predictive risk assessment, management of dysfunction, as well as a means to relate multiple spatial scales. Simulation-based investigation of cartilage comes with many challenges including both the computational burden and often insufficient availability of data for model development and validation. This review outlines recent modeling and simulation approaches to understand cartilage function from a mechanical systems perspective, and illustrates pathways to associate mechanics with biological function. Computational representations at single scales are provided from the body down to the microstructure, along with attempts to explore multiscale mechanisms of load sharing that dictate the mechanical environment of the cartilage and chondrocytes. PMID:22648577

Mechanical behavior of peripheral stents and stent-vessel interaction: A computational study

Science.gov (United States)

Dottori, Serena; Flamini, Vittoria; Vairo, Giuseppe

2016-05-01

In this paper stents employed to treat peripheral artery disease are analyzed through a three-dimensional finite-element approach, based on a large-strain and large-displacement formulation. Aiming to evaluate the influence of some stent design parameters on stent mechanics and on the biomechanical interaction between stent and arterial wall, quasi-static and dynamic numerical analyses are carried out by referring to computational models of commercially and noncommercially available versions of both braided self-expandable stents and balloon-expandable stents. Addressing isolated device models, opening mechanisms and flexibility of both opened and closed stent configurations are numerically experienced. Moreover, stent deployment into a stenotic peripheral artery and possible postdilatation angioplasty (the latter for the self-expandable device only) are simulated by considering different idealized vessel geometries and accounting for the presence of a stenotic plaque. Proposed results highlight important differences in the mechanical response of the two types of stents, as well as a significant influence of the vessel shape on the stress distributions arising upon the artery-plaque system. Finally, computational results are used to assess both the stent mechanical performance and the effectiveness of the stenting treatment, allowing also to identify possible critical conditions affecting the risk of stent fracture, tissue damage, and/or pathological tissue response.

The failure mechanisms of HTR coated particle fuel and computer code

International Nuclear Information System (INIS)

Yang Lin; Liu Bing; Shao Youlin; Liang Tongxiang; Tang Chunhe

2010-01-01

The basic constituent unit of fuel element in HTR is ceramic coated particle fuel. And the performance of coated particle fuel determines the safety of HTR. In addition to the traditional detection of radiation experiments, establishing computer code is of great significance to the research. This paper mainly introduces the structure and the failure mechanism of TRISO-coated particle fuel, as well as a few basic assumptions,principles and characteristics of some existed main overseas codes. Meanwhile, this paper has proposed direction of future research by comparing the advantages and disadvantages of several computer codes. (authors)

Microstructure-Based Computational Modeling of Mechanical Behavior of Polymer Micro/Nano Composites

Science.gov (United States)

2013-12-01

automotive, defense, sport, civil, aerospace, health , etc.). Here, a combination of non-linear thermo-viscoelastic (Schapery’s non-linear...2001. Three-dimensional computational micro-mechanical model for woven fabric composites. Composite Structures 54, 489-496. Jacob, G.C., Starbuck

Multi-kanban mechanism for personal computer disassembly

Science.gov (United States)

Udomsawat, Gun; Gupta, Surendra M.; Kamarthi, Sagar V.

2004-12-01

The use of personal computers (PCs) continues to increase every year. According to a 1999 figure, 50 percent of all US households owned PCs, a figure that continues to rise every year. With continuous development of sophisticated software, PCs are becoming increasingly powerful. In addition, the price of a PC continues to steadily decline. Furthermore, the typical life of a PC in the workplace is approximately two to three years while in the home it is three to five years. As these PCs become obsolete, they are replaced and the old PCs are disposed of. It is estimated that between 14 and 20 million PCs are retired annually in the US. While 20 to 30% of the units may be resold, the others are discarded. These discards represent a significant potential source of lead for the waste stream. In some communities, waste cathode ray tubes (CRTs) represent the second largest source of lead in the waste stream after vehicular lead acid batteries. PCs are, therefore, not suitable for dumping in landfills. Besides, several components of a PC can be reused and then there are other valuable materials that can also be harvested. And with the advent of product stewardship, product recovery is the best solution for manufacturers. Disassembly line is perhaps the most suitable set up for disassembling PCs. However, planning and scheduling of disassembly on a disassembly line is complicated. In this paper, we discuss some of the complications including product arrival, demand arrival, inventory fluctuation and production control mechanisms. We then show how to overcome them by implementing a multi-kanban mechanism in the PC disassembly line setting. The multi-kanban mechanism relies on dynamic routing of kanbans according to the state of the system. We investigate the multi-kanban mechanism using simulation and demonstrate that this mechanism is superior to the traditional push system in terms of controlling the system"s inventory while maintaining a decent customer service level.

Baseline ecological footprint of Sandia National Laboratories, New Mexico.

Energy Technology Data Exchange (ETDEWEB)

Coplen, Amy K.; Mizner, Jack Harry,; Ubechel, Norion M.

2009-01-01

The Ecological Footprint Model is a mechanism for measuring the environmental effects of operations at Sandia National Laboratories in Albuquerque, New Mexico (SNL/NM). This analysis quantifies environmental impact associated with energy use, transportation, waste, land use, and water consumption at SNL/NM for fiscal year 2005 (FY05). Since SNL/NMs total ecological footprint (96,434 gha) is greater than the waste absorption capacity of its landholdings (338 gha), it created an ecological deficit of 96,096 gha. This deficit is equal to 886,470lha, or about 3,423 square miles of Pinyon-Juniper woodlands and desert grassland. 89% of the ecological footprint can be attributed to energy use, indicating that in order to mitigate environmental impact, efforts should be focused on energy efficiency, energy reduction, and the incorporation of additional renewable energy alternatives at SNL/NM.

Minocycline treatment inhibits microglial activation and alters spinal levels of endocannabinoids in a rat model of neuropathic pain

Directory of Open Access Journals (Sweden)

Elphick Maurice R

2009-07-01

Full Text Available Abstract Activation of spinal microglia contributes to aberrant pain responses associated with neuropathic pain states. Endocannabinoids (ECs are present in the spinal cord, and inhibit nociceptive processing; levels of ECs may be altered by microglia which modulate the turnover of endocannabinoids in vitro. Here, we investigate the effect of minocycline, an inhibitor of activated microglia, on levels of the endocannabinoids anandamide and 2-arachidonoylglycerol (2-AG, and the related compound N-palmitoylethanolamine (PEA, in neuropathic spinal cord. Selective spinal nerve ligation (SNL in rats resulted in mechanical allodynia and the presence of activated microglia in the ipsilateral spinal cord. Chronic daily treatment with minocycline (30 mg/kg, ip for 14 days significantly reduced the development of mechanical allodynia at days 5, 10 and 14 post-SNL surgery, compared to vehicle-treated SNL rats (P P P P P

Development of a fourth generation predictive capability maturity model.

Energy Technology Data Exchange (ETDEWEB)

Hills, Richard Guy; Witkowski, Walter R.; Urbina, Angel; Rider, William J.; Trucano, Timothy Guy

2013-09-01

The Predictive Capability Maturity Model (PCMM) is an expert elicitation tool designed to characterize and communicate completeness of the approaches used for computational model definition, verification, validation, and uncertainty quantification associated for an intended application. The primary application of this tool at Sandia National Laboratories (SNL) has been for physics-based computational simulations in support of nuclear weapons applications. The two main goals of a PCMM evaluation are 1) the communication of computational simulation capability, accurately and transparently, and 2) the development of input for effective planning. As a result of the increasing importance of computational simulation to SNLs mission, the PCMM has evolved through multiple generations with the goal to provide more clarity, rigor, and completeness in its application. This report describes the approach used to develop the fourth generation of the PCMM.

Singularities of robot mechanisms numerical computation and avoidance path planning

CERN Document Server

Bohigas, Oriol; Ros, Lluís

2017-01-01

This book presents the singular configurations associated with a robot mechanism, together with robust methods for their computation, interpretation, and avoidance path planning. Having such methods is essential as singularities generally pose problems to the normal operation of a robot, but also determine the workspaces and motion impediments of its underlying mechanical structure. A distinctive feature of this volume is that the methods are applicable to nonredundant mechanisms of general architecture, defined by planar or spatial kinematic chains interconnected in an arbitrary way. Moreover, singularities are interpreted as silhouettes of the configuration space when seen from the input or output spaces. This leads to a powerful image that explains the consequences of traversing singular configurations, and all the rich information that can be extracted from them. The problems are solved by means of effective branch-and-prune and numerical continuation methods that are of independent interest in themselves...

Parallel computing in experimental mechanics and optical measurement: A review (II)

Science.gov (United States)

Wang, Tianyi; Kemao, Qian

2018-05-01

With advantages such as non-destructiveness, high sensitivity and high accuracy, optical techniques have successfully integrated into various important physical quantities in experimental mechanics (EM) and optical measurement (OM). However, in pursuit of higher image resolutions for higher accuracy, the computation burden of optical techniques has become much heavier. Therefore, in recent years, heterogeneous platforms composing of hardware such as CPUs and GPUs, have been widely employed to accelerate these techniques due to their cost-effectiveness, short development cycle, easy portability, and high scalability. In this paper, we analyze various works by first illustrating their different architectures, followed by introducing their various parallel patterns for high speed computation. Next, we review the effects of CPU and GPU parallel computing specifically in EM & OM applications in a broad scope, which include digital image/volume correlation, fringe pattern analysis, tomography, hyperspectral imaging, computer-generated holograms, and integral imaging. In our survey, we have found that high parallelism can always be exploited in such applications for the development of high-performance systems.

Numerical aspects for efficient welding computational mechanics

Directory of Open Access Journals (Sweden)

Aburuga Tarek Kh.S.

2014-01-01

Full Text Available The effect of the residual stresses and strains is one of the most important parameter in the structure integrity assessment. A finite element model is constructed in order to simulate the multi passes mismatched submerged arc welding SAW which used in the welded tensile test specimen. Sequentially coupled thermal mechanical analysis is done by using ABAQUS software for calculating the residual stresses and distortion due to welding. In this work, three main issues were studied in order to reduce the time consuming during welding simulation which is the major problem in the computational welding mechanics (CWM. The first issue is dimensionality of the problem. Both two- and three-dimensional models are constructed for the same analysis type, shell element for two dimension simulation shows good performance comparing with brick element. The conventional method to calculate residual stress is by using implicit scheme that because of the welding and cooling time is relatively high. In this work, the author shows that it could use the explicit scheme with the mass scaling technique, and time consuming during the analysis will be reduced very efficiently. By using this new technique, it will be possible to simulate relatively large three dimensional structures.

Tanshinone IIA attenuates neuropathic pain via inhibiting glial activation and immune response.

Science.gov (United States)

Cao, Fa-Le; Xu, Min; Wang, Yan; Gong, Ke-Rui; Zhang, Jin-Tao

2015-01-01

Neuropathic pain, characterized by spontaneous pain, hyperalgesia and allodynia, is a devastating neurological disease that seriously affects patients' quality of life. We have previously shown that tanshinone IIA (TIIA), an important lipophilic component of Danshen, had significant anti-nociceptive effect in somatic and visceral pain, it is surprisingly noted that few pharmacological studies have been carried out to explore the possible analgesic action of TIIA on neuropathic pain and the underlying mechanisms. Therefore, in the present study, by using spinal nerve ligation (SNL) pain model, the antinociceptive and antihyperalgesic effects of TIIA on neuropathic pain were evaluated by intraperitoneal administration in rats. The results indicated that TIIA dose-dependently inhibited SNL-induced mechanical hyperalgesia. As revealed by OX42 levels, TIIA effectively repressed the activation of spinal microglial activation in SNL-induced neuropathic pain. Meanwhile, TIIA also decreased the expressions of inflammatory cytokines TNF-α and IL-1β in the spinal cord. Furthermore, TIIA inhibited oxidative stress by significantly rescuing the superoxide dismutase (SOD) activity and decreasing the malondialdehyde (MDA). Moreover, TIIA depressed SNL-induced MAPKs activation in spinal cord. Taken together, our study provides evidence that TIIA inhibited SNL-induced neuropathic pain through depressing microglial activation and immune response by the inhibition of mitogen-activated protein kinases (MAPKs) pathways. Our findings suggest that TIIA might be a promising agent in the treatment of neuropathic pain. Copyright © 2014 Elsevier Inc. All rights reserved.

Application of computational fluid mechanics to atmospheric pollution problems

Science.gov (United States)

Hung, R. J.; Liaw, G. S.; Smith, R. E.

1986-01-01

One of the most noticeable effects of air pollution on the properties of the atmosphere is the reduction in visibility. This paper reports the results of investigations of the fluid dynamical and microphysical processes involved in the formation of advection fog on aerosols from combustion-related pollutants, as condensation nuclei. The effects of a polydisperse aerosol distribution, on the condensation/nucleation processes which cause the reduction in visibility are studied. This study demonstrates how computational fluid mechanics and heat transfer modeling can be applied to simulate the life cycle of the atmosphereic pollution problems.

A Multi-Scale Computational Study on the Mechanism of Streptococcus pneumoniae Nicotinamidase (SpNic)

OpenAIRE

Ion, Bogdan; Kazim, Erum; Gauld, James

2014-01-01

Nicotinamidase (Nic) is a key zinc-dependent enzyme in NAD metabolism that catalyzes the hydrolysis of nicotinamide to give nicotinic acid. A multi-scale computational approach has been used to investigate the catalytic mechanism, substrate binding and roles of active site residues of Nic from Streptococcus pneumoniae (SpNic). In particular, density functional theory (DFT), molecular dynamics (MD) and ONIOM quantum mechanics/molecular mechanics (QM/MM) methods have been employed. The o...

Insights into the Thiamine Diphosphate Enzyme Activation Mechanism: Computational Model for Transketolase Using a Quantum Mechanical/Molecular Mechanical Method.

Science.gov (United States)

Nauton, Lionel; Hélaine, Virgil; Théry, Vincent; Hecquet, Laurence

2016-04-12

We propose the first computational model for transketolase (TK), a thiamine diphosphate (ThDP)-dependent enzyme, using a quantum mechanical/molecular mechanical method on the basis of crystallographic TK structures from yeast and Escherichia coli, together with experimental kinetic data reported in the literature with wild-type and mutant TK. This model allowed us to define a new route for ThDP activation in the enzyme environment. We evidenced a strong interaction between ThDP and Glu418B of the TK active site, itself stabilized by Glu162A. The crucial point highlighted here is that deprotonation of ThDP C2 is not performed by ThDP N4' as reported in the literature, but by His481B, involving a HOH688A molecule bridge. Thus, ThDP N4' is converted from an amino form to an iminium form, ensuring the stabilization of the C2 carbanion or carbene. Finally, ThDP activation proceeds via an intermolecular process and not by an intramolecular one as reported in the literature. More generally, this proposed ThDP activation mechanism can be applied to some other ThDP-dependent enzymes and used to define the entire TK mechanism with donor and acceptor substrates more accurately.

A Safety Resource Allocation Mechanism against Connection Fault for Vehicular Cloud Computing

Directory of Open Access Journals (Sweden)

Tianpeng Ye

2016-01-01

Full Text Available The Intelligent Transportation System (ITS becomes an important component of the smart city toward safer roads, better traffic control, and on-demand service by utilizing and processing the information collected from sensors of vehicles and road side infrastructure. In ITS, Vehicular Cloud Computing (VCC is a novel technology balancing the requirement of complex services and the limited capability of on-board computers. However, the behaviors of the vehicles in VCC are dynamic, random, and complex. Thus, one of the key safety issues is the frequent disconnections between the vehicle and the Vehicular Cloud (VC when this vehicle is computing for a service. More important, the connection fault will disturb seriously the normal services of VCC and impact the safety works of the transportation. In this paper, a safety resource allocation mechanism is proposed against connection fault in VCC by using a modified workflow with prediction capability. We firstly propose the probability model for the vehicle movement which satisfies the high dynamics and real-time requirements of VCC. And then we propose a Prediction-based Reliability Maximization Algorithm (PRMA to realize the safety resource allocation for VCC. The evaluation shows that our mechanism can improve the reliability and guarantee the real-time performance of the VCC.

Computation and Communication Evaluation of an Authentication Mechanism for Time-Triggered Networked Control Systems

Science.gov (United States)

Martins, Goncalo; Moondra, Arul; Dubey, Abhishek; Bhattacharjee, Anirban; Koutsoukos, Xenofon D.

2016-01-01

In modern networked control applications, confidentiality and integrity are important features to address in order to prevent against attacks. Moreover, network control systems are a fundamental part of the communication components of current cyber-physical systems (e.g., automotive communications). Many networked control systems employ Time-Triggered (TT) architectures that provide mechanisms enabling the exchange of precise and synchronous messages. TT systems have computation and communication constraints, and with the aim to enable secure communications in the network, it is important to evaluate the computational and communication overhead of implementing secure communication mechanisms. This paper presents a comprehensive analysis and evaluation of the effects of adding a Hash-based Message Authentication (HMAC) to TT networked control systems. The contributions of the paper include (1) the analysis and experimental validation of the communication overhead, as well as a scalability analysis that utilizes the experimental result for both wired and wireless platforms and (2) an experimental evaluation of the computational overhead of HMAC based on a kernel-level Linux implementation. An automotive application is used as an example, and the results show that it is feasible to implement a secure communication mechanism without interfering with the existing automotive controller execution times. The methods and results of the paper can be used for evaluating the performance impact of security mechanisms and, thus, for the design of secure wired and wireless TT networked control systems. PMID:27463718

Twenty-first century quantum mechanics Hilbert space to quantum computers mathematical methods and conceptual foundations

CERN Document Server

Fano, Guido

2017-01-01

This book is designed to make accessible to nonspecialists the still evolving concepts of quantum mechanics and the terminology in which these are expressed. The opening chapters summarize elementary concepts of twentieth century quantum mechanics and describe the mathematical methods employed in the field, with clear explanation of, for example, Hilbert space, complex variables, complex vector spaces and Dirac notation, and the Heisenberg uncertainty principle. After detailed discussion of the Schrödinger equation, subsequent chapters focus on isotropic vectors, used to construct spinors, and on conceptual problems associated with measurement, superposition, and decoherence in quantum systems. Here, due attention is paid to Bell’s inequality and the possible existence of hidden variables. Finally, progression toward quantum computation is examined in detail: if quantum computers can be made practicable, enormous enhancements in computing power, artificial intelligence, and secure communication will result...

Computational Mechanics for Heterogeneous Materials

Energy Technology Data Exchange (ETDEWEB)

Lechman, Jeremy B. [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Baczewski, Andrew David [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Bond, Stephen [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Erikson, William W. [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Lehoucq, Richard B. [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Mondy, Lisa Ann [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Noble, David R. [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Pierce, Flint [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Roberts, Christine [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); van Swol, Frank B. [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Yarrington, Cole [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)

2013-11-01

The subject of this work is the development of models for the numerical simulation of matter, momentum, and energy balance in heterogeneous materials. These are materials that consist of multiple phases or species or that are structured on some (perhaps many) scale(s). By computational mechanics we mean to refer generally to the standard type of modeling that is done at the level of macroscopic balance laws (mass, momentum, energy). We will refer to the flow or flux of these quantities in a generalized sense as transport. At issue here are the forms of the governing equations in these complex materials which are potentially strongly inhomogeneous below some correlation length scale and are yet homogeneous on larger length scales. The question then becomes one of how to model this behavior and what are the proper multi-scale equations to capture the transport mechanisms across scales. To address this we look to the area of generalized stochastic process that underlie the transport processes in homogeneous materials. The archetypal example being the relationship between a random walk or Brownian motion stochastic processes and the associated Fokker-Planck or diffusion equation. Here we are interested in how this classical setting changes when inhomogeneities or correlations in structure are introduced into the problem. Aspects of non-classical behavior need to be addressed, such as non-Fickian behavior of the mean-squared-displacement (MSD) and non-Gaussian behavior of the underlying probability distribution of jumps. We present an experimental technique and apparatus built to investigate some of these issues. We also discuss diffusive processes in inhomogeneous systems, and the role of the chemical potential in diffusion of hard spheres is considered. Also, the relevance to liquid metal solutions is considered. Finally we present an example of how inhomogeneities in material microstructure introduce fluctuations at the meso-scale for a thermal conduction problem

Mechanisms of Neurofeedback: A Computation-theoretic Approach.

Science.gov (United States)

Davelaar, Eddy J

2018-05-15

Neurofeedback training is a form of brain training in which information about a neural measure is fed back to the trainee who is instructed to increase or decrease the value of that particular measure. This paper focuses on electroencephalography (EEG) neurofeedback in which the neural measures of interest are the brain oscillations. To date, the neural mechanisms that underlie successful neurofeedback training are still unexplained. Such an understanding would benefit researchers, funding agencies, clinicians, regulatory bodies, and insurance firms. Based on recent empirical work, an emerging theory couched firmly within computational neuroscience is proposed that advocates a critical role of the striatum in modulating EEG frequencies. The theory is implemented as a computer simulation of peak alpha upregulation, but in principle any frequency band at one or more electrode sites could be addressed. The simulation successfully learns to increase its peak alpha frequency and demonstrates the influence of threshold setting - the threshold that determines whether positive or negative feedback is provided. Analyses of the model suggest that neurofeedback can be likened to a search process that uses importance sampling to estimate the posterior probability distribution over striatal representational space, with each representation being associated with a distribution of values of the target EEG band. The model provides an important proof of concept to address pertinent methodological questions about how to understand and improve EEG neurofeedback success. Copyright © 2017 IBRO. Published by Elsevier Ltd. All rights reserved.

Computational comparison of quantum-mechanical models for multistep direct reactions

International Nuclear Information System (INIS)

Koning, A.J.; Akkermans, J.M.

1993-01-01

We have carried out a computational comparison of all existing quantum-mechanical models for multistep direct (MSD) reactions. The various MSD models, including the so-called Feshbach-Kerman-Koonin, Tamura-Udagawa-Lenske and Nishioka-Yoshida-Weidenmueller models, have been implemented in a single computer system. All model calculations thus use the same set of parameters and the same numerical techniques; only one adjustable parameter is employed. The computational results have been compared with experimental energy spectra and angular distributions for several nuclear reactions, namely, 90 Zr(p,p') at 80 MeV, 209 Bi(p,p') at 62 MeV, and 93 Nb(n,n') at 25.7 MeV. In addition, the results have been compared with the Kalbach systematics and with semiclassical exciton model calculations. All quantum MSD models provide a good fit to the experimental data. In addition, they reproduce the systematics very well and are clearly better than semiclassical model calculations. We furthermore show that the calculated predictions do not differ very strongly between the various quantum MSD models, leading to the conclusion that the simplest MSD model (the Feshbach-Kerman-Koonin model) is adequate for the analysis of experimental data

Use of Nonequilibrium Work Methods to Compute Free Energy Differences Between Molecular Mechanical and Quantum Mechanical Representations of Molecular Systems.

Science.gov (United States)

Hudson, Phillip S; Woodcock, H Lee; Boresch, Stefan

2015-12-03

Carrying out free energy simulations (FES) using quantum mechanical (QM) Hamiltonians remains an attractive, albeit elusive goal. Renewed efforts in this area have focused on using "indirect" thermodynamic cycles to connect "low level" simulation results to "high level" free energies. The main obstacle to computing converged free energy results between molecular mechanical (MM) and QM (ΔA(MM→QM)), as recently demonstrated by us and others, is differences in the so-called "stiff" degrees of freedom (e.g., bond stretching) between the respective energy surfaces. Herein, we demonstrate that this problem can be efficiently circumvented using nonequilibrium work (NEW) techniques, i.e., Jarzynski's and Crooks' equations. Initial applications of computing ΔA(NEW)(MM→QM), for blocked amino acids alanine and serine as well as to generate butane's potentials of mean force via the indirect QM/MM FES method, showed marked improvement over traditional FES approaches.

Interactive Quantum Mechanics Quantum Experiments on the Computer

CERN Document Server

Brandt, S; Dahmen, H.D

2011-01-01

Extra Materials available on extras.springer.com INTERACTIVE QUANTUM MECHANICS allows students to perform their own quantum-physics experiments on their computer, in vivid 3D color graphics. Topics covered include: •        harmonic waves and wave packets, •        free particles as well as bound states and scattering in various potentials in one and three dimensions (both stationary and time dependent), •        two-particle systems, coupled harmonic oscillators, •        distinguishable and indistinguishable particles, •        coherent and squeezed states in time-dependent motion, •        quantized angular momentum, •        spin and magnetic resonance, •        hybridization. For the present edition the physics scope has been widened appreciably. Moreover, INTERQUANTA can now produce user-defined movies of quantum-mechanical situations. Movies can be viewed directly and also be saved to be shown later in any browser. Sections on spec...

Numerical computation of solar neutrino flux attenuated by the MSW mechanism

Science.gov (United States)

Kim, Jai Sam; Chae, Yoon Sang; Kim, Jung Dae

1999-07-01

We compute the survival probability of an electron neutrino in its flight through the solar core experiencing the Mikheyev-Smirnov-Wolfenstein effect with all three neutrino species considered. We adopted a hybrid method that uses an accurate approximation formula in the non-resonance region and numerical integration in the non-adiabatic resonance region. The key of our algorithm is to use the importance sampling method for sampling the neutrino creation energy and position and to find the optimum radii to start and stop numerical integration. We further developed a parallel algorithm for a message passing parallel computer. By using an idea of job token, we have developed a dynamical load balancing mechanism which is effective under any irregular load distributions

Cielo Computational Environment Usage Model With Mappings to ACE Requirements for the General Availability User Environment Capabilities Release Version 1.1

Energy Technology Data Exchange (ETDEWEB)

Vigil,Benny Manuel [Los Alamos National Laboratory; Ballance, Robert [SNL; Haskell, Karen [SNL

2012-08-09

Cielo is a massively parallel supercomputer funded by the DOE/NNSA Advanced Simulation and Computing (ASC) program, and operated by the Alliance for Computing at Extreme Scale (ACES), a partnership between Los Alamos National Laboratory (LANL) and Sandia National Laboratories (SNL). The primary Cielo compute platform is physically located at Los Alamos National Laboratory. This Cielo Computational Environment Usage Model documents the capabilities and the environment to be provided for the Q1 FY12 Level 2 Cielo Capability Computing (CCC) Platform Production Readiness Milestone. This document describes specific capabilities, tools, and procedures to support both local and remote users. The model is focused on the needs of the ASC user working in the secure computing environments at Lawrence Livermore National Laboratory (LLNL), Los Alamos National Laboratory, or Sandia National Laboratories, but also addresses the needs of users working in the unclassified environment. The Cielo Computational Environment Usage Model maps the provided capabilities to the tri-Lab ASC Computing Environment (ACE) Version 8.0 requirements. The ACE requirements reflect the high performance computing requirements for the Production Readiness Milestone user environment capabilities of the ASC community. A description of ACE requirements met, and those requirements that are not met, are included in each section of this document. The Cielo Computing Environment, along with the ACE mappings, has been issued and reviewed throughout the tri-Lab community.

Results of pressurized-slot measurements in the G-Tunnel underground facility

International Nuclear Information System (INIS)

Zimmerman, R.M.; Mann, K.L.; Dodds, D.J.

1989-01-01

A rock-mechanics field-testing program is underway at Sandia National Laboratories (SNL) as part of the YMP. SNL has the responsibility for assessing the repository design and performance as well as characterizing the geomechanical behavior of the rock. SNL has conducted field experiments in G-Tunnel in Rainier Mesa at the NTS, where tuffs similar to those at Yucca Mountain, the potential repository site, are found. Later experiments are planned as part of the YMP Exploratory Shaft investigations at Yucca Mountain. Major geomechanical factors in repository developments are determinations of the stress state and the deformability of the rock mass (described by the modulus of deformation). One feature of SNL's rock-mechanics program was the development of a testing program for cutting thin slots in a jointed welded tuff and utilizing flatjacks for pressurizing these thin-slots on a relatively, large scale. Objectives in the pressurized-slot testing in G-Tunnel have been to apply and possibly improve methods for (1) utilizing the flatjack cancellation (FC) method for measuring stresses normal to the slot and (2) measuring the modulus of deformation of the jointed rock surrounding the slot. This paper discusses the results of field measurements in and around a single slot and evaluates potential applications and limitations. 10 refs., 1 fig., 4 tabs

Towards mechanism-based simulation of impact damage using exascale computing

Science.gov (United States)

Shterenlikht, Anton; Margetts, Lee; McDonald, Samuel; Bourne, Neil K.

2017-01-01

Over the past 60 years, the finite element method has been very successful in modelling deformation in engineering structures. However the method requires the definition of constitutive models that represent the response of the material to applied loads. There are two issues. Firstly, the models are often difficult to define. Secondly, there is often no physical connection between the models and the mechanisms that accommodate deformation. In this paper, we present a potentially disruptive two-level strategy which couples the finite element method at the macroscale with cellular automata at the mesoscale. The cellular automata are used to simulate mechanisms, such as crack propagation. The stress-strain relationship emerges as a continuum mechanics scale interpretation of changes at the micro- and meso-scales. Iterative two-way updating between the cellular automata and finite elements drives the simulation forward as the material undergoes progressive damage at high strain rates. The strategy is particularly attractive on large-scale computing platforms as both methods scale well on tens of thousands of CPUs.

A three-dimensional computational model of collagen network mechanics.

Directory of Open Access Journals (Sweden)

Byoungkoo Lee

Full Text Available Extracellular matrix (ECM strongly influences cellular behaviors, including cell proliferation, adhesion, and particularly migration. In cancer, the rigidity of the stromal collagen environment is thought to control tumor aggressiveness, and collagen alignment has been linked to tumor cell invasion. While the mechanical properties of collagen at both the single fiber scale and the bulk gel scale are quite well studied, how the fiber network responds to local stress or deformation, both structurally and mechanically, is poorly understood. This intermediate scale knowledge is important to understanding cell-ECM interactions and is the focus of this study. We have developed a three-dimensional elastic collagen fiber network model (bead-and-spring model and studied fiber network behaviors for various biophysical conditions: collagen density, crosslinker strength, crosslinker density, and fiber orientation (random vs. prealigned. We found the best-fit crosslinker parameter values using shear simulation tests in a small strain region. Using this calibrated collagen model, we simulated both shear and tensile tests in a large linear strain region for different network geometry conditions. The results suggest that network geometry is a key determinant of the mechanical properties of the fiber network. We further demonstrated how the fiber network structure and mechanics evolves with a local formation, mimicking the effect of pulling by a pseudopod during cell migration. Our computational fiber network model is a step toward a full biomechanical model of cellular behaviors in various ECM conditions.

Upregulated TLR3 Promotes Neuropathic Pain by Regulating Autophagy in Rat With L5 Spinal Nerve Ligation Model.

Science.gov (United States)

Chen, Weijia; Lu, Zhijun

2017-02-01

Microglia, rapidly activated following peripheral nerve injury (PNI), accumulate within the spinal cord and adopt inflammation that contributes to development and maintenance of neuropathic pain. Microglia express functional Toll-like receptors (TLRs), which play pivotal roles in regulating inflammatory processes. However, little is known about the role of TLR3 in regulating neuropathic pain after PNI. Here TLR3 expression and autophagy activation was assayed in dorsal root ganglions and in microglia following PNI by using realtime PCR, western blot and immunohistochemistry. The role of TLR3/autophagy signaling in regulating tactile allodynia was evaluated by assaying paw mechanical withdrawal threshold and cold allodynia after intrathecal administration of Poly (I:C) and 3-methyladenine (3-MA). We found that L5 spinal nerve ligation (SNL) induces the expression of TLR3 in dorsal root ganglions and in primary rat microglia at the mRNA and protein level. Meanwhile, L5 SNL results in an increased activation of autophagy, which contributes to microglial activation and subsequent inflammatory response. Intrathecal administration of Poly (I:C), a TLR3 agonist, significantly increases the activation of microglial autophagy, whereas TLR3 knockdown markedly inhibits L5 SNL-induced microglial autophagy. Poly (I:C) treatment promotes the expression of proinflammatory mediators, whereas 3-MA (a specific inhibitor of autophagy) suppresses Poly (I:C)-induced secretion of proinflammatory cytokines. Autophagy inhibition further inhibits TLR3-mediated mechanical and cold hypersensitivity following SNL. These results suggest that inhibition of TLR3/autophagy signaling contributes to alleviate neurophathic pain triggered by SNL.

Plasticity in intact A delta- and C-fibers contributes to cold hypersensitivity in neuropathic rats.

Science.gov (United States)

Ji, G; Zhou, S; Kochukov, M Y; Westlund, K N; Carlton, S M

2007-11-30

Cold hypersensitivity is a common sensory abnormality accompanying peripheral neuropathies and is difficult to treat. Progress has been made in understanding peripheral mechanisms underlying neuropathic pain but little is known concerning peripheral mechanisms of cold hypersensitivity. The aim of this study was to analyze the contribution of uninjured primary afferents to the cold hypersensitivity that develops in neuropathic rats. Rats with a lumbar 5 (L5) and L6 spinal nerve ligation (SNL, Chung model) but not sham, developed mechanical allodynia, evidenced by decreased paw withdrawal thresholds and increased magnitude of response to von Frey stimulation. Cold hypersensitivity also developed in SNL but not sham rats, evidenced by enhanced nociceptive behaviors induced by placement on a cold plate (6 degrees C) or application of icilin (a transient receptor potential M8 (TRPM8)/transient receptor potential A1 (TRPA1) receptor agonist) to nerve-injured hind paws. Single fiber recordings demonstrated that the mean conduction velocities of intact L4 cutaneous A delta- and C-fibers were not different between naive and SNL rats; however, mechanical thresholds of the A delta- but not the C-fibers were significantly decreased in SNL compared with naive. There was a higher prevalence of C-mechanoheat-cold (CMHC) fibers in SNL compared with naive, but the overall percentage of cold-sensitive C-fibers was not significantly increased compared with naive. This was in contrast to the numerous changes in A delta-fibers: the percentage of L4 cold sensitive A delta-, but not C-fibers, was significantly increased, the percentage of L4 icilin-sensitive A delta-, but not C-fibers, was significantly increased, the icilin-induced activity of L4 A delta-, but not C-fibers, was significantly increased. Icilin-induced activity was blocked by the TRPA1 antagonist Ruthenium Red. The results indicate plasticity in both A delta- and C-uninjured fibers, but A delta fibers appear to provide a

Computational organic chemistry: bridging theory and experiment in establishing the mechanisms of chemical reactions.

Science.gov (United States)

Cheng, Gui-Juan; Zhang, Xinhao; Chung, Lung Wa; Xu, Liping; Wu, Yun-Dong

2015-02-11

Understanding the mechanisms of chemical reactions, especially catalysis, has been an important and active area of computational organic chemistry, and close collaborations between experimentalists and theorists represent a growing trend. This Perspective provides examples of such productive collaborations. The understanding of various reaction mechanisms and the insight gained from these studies are emphasized. The applications of various experimental techniques in elucidation of reaction details as well as the development of various computational techniques to meet the demand of emerging synthetic methods, e.g., C-H activation, organocatalysis, and single electron transfer, are presented along with some conventional developments of mechanistic aspects. Examples of applications are selected to demonstrate the advantages and limitations of these techniques. Some challenges in the mechanistic studies and predictions of reactions are also analyzed.

Computational thermofracture mechanics and life prediction

International Nuclear Information System (INIS)

Hsu Tairan

1992-01-01

This paper will present computational techniques used for the prediction of the thermofracture behaviour of structures subject to either monotonic or cyclic combined thermal and mechanical loadings. Two specific areas will be dealt with in the paper. (1) The Time-invariant thermofracture of leaking pipelines with non-uniform temperature fields; in this case, the induced non-uniform temperature fields near leaking cracks have shown to be significant. The severity of these temperature fields on the thermofracture behaviour of the pipeline will be demonstrated by a numerical example. (2) Thermomechanical creep fracture of structures: Recent developments, including those of the author's own work, on cyclic creep-fracture using damage theory will be presented. Long 'hold' and 'dwell' times, which occur in the actual operations of nuclear power plant components have been shown to have a significant effect on the overall creep-fracture behaviour of the material. Constitutive laws, which include most of these effects, have been incorporated into the existing TEPSAC code for the prediction of crack growth in solids under cyclic creep loadings. The effectiveness of using the damage parameters as fracture criteria, and the presence of plastic deformation in the overall results will be assessed. (orig.)

Enhancements to the eXtensible Data Model and Format (XDMF)

National Research Council Canada - National Science Library

Clarke, Jerry A; Mark, Eric R

2007-01-01

...) and the SIERRA computational framework from Sandia National Laboratory (SNL). A major effort is now under way to enhance xDMF to more directly support concepts like Adaptive Mesh Refinement (AMR...

Analysis of sponge zones for computational fluid mechanics

International Nuclear Information System (INIS)

Bodony, Daniel J.

2006-01-01

The use of sponge regions, or sponge zones, which add the forcing term -σ(q - q ref ) to the right-hand-side of the governing equations in computational fluid mechanics as an ad hoc boundary treatment is widespread. They are used to absorb and minimize reflections from computational boundaries and as forcing sponges to introduce prescribed disturbances into a calculation. A less common usage is as a means of extending a calculation from a smaller domain into a larger one, such as in computing the far-field sound generated in a localized region. By analogy to the penalty method of finite elements, the method is placed on a solid foundation, complete with estimates of convergence. The analysis generalizes the work of Israeli and Orszag [M. Israeli, S.A. Orszag, Approximation of radiation boundary conditions, J. Comp. Phys. 41 (1981) 115-135] and confirms their findings when applied as a special case to one-dimensional wave propagation in an absorbing sponge. It is found that the rate of convergence of the actual solution to the target solution, with an appropriate norm, is inversely proportional to the sponge strength. A detailed analysis for acoustic wave propagation in one-dimension verifies the convergence rate given by the general theory. The exponential point-wise convergence derived by Israeli and Orszag in the high-frequency limit is recovered and found to hold over all frequencies. A weakly nonlinear analysis of the method when applied to Burgers' equation shows similar convergence properties. Three numerical examples are given to confirm the analysis: the acoustic extension of a two-dimensional time-harmonic point source, the acoustic extension of a three-dimensional initial-value problem of a sound pulse, and the introduction of unstable eigenmodes from linear stability theory into a two-dimensional shear layer

Neural and Computational Mechanisms of Action Processing: Interaction between Visual and Motor Representations.

Science.gov (United States)

Giese, Martin A; Rizzolatti, Giacomo

2015-10-07

Action recognition has received enormous interest in the field of neuroscience over the last two decades. In spite of this interest, the knowledge in terms of fundamental neural mechanisms that provide constraints for underlying computations remains rather limited. This fact stands in contrast with a wide variety of speculative theories about how action recognition might work. This review focuses on new fundamental electrophysiological results in monkeys, which provide constraints for the detailed underlying computations. In addition, we review models for action recognition and processing that have concrete mathematical implementations, as opposed to conceptual models. We think that only such implemented models can be meaningfully linked quantitatively to physiological data and have a potential to narrow down the many possible computational explanations for action recognition. In addition, only concrete implementations allow judging whether postulated computational concepts have a feasible implementation in terms of realistic neural circuits. Copyright © 2015 Elsevier Inc. All rights reserved.

The community project COSA: comparison of geo-mechanical computer codes for salt

International Nuclear Information System (INIS)

Lowe, M.J.S.; Knowles, N.C.

1986-01-01

Two benchmark problems related to waste disposal in salt were tackled by ten European organisations using twelve rock-mechanics finite element computer codes. The two problems represented increasing complexity with first a hypothetical verification and then the simulation of a laboratory experiment. The project allowed to ascertain a shapshot of the current combined expertise of European organisations in the modelling of salt behaviour

Computation of the mechanical behaviour of nuclear reactor components

International Nuclear Information System (INIS)

Brosi, S.; Niffenegger, M.; Roesel, R.; Reichlin, K.; Duijvestijn, A.

1994-01-01

A possible limiting factor of the service life of a reactor is the mechanical load carrying margin, i.e. the excess of the load carrying capacity over the actual loading, of the central, heavy section components. This margin decreases during service but, for safety reasons, may not fall below a critical value. Therefore, it is essential to check and to control continuously the factors which cause the decrease. The reasons for the decrease are shown at length and in detail in an example relating to the test which almost achieved failure of a pipe emanating from a reactor pressure vessel, weakened by an artificial crack and undergoing a water-hammer loading. The latter was caused by a sudden valve closure supposed to follow upon a break far downstream. The computational and experimental difficulties associated with the simultaneous occurrence of an extreme weakening and an extreme loading in an already rather complicated geometry are explained. It is concluded that available computational tools and present know-how are sufficient to simulate the behaviour under such conditions as would prevail in normal service, and even to analyse departures from them, as long as not all difficulties arise simultaneously. (author) figs., tabs., refs

Determining the reaction in kinematic pairs of certain mechanisms using a digital computer

Energy Technology Data Exchange (ETDEWEB)

Chifchieva, V N

1980-01-01

In Dorr classifiers, walking excavators, conveyors, sieves and other mechanisms, one finds a triad with a sliding pair. An algorithm is proposed for determining reactions in the kinematic connections of a triad with one, two or three sliding pairs. The algorithm is suitable for use in digital computers. It is based on the transfer function method, and has several advantages over the technnique of determining reactions in kinematic pairs of V. Zinovyev. A concrete example is given of calculating reactions in the connections of a crank and lever mechanism of a walking excavator.

Non-Mechanism in Quantum Oracle Computing

OpenAIRE

Castagnoli, Giuseppe

1999-01-01

A typical oracle problem is finding which software program is installed on a computer, by running the computer and testing its input-output behaviour. The program is randomly chosen from a set of programs known to the problem solver. As well known, some oracle problems are solved more efficiently by using quantum algorithms; this naturally implies changing the computer to quantum, while the choice of the software program remains sharp. In order to highlight the non-mechanistic origin of this ...

Regulatory requirements to the thermal-hydraulic and thermal-mechanical computer codes

International Nuclear Information System (INIS)

Vitkova, M.; Kalchev, B.; Stefanova, S.

2006-01-01

The paper presents an overview of the regulatory requirements to the thermal-hydraulic and thermal-mechanical computer codes, which are used for safety assessment of the fuel design and the fuel utilization. Some requirements to the model development, verification and validation of the codes and analysis of code uncertainties are also define. Questions concerning Quality Assurance during development and implementation of the codes as well as preparation of a detailed verification and validation plan are briefly discussed

Advances in Computational High-Resolution Mechanical Spectroscopy HRMS Part I: Logarithmic Decrement

International Nuclear Information System (INIS)

Majewski, M; Magalas, L B; Piłat, A

2012-01-01

The comparison between different methods used to compute the logarithmic decrement in high-resolution mechanical spectroscopy (HRMS) is analyzed. The performance of parametric OMI method (Optimization in Multiple Intervals) and interpolated discrete Fourier transform (IpDFT) methods are investigated as a function of the sampling frequency used to digitize free decaying oscillations in low-frequency resonant mechanical spectrometers. It is clearly demonstrated that a new Yoshida-Magalas (YM) method is the most powerful IpDFT-based method which outperforms the standard Yoshida (Y) method and other DFT-based methods. Four IpDFT methods and the OMI method are carefully analyzed as a function of the sampling frequency. The results presented in this work clearly show that the relative error in the estimation of the logarithmic decrement depends both on the length of free decaying signal and on the sampling frequency. The effect of the sampling frequency was not yet reported in the literature. The performance of different methods used in the computations of the logarithmic decrement can be listed in the following order: (1) the OMI, (2) the Yoshida-Magalas YM, (3) the Yoshida-Magalas YMC, and finally (4) the Yoshida Y.

Methods for Efficiently and Accurately Computing Quantum Mechanical Free Energies for Enzyme Catalysis.

Science.gov (United States)

Kearns, F L; Hudson, P S; Boresch, S; Woodcock, H L

2016-01-01

Enzyme activity is inherently linked to free energies of transition states, ligand binding, protonation/deprotonation, etc.; these free energies, and thus enzyme function, can be affected by residue mutations, allosterically induced conformational changes, and much more. Therefore, being able to predict free energies associated with enzymatic processes is critical to understanding and predicting their function. Free energy simulation (FES) has historically been a computational challenge as it requires both the accurate description of inter- and intramolecular interactions and adequate sampling of all relevant conformational degrees of freedom. The hybrid quantum mechanical molecular mechanical (QM/MM) framework is the current tool of choice when accurate computations of macromolecular systems are essential. Unfortunately, robust and efficient approaches that employ the high levels of computational theory needed to accurately describe many reactive processes (ie, ab initio, DFT), while also including explicit solvation effects and accounting for extensive conformational sampling are essentially nonexistent. In this chapter, we will give a brief overview of two recently developed methods that mitigate several major challenges associated with QM/MM FES: the QM non-Boltzmann Bennett's acceptance ratio method and the QM nonequilibrium work method. We will also describe usage of these methods to calculate free energies associated with (1) relative properties and (2) along reaction paths, using simple test cases with relevance to enzymes examples. © 2016 Elsevier Inc. All rights reserved.

Computational method for thermoviscoelasticity with application to rock mechanics. [Ph. D. Thesis

Energy Technology Data Exchange (ETDEWEB)

Lee, S.C.

1984-01-01

Large-scale numerical computations associated with rock mechanics problems have required efficient and economical models for predicting temperature, stress, failure, and deformed structural configuration under various loading conditions. To meet this requirement, the complex dependence of the properties of geological materials on the time and temperature is modified to yield a reduced time scale as a function of time and temperature under the thermorheologically simple material (TSM) postulate. The thermorheologically linear concept is adopted in the finite element formulation by uncoupling thermal and mechanical responses. The thermal responses, based on transient heat conduction or convective-diffusion, are formulated by using the two-point recurrence scheme and the upwinding scheme, respectively. An incremental solution procedure with the implicit time stepping scheme is proposed for the solution of the thermoviscoelastic response. The proposed thermoviscoelastic solution algorithm is based on the uniaxial creep experimental data and the corresponding temperature shift functions, and is intended to minimize computational efforts by allowing large time step size with stable solutions. A thermoelastic fracture formulation is also presented by introducing the degenerate quadratic isoparametric singular element for the thermally-induced line crack problems. The stress intensity factors are computed by use of the displacement method. Efficiency of the presented formulation and solution algorithm is initially demonstrated by comparison with other available solutions for a variety of problems. Subsequent field applications are made to simulate the post-burn and post-repose phases of an underground coal conversion (UCC) experiment and in-situ nuclear waste disposal management problems. 137 references, 48 figures, 6 tables.

Ranking of septic tank and drainfield sites using travel time to the groundwater table

International Nuclear Information System (INIS)

Langkopf, B.S.; McCord, J.T.

1994-09-01

The Environmental Restoration Program at Sandia National Laboratories, New Mexico (SNL/NM) is tasked with performing assessments and cleanup of waste sites that belong to SNL. SNL's waste sites are divided into several activities. Septic Tanks and Drainfields (STD) is an activity that includes 23 different sites at SNL/NM. All these sites may have released hazardous wastes into the soil from drains or sewers of buildings. The STD sites must be assessed and, if necessary, remediated according to the Resource Conservation and Recovery Act (RCRA) Corrective Action process. A modeling study has been completed to help prioritize the sites for future field investigation based on the risk that each site may pose to human health and the environment. Two of the influences on the risk to human health and environment are addressed in this study--the fluid disposal volume and groundwater depth. These two parameters, as well as several others, were used as input into a computer model to calculate groundwater travel time to the water table. The computer model was based on Darcy's Law and a simple mass balance. To account for uncertainty in the input parameters, a Monte Carlo approach was used to determine the travel times; 1,000 realizations were completed to determine the travel time for each site. The range assigned to each of the input parameters was sampled according to an assigned statistical distribution using the Latin Hypercube Method to arrive at input for the calculations. The groundwater travel times resulting from these calculations were used to rank the sites for future field investigation

Effect of the spider toxin Tx3-3 on spinal processing of sensory information in naive and neuropathic rats: an in vivo electrophysiological study.

Science.gov (United States)

Dalmolin, Gerusa D; Bannister, Kirsty; Gonçalves, Leonor; Sikandar, Shafaq; Patel, Ryan; Cordeiro, Marta do Nascimento; Gomez, Marcus Vinícius; Ferreira, Juliano; Dickenson, Anthony H

2017-07-01

Drugs that counteract nociceptive transmission in the spinal dorsal horn preferentially after nerve injury are being pursued as possible neuropathic pain treatments. In a previous behavioural study, the peptide toxin Tx3-3, which blocks P/Q- and R-type voltage-gated calcium channels, was effective in neuropathic pain models. In the present study, we aimed to investigate the effect of Tx3-3 on dorsal horn neuronal responses in rats under physiological conditions and neuropathic pain condition induced by spinal nerve ligation (SNL). In vivo electrophysiological recordings of dorsal horn neuronal response to electrical and natural (mechanical and thermal) stimuli were made in rats under normal physiological state (naive rats) or after the SNL model of neuropathic pain. Tx3-3 (0.3-100 pmol/site) exhibited greater inhibitory effect on electrical-evoked neuronal response of SNL rats than naive rats, inhibiting nociceptive C-fibre and Aδ-fibre responses only in SNL rats. The wind-up of neurones, a measurement of spinal cord hyperexcitability, was also more susceptible to a dose-related inhibition by Tx3-3 after nerve injury. Moreover, Tx3-3 exhibited higher potency to inhibit mechanical- and thermal-evoked neuronal response in conditions of neuropathy. Tx3-3 mediated differential inhibitory effect under physiological and neuropathic conditions, exhibiting greater potency in conditions of neuropathic pain.

A visualization environment for supercomputing-based applications in computational mechanics

Energy Technology Data Exchange (ETDEWEB)

Pavlakos, C.J.; Schoof, L.A.; Mareda, J.F.

1993-06-01

In this paper, we characterize a visualization environment that has been designed and prototyped for a large community of scientists and engineers, with an emphasis in superconducting-based computational mechanics. The proposed environment makes use of a visualization server concept to provide effective, interactive visualization to the user`s desktop. Benefits of using the visualization server approach are discussed. Some thoughts regarding desirable features for visualization server hardware architectures are also addressed. A brief discussion of the software environment is included. The paper concludes by summarizing certain observations which we have made regarding the implementation of such visualization environments.

Computationally efficient thermal-mechanical modelling of selective laser melting

Science.gov (United States)

Yang, Yabin; Ayas, Can

2017-10-01

The Selective laser melting (SLM) is a powder based additive manufacturing (AM) method to produce high density metal parts with complex topology. However, part distortions and accompanying residual stresses deteriorates the mechanical reliability of SLM products. Modelling of the SLM process is anticipated to be instrumental for understanding and predicting the development of residual stress field during the build process. However, SLM process modelling requires determination of the heat transients within the part being built which is coupled to a mechanical boundary value problem to calculate displacement and residual stress fields. Thermal models associated with SLM are typically complex and computationally demanding. In this paper, we present a simple semi-analytical thermal-mechanical model, developed for SLM that represents the effect of laser scanning vectors with line heat sources. The temperature field within the part being build is attained by superposition of temperature field associated with line heat sources in a semi-infinite medium and a complimentary temperature field which accounts for the actual boundary conditions. An analytical solution of a line heat source in a semi-infinite medium is first described followed by the numerical procedure used for finding the complimentary temperature field. This analytical description of the line heat sources is able to capture the steep temperature gradients in the vicinity of the laser spot which is typically tens of micrometers. In turn, semi-analytical thermal model allows for having a relatively coarse discretisation of the complimentary temperature field. The temperature history determined is used to calculate the thermal strain induced on the SLM part. Finally, a mechanical model governed by elastic-plastic constitutive rule having isotropic hardening is used to predict the residual stresses.

Computational fluid mechanics

Science.gov (United States)

Hassan, H. A.

1993-01-01

Two papers are included in this progress report. In the first, the compressible Navier-Stokes equations have been used to compute leading edge receptivity of boundary layers over parabolic cylinders. Natural receptivity at the leading edge was simulated and Tollmien-Schlichting waves were observed to develop in response to an acoustic disturbance, applied through the farfield boundary conditions. To facilitate comparison with previous work, all computations were carried out at a free stream Mach number of 0.3. The spatial and temporal behavior of the flowfields are calculated through the use of finite volume algorithms and Runge-Kutta integration. The results are dominated by strong decay of the Tollmien-Schlichting wave due to the presence of the mean flow favorable pressure gradient. The effects of numerical dissipation, forcing frequency, and nose radius are studied. The Strouhal number is shown to have the greatest effect on the unsteady results. In the second paper, a transition model for low-speed flows, previously developed by Young et al., which incorporates first-mode (Tollmien-Schlichting) disturbance information from linear stability theory has been extended to high-speed flow by incorporating the effects of second mode disturbances. The transition model is incorporated into a Reynolds-averaged Navier-Stokes solver with a one-equation turbulence model. Results using a variable turbulent Prandtl number approach demonstrate that the current model accurately reproduces available experimental data for first and second-mode dominated transitional flows. The performance of the present model shows significant improvement over previous transition modeling attempts.

Multiple sites and actions of gabapentin-induced relief of ongoing experimental neuropathic pain.

Science.gov (United States)

Bannister, Kirsty; Qu, Chaoling; Navratilova, Edita; Oyarzo, Janice; Xie, Jennifer Yanhua; King, Tamara; Dickenson, Anthony H; Porreca, Frank

2017-12-01

Gabapentin (GBP) is a first-line therapy for neuropathic pain, but its mechanisms and sites of action remain uncertain. We investigated GBP-induced modulation of neuropathic pain following spinal nerve ligation (SNL) in rats. Intravenous or intrathecal GBP reversed evoked mechanical hypersensitivity and produced conditioned place preference (CPP) and dopamine (DA) release in the nucleus accumbens (NAc) selectively in SNL rats. Spinal GBP also significantly inhibited dorsal horn wide-dynamic-range neuronal responses to a range of evoked stimuli in SNL rats. By contrast, GBP microinjected bilaterally into the rostral anterior cingulate cortex (rACC), produced CPP, and elicited NAc DA release selectively in SNL rats but did not reverse tactile allodynia and had marginal effects on wide-dynamic-range neuronal activity. Moreover, blockade of endogenous opioid signaling in the rACC prevented intravenous GBP-induced CPP and NAc DA release but failed to block its inhibition of tactile allodynia. Gabapentin, therefore, can potentially act to produce its pain relieving effects by (a) inhibition of injury-induced spinal neuronal excitability, evoked hypersensitivity, and ongoing pain and (b) selective supraspinal modulation of affective qualities of pain, without alteration of reflexive behaviors. Consistent with previous findings of pain relief from nonopioid analgesics, GBP requires engagement of rACC endogenous opioid circuits and downstream activation of mesolimbic reward circuits reflected in learned pain-motivated behaviors. These findings support the partial separation of sensory and affective dimensions of pain in this experimental model and suggest that modulation of affective-motivational qualities of pain may be the preferential mechanism of GBP's analgesic effects in patients.

Math modeling and computer mechanization for real time simulation of rotary-wing aircraft

Science.gov (United States)

Howe, R. M.

1979-01-01

Mathematical modeling and computer mechanization for real time simulation of rotary wing aircraft is discussed. Error analysis in the digital simulation of dynamic systems, such as rotary wing aircraft is described. The method for digital simulation of nonlinearities with discontinuities, such as exist in typical flight control systems and rotor blade hinges, is discussed.

Enriching Elementary Quantum Mechanics with the Computer: Self-Consistent Field Problems in One Dimension

Science.gov (United States)

Bolemon, Jay S.; Etzold, David J.

1974-01-01

Discusses the use of a small computer to solve self-consistent field problems of one-dimensional systems of two or more interacting particles in an elementary quantum mechanics course. Indicates that the calculation can serve as a useful introduction to the iterative technique. (CC)

Computational models reveal a passive mechanism for cell migration in the crypt.

Directory of Open Access Journals (Sweden)

Sara-Jane Dunn

Full Text Available Cell migration in the intestinal crypt is essential for the regular renewal of the epithelium, and the continued upward movement of cells is a key characteristic of healthy crypt dynamics. However, the driving force behind this migration is unknown. Possibilities include mitotic pressure, active movement driven by motility cues, or negative pressure arising from cell loss at the crypt collar. It is possible that a combination of factors together coordinate migration. Here, three different computational models are used to provide insight into the mechanisms that underpin cell movement in the crypt, by examining the consequence of eliminating cell division on cell movement. Computational simulations agree with existing experimental results, confirming that migration can continue in the absence of mitosis. Importantly, however, simulations allow us to infer mechanisms that are sufficient to generate cell movement, which is not possible through experimental observation alone. The results produced by the three models agree and suggest that cell loss due to apoptosis and extrusion at the crypt collar relieves cell compression below, allowing cells to expand and move upwards. This finding suggests that future experiments should focus on the role of apoptosis and cell extrusion in controlling cell migration in the crypt.

Characterization of cell mechanical properties by computational modeling of parallel plate compression.

Science.gov (United States)

McGarry, J P

2009-11-01

A substantial body of work has been reported in which the mechanical properties of adherent cells were characterized using compression testing in tandem with computational modeling. However, a number of important issues remain to be addressed. In the current study, using computational analyses, the effect of cell compressibility on the force required to deform spread cells is investigated and the possibility that stiffening of the cell cytoplasm occurs during spreading is examined based on published experimental compression test data. The effect of viscoelasticity on cell compression is considered and difficulties in performing a complete characterization of the viscoelastic properties of a cell nucleus and cytoplasm by this method are highlighted. Finally, a non-linear force-deformation response is simulated using differing linear viscoelastic properties for the cell nucleus and the cell cytoplasm.

Computational mechanics research and support for aerodynamics and hydraulics at TFHRC. Quarterly report January through March 2011. Year 1 Quarter 2 progress report.

Energy Technology Data Exchange (ETDEWEB)

Lottes, S. A.; Kulak, R. F.; Bojanowski, C. (Energy Systems)

2011-05-19

This project was established with a new interagency agreement between the Department of Energy and the Department of Transportation to provide collaborative research, development, and benchmarking of advanced three-dimensional computational mechanics analysis methods to the aerodynamics and hydraulics laboratories at the Turner-Fairbank Highway Research Center for a period of five years, beginning in October 2010. The analysis methods employ well-benchmarked and supported commercial computational mechanics software. Computational mechanics encompasses the areas of Computational Fluid Dynamics (CFD), Computational Wind Engineering (CWE), Computational Structural Mechanics (CSM), and Computational Multiphysics Mechanics (CMM) applied in Fluid-Structure Interaction (FSI) problems. The major areas of focus of the project are wind and water loads on bridges - superstructure, deck, cables, and substructure (including soil), primarily during storms and flood events - and the risks that these loads pose to structural failure. For flood events at bridges, another major focus of the work is assessment of the risk to bridges caused by scour of stream and riverbed material away from the foundations of a bridge. Other areas of current research include modeling of flow through culverts to assess them for fish passage, modeling of the salt spray transport into bridge girders to address suitability of using weathering steel in bridges, vehicle stability under high wind loading, and the use of electromagnetic shock absorbers to improve vehicle stability under high wind conditions. This quarterly report documents technical progress on the project tasks for the period of January through March 2011.

Model based, sensor-directed remediation of underground storage tanks

International Nuclear Information System (INIS)

Harrigan, R.W.; Thunborg, S.

1990-01-01

Sensor-rich, intelligent robots that function with respect to models of their environment have significant potential to reduce the time and cost for the cleanup of hazardous waste while increasing operator safety. Sandia National Laboratories (SNL) is performing technology development and experimental investigations into the application of intelligent robot control technology to the problem of cleaning up waste stored in underground tanks. The tasks addressed in the SNL experiments are in situ physical characterizations of underground storage tanks (USTs) as well as the contained waste and the removal of the waste from the tank both for laboratory analysis and as part of the tank cleanup process. Both fully automatic and manual robot control technologies are being developed and demonstrated. The SNL-developed concept of human-assisted computer control will be employed whenever manual control of the robot is required. The UST Robot Technology Development Laboratory (URTDL) consists of a commercial gantry robot modified to allow hybrid force/position control

Combination of Tramadol with Minocycline Exerted Synergistic Effects on a Rat Model of Nerve Injury-Induced Neuropathic Pain

Directory of Open Access Journals (Sweden)

Xiao-Peng Mei

2012-09-01

Full Text Available Neuropathic pain is a refractory clinical problem. Certain drugs, such as tramadol, proved useful for the treatment of neuropathic pain by inhibiting the activity of nociceptive neurons. Moreover, studies indicated that suppression or modulation of glial activation could prevent or reverse neuropathic pain, for example with the microglia inhibitor minocycline. However, few present clinical therapeutics focused on both neuronal and glial participation when treating neuropathic pain. Therefore, the present study hypothesized that combination of tramadol with minocycline as neuronal and glial activation inhibitor may exert some synergistic effects on spinal nerve ligation (SNL-induced neuropathic pain. Intrathecal tramadol or minocycline relieved SNL-induced mechanical allodynia in a dose-dependent manner. SNL-induced spinal dorsal horn Fos or OX42 expression was downregulated by intrathecal tramadol or minocycline. Combination of tramadol with minocycline exerted powerful and synergistic effects on SNL-induced neuropathic pain also in a dose-dependent manner. Moreover, the drug combination enhanced the suppression effects on SNL-induced spinal dorsal horn Fos and OX42 expression, compared to either drug administered alone. These results indicated that combination of tramadol with minocycline could exert synergistic effects on peripheral nerve injury-induced neuropathic pain; thus, a new strategy for treating neuropathic pain by breaking the interaction between neurons and glia bilaterally was also proposed.

Seventh Medical Image Computing and Computer Assisted Intervention Conference (MICCAI 2012)

CERN Document Server

Miller, Karol; Nielsen, Poul; Computational Biomechanics for Medicine : Models, Algorithms and Implementation

2013-01-01

One of the greatest challenges for mechanical engineers is to extend the success of computational mechanics to fields outside traditional engineering, in particular to biology, biomedical sciences, and medicine. This book is an opportunity for computational biomechanics specialists to present and exchange opinions on the opportunities of applying their techniques to computer-integrated medicine. Computational Biomechanics for Medicine: Models, Algorithms and Implementation collects the papers from the Seventh Computational Biomechanics for Medicine Workshop held in Nice in conjunction with the Medical Image Computing and Computer Assisted Intervention conference. The topics covered include: medical image analysis, image-guided surgery, surgical simulation, surgical intervention planning, disease prognosis and diagnostics, injury mechanism analysis, implant and prostheses design, and medical robotics.

Current research activities: Applied and numerical mathematics, fluid mechanics, experiments in transition and turbulence and aerodynamics, and computer science

Science.gov (United States)

1992-01-01

Research conducted at the Institute for Computer Applications in Science and Engineering in applied mathematics, numerical analysis, fluid mechanics including fluid dynamics, acoustics, and combustion, aerodynamics, and computer science during the period 1 Apr. 1992 - 30 Sep. 1992 is summarized.

A semi-local quasi-harmonic model to compute the thermodynamic and mechanical properties of silicon nanostructures

International Nuclear Information System (INIS)

Zhao, H; Aluru, N R

2007-01-01

This paper presents a semi-local quasi-harmonic model with local phonon density of states (LPDOS) to compute the thermodynamic and mechanical properties of silicon nanostructures at finite temperature. In contrast to an earlier approach (Tang and Aluru 2006 Phys. Rev. B 74 235441), where a quasi-harmonic model with LPDOS computed by a Green's function technique (QHMG) was developed considering many layers of atoms, the semi-local approach considers only two layers of atoms to compute the LPDOS. We show that the semi-local approach combines the accuracy of the QHMG approach and the computational efficiency of the local quasi-harmonic model. We present results for several silicon nanostructures to address the accuracy and efficiency of the semi-local approach

Anticancer Effects of Sinulariolide-Conjugated Hyaluronan Nanoparticles on Lung Adenocarcinoma Cells

Directory of Open Access Journals (Sweden)

Kuan Yin Hsiao

2016-03-01

Full Text Available Lung cancer is one of the most clinically challenging malignant diseases worldwide. Sinulariolide (SNL, extracted from the farmed coral species Sinularia flexibilis, has been used for suppressing malignant cells. For developing anticancer therapeutic agents, we aimed to find an alternative for non-small cell lung cancer treatment by using SNL as the target drug. We investigated the SNL bioactivity on A549 lung cancer cells by conjugating SNL with hyaluronan nanoparticles to form HA/SNL aggregates by using a high-voltage electrostatic field system. SNL was toxic on A549 cells with an IC50 of 75 µg/mL. The anticancer effects of HA/SNL aggregates were assessed through cell viability assay, apoptosis assays, cell cycle analyses, and western blotting. The size of HA/SNL aggregates was approximately 33–77 nm in diameter with a thin continuous layer after aggregating numerous HA nanoparticles. Flow cytometric analysis revealed that the HA/SNL aggregate-induced apoptosis was more effective at a lower SNL dose of 25 µg/mL than pure SNL. Western blotting indicated that caspases-3, -8, and -9 and Bcl-xL and Bax played crucial roles in the apoptotic signal transduction pathway. In summary, HA/SNL aggregates exerted stronger anticancer effects on A549 cells than did pure SNL via mitochondria-related pathways.

Computational model of miniature pulsating heat pipes

Energy Technology Data Exchange (ETDEWEB)

Martinez, Mario J. [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Givler, Richard C. [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)

2013-01-01

The modeling work described herein represents Sandia National Laboratories (SNL) portion of a collaborative three-year project with Northrop Grumman Electronic Systems (NGES) and the University of Missouri to develop an advanced, thermal ground-plane (TGP), which is a device, of planar configuration, that delivers heat from a source to an ambient environment with high efficiency. Work at all three institutions was funded by DARPA/MTO; Sandia was funded under DARPA/MTO project number 015070924. This is the final report on this project for SNL. This report presents a numerical model of a pulsating heat pipe, a device employing a two phase (liquid and its vapor) working fluid confined in a closed loop channel etched/milled into a serpentine configuration in a solid metal plate. The device delivers heat from an evaporator (hot zone) to a condenser (cold zone). This new model includes key physical processes important to the operation of flat plate pulsating heat pipes (e.g. dynamic bubble nucleation, evaporation and condensation), together with conjugate heat transfer with the solid portion of the device. The model qualitatively and quantitatively predicts performance characteristics and metrics, which was demonstrated by favorable comparisons with experimental results on similar configurations. Application of the model also corroborated many previous performance observations with respect to key parameters such as heat load, fill ratio and orientation.

COMETHE III J a computer code for predicting mechanical and thermal behaviour of a fuel pin

International Nuclear Information System (INIS)

Verbeek, P.; Hoppe, N.

1976-01-01

The design of fuel pins for power reactors requires a realistic evaluation of their thermal and mechanical performances throughout their irradiation life. This evaluation involves the knowledge of a number of parameters, very intricate and interconnected, for example, the temperature, the restructuring and the swelling rates of the fuel pellets, the dimensions, the stresses and the strains in the clad, the composition and the properties of gases, the inner gas pressure etc. This complex problem can only be properly handled by a computer programme which analyses the fuel pin thermal and mechanical behaviour at successive steps of its irradiation life. This report presents an overall description of the COMETHE III-J computer programme, designed to calculate the integral performance of oxide fuel pins with cylindrical metallic cladding irradiated in thermal or fast flux. (author)

Development of a body motion interactive system with a weight voting mechanism and computer vision technology

Science.gov (United States)

Lin, Chern-Sheng; Chen, Chia-Tse; Shei, Hung-Jung; Lay, Yun-Long; Chiu, Chuang-Chien

2012-09-01

This study develops a body motion interactive system with computer vision technology. This application combines interactive games, art performing, and exercise training system. Multiple image processing and computer vision technologies are used in this study. The system can calculate the characteristics of an object color, and then perform color segmentation. When there is a wrong action judgment, the system will avoid the error with a weight voting mechanism, which can set the condition score and weight value for the action judgment, and choose the best action judgment from the weight voting mechanism. Finally, this study estimated the reliability of the system in order to make improvements. The results showed that, this method has good effect on accuracy and stability during operations of the human-machine interface of the sports training system.

Computational biomechanics for medicine imaging, modeling and computing

CERN Document Server

Doyle, Barry; Wittek, Adam; Nielsen, Poul; Miller, Karol

2016-01-01

The Computational Biomechanics for Medicine titles provide an opportunity for specialists in computational biomechanics to present their latest methodologies and advancements. This volume comprises eighteen of the newest approaches and applications of computational biomechanics, from researchers in Australia, New Zealand, USA, UK, Switzerland, Scotland, France and Russia. Some of the interesting topics discussed are: tailored computational models; traumatic brain injury; soft-tissue mechanics; medical image analysis; and clinically-relevant simulations. One of the greatest challenges facing the computational engineering community is to extend the success of computational mechanics to fields outside traditional engineering, in particular to biology, the biomedical sciences, and medicine. We hope the research presented within this book series will contribute to overcoming this grand challenge.

Modeling aspects of human memory for scientific study.

Energy Technology Data Exchange (ETDEWEB)

Caudell, Thomas P. (University of New Mexico); Watson, Patrick (University of Illinois - Champaign-Urbana Beckman Institute); McDaniel, Mark A. (Washington University); Eichenbaum, Howard B. (Boston University); Cohen, Neal J. (University of Illinois - Champaign-Urbana Beckman Institute); Vineyard, Craig Michael; Taylor, Shawn Ellis; Bernard, Michael Lewis; Morrow, James Dan; Verzi, Stephen J.

2009-10-01

Working with leading experts in the field of cognitive neuroscience and computational intelligence, SNL has developed a computational architecture that represents neurocognitive mechanisms associated with how humans remember experiences in their past. The architecture represents how knowledge is organized and updated through information from individual experiences (episodes) via the cortical-hippocampal declarative memory system. We compared the simulated behavioral characteristics with those of humans measured under well established experimental standards, controlling for unmodeled aspects of human processing, such as perception. We used this knowledge to create robust simulations of & human memory behaviors that should help move the scientific community closer to understanding how humans remember information. These behaviors were experimentally validated against actual human subjects, which was published. An important outcome of the validation process will be the joining of specific experimental testing procedures from the field of neuroscience with computational representations from the field of cognitive modeling and simulation.

Computer based ultrasonic system for mechanical and acoustical characterization of materials

International Nuclear Information System (INIS)

Rosly Jaafar; Mohd Rozni Mohd Yusof; Khaidzir Hamzah; Md Supar Rohani; Rashdi Shah Ahmad; Amiruddin Shaari

2001-01-01

Propagation of both modes of ultrasonic waves velocity i.e. longitudinal (compressional) and transverse (shear), propagating in a material are closely linked with the material's physical and mechanical properties. By measuring both velocity modes, materials' properties such as Young's, bulk and shear moduli, compressibility, Poisson ratio and acoustic impedance can be determined. This paper describes the development of a system that is able to perform the above tasks and is known as Computer Based Ultrasonic for Mechanical and Acoustical Characterisation of Materials (UMC). The system was developed in the NDT Instrumentation and Signal Processing (NDTSP) laboratory of the Physics Department, Universiti Teknologi Malaysia. Measurements were made on four solid samples, namely, glass, copper, mild steel and aluminium. The results of measurements obtained were found to be in good agreement with the values of measurements made using standard methods. The main advantage of using this system over other methods is that single measurement of two ultrasonic velocity modes yields six material's properties. (Author)

2016 Annual Site Environmental report Sandia National Laboratories Tonopah Test Range Nevada & Kaua'i Test Facility Hawai'i.

Energy Technology Data Exchange (ETDEWEB)

Salas, Angela Maria [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Griffith, Stacy R. [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)

2017-07-01

Sandia National Laboratories (SNL) is a multimission laboratory managed and operated by National Technology & Engineering Solutions of Sandia, LLC, a wholly owned subsidiary of Honeywell International Inc., for the U.S. Department of Energy’s (DOE’s), National Nuclear Security Administration (NNSA) under contract DE-NA0003525. The DOE/NNSA Sandia Field Office administers the contract and oversees contractor operations at the SNL, Tonopah Test Range (SNL/TTR) in Nevada and the SNL, Kaua‘i Test Facility (SNL/KTF) in Hawai‘i. SNL personnel manage and conduct operations at SNL/TTR in support of the DOE/NNSA’s Weapons Ordnance Program and have operated the site since 1957. Navarro Research and Engineering personnel perform most of the environmental programs activities at SNL/TTR. The DOE/NNSA/Nevada Field Office retains responsibility for cleanup and management of SNL/TTR Environmental Restoration sites. SNL personnel operate SNL/KTF as a rocket preparation launching and tracking facility. This Annual Site Environmental Report (ASER) summarizes data and the compliance status of sustainability, environmental protection, and monitoring programs at SNL/TTR and SNL/KTF during calendar year 2016. Major environmental programs include air quality, water quality, groundwater protection, terrestrial and biological surveillance, waste management, pollution prevention, environmental restoration, oil and chemical spill prevention, and implementation of the National Environmental Policy Act. This ASER is prepared in accordance with and as required by DOE O 231.1B, Admin Change 1, Environment, Safety, and Health Reporting.

Institutional Transformation Version 2.5 Modeling and Planning.

Energy Technology Data Exchange (ETDEWEB)

Villa, Daniel [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Mizner, Jack H. [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Passell, Howard D. [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Gallegos, Gerald R. [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Peplinski, William John [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Vetter, Douglas W. [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Evans, Christopher A. [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Malczynski, Leonard A. [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Addison, Marlin [Arizona State Univ., Mesa, AZ (United States); Schaffer, Matthew A. [Bridgers and Paxton Engineering Firm, Albuquerque, NM (United States); Higgins, Matthew W. [Vibrantcy, Albuquerque, NM (United States)

2017-02-01

., representing 80% of the energy consumption at SNL. SNL has been able to leverage this model to estimate energy savings potential of many competing ECMs. The results helped high level decision makers to create energy reduction goals for SNL. These resources also have multiple applications for use of the models as individual buildings. In addition to the building module, a solar module built in Powersim Studio (r) allows planners to evaluate the potential photovoltaic (PV) energy generation potential for flat plate PV, concentrating solar PV, and concentration solar thermal technologies at multiple sites across SNL's New Mexico campus. Development of the IX modeling framework was a unique collaborative effort among planners and engineers in SNL's facilities division; scientists and computer modelers in SNL's research and development division; faculty from Arizona State University; and energy modelers from Bridger and Paxton Consulting Engineers Incorporated.

The FORCE: A portable parallel programming language supporting computational structural mechanics

Science.gov (United States)

Jordan, Harry F.; Benten, Muhammad S.; Brehm, Juergen; Ramanan, Aruna

1989-01-01

This project supports the conversion of codes in Computational Structural Mechanics (CSM) to a parallel form which will efficiently exploit the computational power available from multiprocessors. The work is a part of a comprehensive, FORTRAN-based system to form a basis for a parallel version of the NICE/SPAR combination which will form the CSM Testbed. The software is macro-based and rests on the force methodology developed by the principal investigator in connection with an early scientific multiprocessor. Machine independence is an important characteristic of the system so that retargeting it to the Flex/32, or any other multiprocessor on which NICE/SPAR might be imnplemented, is well supported. The principal investigator has experience in producing parallel software for both full and sparse systems of linear equations using the force macros. Other researchers have used the Force in finite element programs. It has been possible to rapidly develop software which performs at maximum efficiency on a multiprocessor. The inherent machine independence of the system also means that the parallelization will not be limited to a specific multiprocessor.

Computational modelling of the mechanics of trabecular bone and marrow using fluid structure interaction techniques.

Science.gov (United States)

Birmingham, E; Grogan, J A; Niebur, G L; McNamara, L M; McHugh, P E

2013-04-01

Bone marrow found within the porous structure of trabecular bone provides a specialized environment for numerous cell types, including mesenchymal stem cells (MSCs). Studies have sought to characterize the mechanical environment imposed on MSCs, however, a particular challenge is that marrow displays the characteristics of a fluid, while surrounded by bone that is subject to deformation, and previous experimental and computational studies have been unable to fully capture the resulting complex mechanical environment. The objective of this study was to develop a fluid structure interaction (FSI) model of trabecular bone and marrow to predict the mechanical environment of MSCs in vivo and to examine how this environment changes during osteoporosis. An idealized repeating unit was used to compare FSI techniques to a computational fluid dynamics only approach. These techniques were used to determine the effect of lower bone mass and different marrow viscosities, representative of osteoporosis, on the shear stress generated within bone marrow. Results report that shear stresses generated within bone marrow under physiological loading conditions are within the range known to stimulate a mechanobiological response in MSCs in vitro. Additionally, lower bone mass leads to an increase in the shear stress generated within the marrow, while a decrease in bone marrow viscosity reduces this generated shear stress.

Computational contact and impact mechanics fundamentals of modeling interfacial phenomena in nonlinear finite element analysis

CERN Document Server

Laursen, Tod A

2003-01-01

This book comprehensively treats the formulation and finite element approximation of contact and impact problems in nonlinear mechanics. Intended for students, researchers and practitioners interested in numerical solid and structural analysis, as well as for engineers and scientists dealing with technologies in which tribological response must be characterized, the book includes an introductory but detailed overview of nonlinear finite element formulations before dealing with contact and impact specifically. Topics encompassed include the continuum mechanics, mathematical structure, variational framework, and finite element implementations associated with contact/impact interaction. Additionally, important and currently emerging research topics in computational contact mechanics are introduced, encompassing such topics as tribological complexity, conservative treatment of inelastic impact interaction, and novel spatial discretization strategies.

Biological Select Agents and Toxins: Risk-Based Assessment Management and Oversight.

Energy Technology Data Exchange (ETDEWEB)

Burnett, LouAnn Crawford; Brodsky, Benjamin H.

2016-12-01

Sandia National Laboratories' International Biological and Chemical Threat Reduction (SNL/IBCTR) conducted, on behalf of the Federal Select Agent Program (FSAP), a review of risk assessment in modern select agent laboratories. This review and analysis consisted of literature review, interviews of FSAP staff, entities regulated by FSAP, and deliberations of an expert panel. Additionally, SNL/IBCTR reviewed oversight mechanisms used by industries, US agencies, and other countries for high-consequence risks (e.g, nuclear, chemical, or biological materials, aviation, off-shore drilling, etc.) to determine if alternate oversight mechanisms existed that might be applicable to FSAP oversight of biological select agents and toxins. This report contains five findings, based on these reviews and analyses, with recommendations and suggested actions for FSAP to consider.

Quantum Statistical Mechanics on a Quantum Computer

NARCIS (Netherlands)

Raedt, H. De; Hams, A.H.; Michielsen, K.; Miyashita, S.; Saito, K.; Saito, E.

2000-01-01

We describe a simulation method for a quantum spin model of a generic, general purpose quantum computer. The use of this quantum computer simulator is illustrated through several implementations of Grover’s database search algorithm. Some preliminary results on the stability of quantum algorithms

Parallel algorithms and archtectures for computational structural mechanics

Science.gov (United States)

Patrick, Merrell; Ma, Shing; Mahajan, Umesh

1989-01-01

The determination of the fundamental (lowest) natural vibration frequencies and associated mode shapes is a key step used to uncover and correct potential failures or problem areas in most complex structures. However, the computation time taken by finite element codes to evaluate these natural frequencies is significant, often the most computationally intensive part of structural analysis calculations. There is continuing need to reduce this computation time. This study addresses this need by developing methods for parallel computation.

The evaluation of role of NMDA receptor and spinal microglia on age dependent differences of neuropathic pain in SNL model in male rats

Directory of Open Access Journals (Sweden)

Hussain zeinali

2015-04-01

Full Text Available Background: Induced neuropathic pain following nerve injury has behavioral signs such as allodynia and hyperalgesia. There are reports about the age dependent differences in severity and incidence and even therapeutic response of this pain. In this study, we have tried to evaluate behavioral differences of this pain in an induced neuropathic model in different ages, according to important role of N-methyl, D-aspartate (NMDA receptor and spinal microglia on induction and maintenance of pain. Material and methods: Male rats were grouped in young (5-6 week and mature (10-11 week. Under general anesthesia, the spinal nerve ligation (SNL surgery was operated on right leg. The effect of different doses of dextromethorphan (NMDA blocker and minocycline (microglia inhibitor on 5th day after surgery was evaluated and compared in two age-groups. Results: In this study, both Minocycline and dextromethorphan diminished neuropathic pain in a dose dependent manner in these two ages. Minocycline in contrast to dextromethorphan was more effective in young rats. The co-administration of ineffective doses of minocycline and dextromethorphan could be effective. Conclusion: Microglia and NMDA receptor function in neuropathic pain is different in different ages and the role of microglia is more evident. On the other hand the inhibition of both microglia and NMDA receptor can be considered for lowering neuropathic pain.

Lymphoscintigraphy for sentinel lymph node detection in breast cancer: usefulness of image truncation

International Nuclear Information System (INIS)

Carrier, P.; Remp, H.J.; Chaborel, J.P.; Lallement, M.; Bussiere, F.; Darcourt, J.; Lallement, M.; Leblanc-Talent, P.; Machiavello, J.C.; Ettore, F.

2004-01-01

The sentinel lymph node (SNL) detection in breast cancer has been recently validated. It allows the reduction of the number of axillary dissections and their corresponding side effects. We tested a simple method of image truncation in order to improve the sensitivity of lymphoscintigraphy. This approach is justified by the magnitude of uptake difference between the injection site and the SNL. We prospectively investigated SNL detection using a triple method (lymphoscintigraphy, blue dye and surgical radio detection) in 130 patients. SNL was identified in 104 of the 132 patients (80%) using the standard images and in 126 of them (96, 9%) using the truncated images. Blue dye detection and surgical radio detection had a sensitivity of 76,9% and 98,5% respectively. The false negative rate was 10,3%. 288 SNL were dissected, 31 were metastatic. Among the 19 patients with metastatic SNL and more than one SNL detected, the metastatic SNL was not the hottest in 9 of them. 28 metastatic SNL were detected Y on truncated images versus only 19 on standard images. Truncation which dramatically increases the sensitivity of lymphoscintigraphy allows to increase the number of dissected SNL and probably reduces the false negative rate. (author)

Rotation, Reflection, and Frame Changes; Orthogonal tensors in computational engineering mechanics

Science.gov (United States)

Brannon, R. M.

2018-04-01

Whilst vast literature is available for the most common rotation-related tasks such as coordinate changes, most reference books tend to cover one or two methods, and resources for less-common tasks are scarce. Specialized research applications can be found in disparate journal articles, but a self-contained comprehensive review that covers both elementary and advanced concepts in a manner comprehensible to engineers is rare. Rotation, Reflection, and Frame Changes surveys a refreshingly broad range of rotation-related research that is routinely needed in engineering practice. By illustrating key concepts in computer source code, this book stands out as an unusually accessible guide for engineers and scientists in engineering mechanics.

Rapid, computer vision-enabled murine screening system identifies neuropharmacological potential of two new mechanisms

Directory of Open Access Journals (Sweden)

Steven L Roberds

2011-09-01

Full Text Available The lack of predictive in vitro models for behavioral phenotypes impedes rapid advancement in neuropharmacology and psychopharmacology. In vivo behavioral assays are more predictive of activity in human disorders, but such assays are often highly resource-intensive. Here we describe the successful application of a computer vision-enabled system to identify potential neuropharmacological activity of two new mechanisms. The analytical system was trained using multiple drugs that are used clinically to treat depression, schizophrenia, anxiety, and other psychiatric or behavioral disorders. During blinded testing the PDE10 inhibitor TP-10 produced a signature of activity suggesting potential antipsychotic activity. This finding is consistent with TP-10’s activity in multiple rodent models that is similar to that of clinically used antipsychotic drugs. The CK1ε inhibitor PF-670462 produced a signature consistent with anxiolytic activity and, at the highest dose tested, behavioral effects similar to that of opiate analgesics. Neither TP-10 nor PF-670462 was included in the training set. Thus, computer vision-based behavioral analysis can facilitate drug discovery by identifying neuropharmacological effects of compounds acting through new mechanisms.

Validity and Reliability of Orthodontic Loops between Mechanical Testing and Computer Simulation: An Finite Element Method Study

Directory of Open Access Journals (Sweden)

Gaurav Sepolia

2014-01-01

Full Text Available The magnitude and direction of orthodontic force is one of the essential concerns of orthodontic tooth movements. Excessive force may cause root resorption and mobility of the tooth, whereas low force level may results in prolonged treatment. The addition of loops allows the clinician to more accurately achieve the desired results. Aims and objectives: The purpose of the study was to evaluate the validity and reliability of orthodontic loops between mechanical testing and computer simulation. Materials and methods: Different types of loops were taken and divided into four groups: The Teardrop loop, Opus loop, L loop and T loop. These were artificially activated for multiple lengths and studied using the FEM. Results: The Teardrop loop showed the highest force level, and there is no significant difference between mechanical testing and computer simulation.

Electrophysiological characterization of activation state-dependent Ca(v)2 channel antagonist TROX-1 in spinal nerve injured rats.

Science.gov (United States)

Patel, R; Rutten, K; Valdor, M; Schiene, K; Wigge, S; Schunk, S; Damann, N; Christoph, T; Dickenson, A H

2015-06-25

Prialt, a synthetic version of Ca(v)2.2 antagonist ω-conotoxin MVIIA derived from Conus magus, is the first clinically approved voltage-gated calcium channel blocker for refractory chronic pain. However, due to the narrow therapeutic window and considerable side effects associated with systemic dosing, Prialt is only administered intrathecally. N-triazole oxindole (TROX-1) is a novel use-dependent and activation state-selective small-molecule inhibitor of Ca(v)2.1, 2.2 and 2.3 calcium channels designed to overcome the limitations of Prialt. We have examined the neurophysiological and behavioral effects of blocking calcium channels with TROX-1. In vitro, TROX-1, in contrast to state-independent antagonist Prialt, preferentially inhibits Ca(v)2.2 currents in rat dorsal root ganglia (DRG) neurons under depolarized conditions. In vivo electrophysiology was performed to record from deep dorsal horn lamina V/VI wide dynamic range neurons in non-sentient spinal nerve-ligated (SNL) and sham-operated rats. In SNL rats, spinal neurons exhibited reduced responses to innocuous and noxious punctate mechanical stimulation of the receptive field following subcutaneous administration of TROX-1, an effect that was absent in sham-operated animals. No effect was observed on neuronal responses evoked by dynamic brushing, heat or cold stimulation in SNL or sham rats. The wind-up response of spinal neurons following repeated electrical stimulation of the receptive field was also unaffected. Spinally applied TROX-1 dose dependently inhibited mechanically evoked neuronal responses in SNL but not sham-operated rats, consistent with behavioral observations. This study confirms the pathological state-dependent actions of TROX-1 through a likely spinal mechanism and reveals a modality selective change in calcium channel function following nerve injury. Copyright © 2015 The Authors. Published by Elsevier Ltd.. All rights reserved.

Fluid-Thermal-Structural Coupled Analysis of a Radial Inflow Micro Gas Turbine Using Computational Fluid Dynamics and Computational Solid Mechanics

Directory of Open Access Journals (Sweden)

Yonghui Xie

2014-01-01

Full Text Available A three-dimensional fluid-thermal-structural coupled analysis for a radial inflow micro gas turbine is conducted. First, a fluid-thermal coupled analysis of the flow and temperature fields of the nozzle passage and the blade passage is performed by using computational fluid dynamics (CFD. The flow and heat transfer characteristics of different sections are analyzed in detail. The thermal load and the aerodynamic load are then obtained from the temperature field and the pressure distribution. The stress distributions of the blade are finally studied by using computational solid mechanics (CSM considering three cases of loads: thermal load, aerodynamics load combined with centrifugal load, and all the three types of loads. The detailed parameters of the flow, temperature, and the stress are obtained and analyzed. The numerical results obtained provide a useful knowledge base for further exploration of radial gas turbine design.

A Finite-Volume computational mechanics framework for multi-physics coupled fluid-stress problems

International Nuclear Information System (INIS)

Bailey, C; Cross, M.; Pericleous, K.

1998-01-01

Where there is a strong interaction between fluid flow, heat transfer and stress induced deformation, it may not be sufficient to solve each problem separately (i.e. fluid vs. stress, using different techniques or even different computer codes). This may be acceptable where the interaction is static, but less so, if it is dynamic. It is desirable for this reason to develop software that can accommodate both requirements (i.e. that of fluid flow and that of solid mechanics) in a seamless environment. This is accomplished in the University of Greenwich code PHYSICA, which solves both the fluid flow problem and the stress-strain equations in a unified Finite-Volume environment, using an unstructured computational mesh that can deform dynamically. Example applications are given of the work of the group in the metals casting process (where thermal stresses cause elasto- visco-plastic distortion)

Quantum Statistical Mechanics on a Quantum Computer

OpenAIRE

De Raedt, H.; Hams, A. H.; Michielsen, K.; Miyashita, S.; Saito, K.

1999-01-01

We describe a quantum algorithm to compute the density of states and thermal equilibrium properties of quantum many-body systems. We present results obtained by running this algorithm on a software implementation of a 21-qubit quantum computer for the case of an antiferromagnetic Heisenberg model on triangular lattices of different size.

Computational applications of the many-interacting-worlds interpretation of quantum mechanics.

Science.gov (United States)

Sturniolo, Simone

2018-05-01

While historically many quantum-mechanical simulations of molecular dynamics have relied on the Born-Oppenheimer approximation to separate electronic and nuclear behavior, recently a great deal of interest has arisen in quantum effects in nuclear dynamics as well. Due to the computational difficulty of solving the Schrödinger equation in full, these effects are often treated with approximate methods. In this paper, we present an algorithm to tackle these problems using an extension to the many-interacting-worlds approach to quantum mechanics. This technique uses a kernel function to rebuild the probability density, and therefore, in contrast with the approximation presented in the original paper, it can be naturally extended to n-dimensional systems. This opens up the possibility of performing quantum ground-state searches with steepest-descent methods, and it could potentially lead to real-time quantum molecular-dynamics simulations. The behavior of the algorithm is studied in different potentials and numbers of dimensions and compared both to the original approach and to exact Schrödinger equation solutions whenever possible.

The Use of Model Matching Video Analysis and Computational Simulation to Study the Ankle Sprain Injury Mechanism

Directory of Open Access Journals (Sweden)

Daniel Tik-Pui Fong

2012-10-01

Full Text Available Lateral ankle sprains continue to be the most common injury sustained by athletes and create an annual healthcare burden of over $4 billion in the U.S. alone. Foot inversion is suspected in these cases, but the mechanism of injury remains unclear. While kinematics and kinetics data are crucial in understanding the injury mechanisms, ligament behaviour measures – such as ligament strains – are viewed as the potential causal factors of ankle sprains. This review article demonstrates a novel methodology that integrates model matching video analyses with computational simulations in order to investigate injury-producing events for a better understanding of such injury mechanisms. In particular, ankle joint kinematics from actual injury incidents were deduced by model matching video analyses and then input into a generic computational model based on rigid bone surfaces and deformable ligaments of the ankle so as to investigate the ligament strains that accompany these sprain injuries. These techniques may have the potential for guiding ankle sprain prevention strategies and targeted rehabilitation therapies.

Secure cloud computing

CERN Document Server

Jajodia, Sushil; Samarati, Pierangela; Singhal, Anoop; Swarup, Vipin; Wang, Cliff

2014-01-01

This book presents a range of cloud computing security challenges and promising solution paths. The first two chapters focus on practical considerations of cloud computing. In Chapter 1, Chandramouli, Iorga, and Chokani describe the evolution of cloud computing and the current state of practice, followed by the challenges of cryptographic key management in the cloud. In Chapter 2, Chen and Sion present a dollar cost model of cloud computing and explore the economic viability of cloud computing with and without security mechanisms involving cryptographic mechanisms. The next two chapters addres

A study of the free vibration of suspension rod based on four-stage arm mechanism by using computer simulation

Directory of Open Access Journals (Sweden)

Melnychuk S.V.

2016-08-01

Full Text Available We analyze the current state of the prospects and problems of using computer technology to determine the operating parameters of movement of the vehicle. Scientific works related to the study of the properties of the vehicle smooth ride are studied. The following example shows that the modern researches of smooth ride do not pay enough attention to issues associated with the processes that occur in the suspension rod of a vehicle. Scientific works related to the choice of the optimal and simple CAD system for conducting computer simulation tests are overviewed. We developed an animating model of experimental car in SOLIDWORKS environment with the staff suspension rod and the suspension rod based on four-stage arm mechanism, which allows a wide range of tests of components of the vehicle. Methodology and hardware-software complex for testing a car are developed. A test of a vehicle of category N1 is conducted. A computer simulation of the motion of the smooth ride of the car with suspension rod based on four-stage arm mechanism is conducted. The comparative analysis of suspension rod performance based on four-stage arm mechanism is conducted.

PAH growth initiated by propargyl addition: Mechanism development and computational kinetics

KAUST Repository

Raj, Abhijeet Dhayal

2014-04-24

Polycyclic aromatic hydrocarbon (PAH) growth is known to be the principal pathway to soot formation during fuel combustion, as such, a physical understanding of the PAH growth mechanism is needed to effectively assess, predict, and control soot formation in flames. Although the hydrogen abstraction C2H2 addition (HACA) mechanism is believed to be the main contributor to PAH growth, it has been shown to under-predict some of the experimental data on PAHs and soot concentrations in flames. This article presents a submechanism of PAH growth that is initiated by propargyl (C 3H3) addition onto naphthalene (A2) and the naphthyl radical. C3H3 has been chosen since it is known to be a precursor of benzene in combustion and has appreciable concentrations in flames. This mechanism has been developed up to the formation of pyrene (A4), and the temperature-dependent kinetics of each elementary reaction has been determined using density functional theory (DFT) computations at the B3LYP/6-311++G(d,p) level of theory and transition state theory (TST). H-abstraction, H-addition, H-migration, β-scission, and intramolecular addition reactions have been taken into account. The energy barriers of the two main pathways (H-abstraction and H-addition) were found to be relatively small if not negative, whereas the energy barriers of the other pathways were in the range of (6-89 kcal·mol-1). The rates reported in this study may be extrapolated to larger PAH molecules that have a zigzag site similar to that in naphthalene, and the mechanism presented herein may be used as a complement to the HACA mechanism to improve prediction of PAH and soot formation. © 2014 American Chemical Society.

1996 Site environmental report Sandia National Laboratories Albuquerque, New Mexico

International Nuclear Information System (INIS)

Fink, C.H.; Duncan, D.; Sanchez, R.

1997-08-01

Sandia National Laboratories/New Mexico (SNL/NM) is operated in support of the U.S. Department of Energy (DOE) mission to provide weapon component technology and hardware for national security needs, and to conduct fundamental research and development (R ampersand D) to advance technology in energy research, computer science, waste management, electronics, materials science, and transportation safety for hazardous and nuclear components. In support of this mission, the Environmental Safety and Health (ES ampersand H) Center at SNL/NM conducts extensive environmental monitoring, surveillance, and compliance activities to assist SNL's line organizations in meeting all applicable environmental regulations applicable to the site including those regulating radiological and nonradiological effluents and emissions. Also herein are included, the status of environmental programs that direct and manage activities such as terrestrial surveillance; ambient air and meteorological monitoring; hazardous, radioactive, and solid waste management; pollution prevention and waste minimization; environmental restoration (ER); oil and chemical spill prevention; and National Environmental Policy Act (NEPA) documentation. This report has been prepared in compliance with DOE order 5400.1, General Environmental Protection

1996 Site environmental report Sandia National Laboratories Albuquerque, New Mexico

Energy Technology Data Exchange (ETDEWEB)

Fink, C.H. [ed.] [Sandia National Labs., Albuquerque, NM (United States); Duncan, D. [ed.] [GRAM, Inc., Albuquerque, NM (United States); Sanchez, R. [Jobs Plus, Albuquerque, NM (United States)

1997-08-01

Sandia National Laboratories/New Mexico (SNL/NM) is operated in support of the U.S. Department of Energy (DOE) mission to provide weapon component technology and hardware for national security needs, and to conduct fundamental research and development (R&D) to advance technology in energy research, computer science, waste management, electronics, materials science, and transportation safety for hazardous and nuclear components. In support of this mission, the Environmental Safety and Health (ES&H) Center at SNL/NM conducts extensive environmental monitoring, surveillance, and compliance activities to assist SNL`s line organizations in meeting all applicable environmental regulations applicable to the site including those regulating radiological and nonradiological effluents and emissions. Also herein are included, the status of environmental programs that direct and manage activities such as terrestrial surveillance; ambient air and meteorological monitoring; hazardous, radioactive, and solid waste management; pollution prevention and waste minimization; environmental restoration (ER); oil and chemical spill prevention; and National Environmental Policy Act (NEPA) documentation. This report has been prepared in compliance with DOE order 5400.1, General Environmental Protection.

Risk-assessment methodology development for waste isolation in geologic media

International Nuclear Information System (INIS)

Stevens, C.A.; Fullwood, R.R.; Amirijafari, B.; Basin, S.L.; Cohen, J.

1982-12-01

A review of three documents prepared for the USNRC by Sandia National Laboratories (SNL) is presented. These are NUREG/CR-1634, Volume 4 concerned with the effects of variable hydrology on waste migration; NUREG/CR-2324, a user's manual for SWIFT; and NUREG/2343, a user's manual for DNET. This review completes Task 4 of the detailed technical review of the SNL program for Risk Assessment Methodology Development for Waste Isolation in Geologic Media. In general, these reports exhibit high technical quality that characterizes the SNL work. They are tersely written with little condescension to the non-expert reader for understanding the physical situation being modeled. Indeed, the emphasis is on the mathematical procedures rather than the repository physics, leaving the adequacy of the results presented in many computer plots, pretty much to the interpretation of the reader. Other general comments have been presented previously, such as the data conservatisms, need for data that cannot be measured without disturbing the geometry, and the overall plan for use of the many codes developed in the program

A Multi-Scale Computational Study on the Mechanism of Streptococcus pneumoniae Nicotinamidase (SpNic

Directory of Open Access Journals (Sweden)

Bogdan F. Ion

2014-09-01

Full Text Available Nicotinamidase (Nic is a key zinc-dependent enzyme in NAD metabolism that catalyzes the hydrolysis of nicotinamide to give nicotinic acid. A multi-scale computational approach has been used to investigate the catalytic mechanism, substrate binding and roles of active site residues of Nic from Streptococcus pneumoniae (SpNic. In particular, density functional theory (DFT, molecular dynamics (MD and ONIOM quantum mechanics/molecular mechanics (QM/MM methods have been employed. The overall mechanism occurs in two stages: (i formation of a thioester enzyme-intermediate (IC2 and (ii hydrolysis of the thioester bond to give the products. The polar protein environment has a significant effect in stabilizing reaction intermediates and in particular transition states. As a result, both stages effectively occur in one step with Stage 1, formation of IC2, being rate limiting barrier with a cost of 53.5 kJ•mol−1 with respect to the reactant complex, RC. The effects of dispersion interactions on the overall mechanism were also considered but were generally calculated to have less significant effects with the overall mechanism being unchanged. In addition, the active site lysyl (Lys103 is concluded to likely play a role in stabilizing the thiolate of Cys136 during the reaction.

A multi-scale computational study on the mechanism of Streptococcus pneumoniae Nicotinamidase (SpNic).

Science.gov (United States)

Ion, Bogdan F; Kazim, Erum; Gauld, James W

2014-09-29

Nicotinamidase (Nic) is a key zinc-dependent enzyme in NAD metabolism that catalyzes the hydrolysis of nicotinamide to give nicotinic acid. A multi-scale computational approach has been used to investigate the catalytic mechanism, substrate binding and roles of active site residues of Nic from Streptococcus pneumoniae (SpNic). In particular, density functional theory (DFT), molecular dynamics (MD) and ONIOM quantum mechanics/molecular mechanics (QM/MM) methods have been employed. The overall mechanism occurs in two stages: (i) formation of a thioester enzyme-intermediate (IC2) and (ii) hydrolysis of the thioester bond to give the products. The polar protein environment has a significant effect in stabilizing reaction intermediates and in particular transition states. As a result, both stages effectively occur in one step with Stage 1, formation of IC2, being rate limiting barrier with a cost of 53.5 kJ·mol-1 with respect to the reactant complex, RC. The effects of dispersion interactions on the overall mechanism were also considered but were generally calculated to have less significant effects with the overall mechanism being unchanged. In addition, the active site lysyl (Lys103) is concluded to likely play a role in stabilizing the thiolate of Cys136 during the reaction.

A computer vision system for rapid search inspired by surface-based attention mechanisms from human perception.

Science.gov (United States)

Mohr, Johannes; Park, Jong-Han; Obermayer, Klaus

2014-12-01

Humans are highly efficient at visual search tasks by focusing selective attention on a small but relevant region of a visual scene. Recent results from biological vision suggest that surfaces of distinct physical objects form the basic units of this attentional process. The aim of this paper is to demonstrate how such surface-based attention mechanisms can speed up a computer vision system for visual search. The system uses fast perceptual grouping of depth cues to represent the visual world at the level of surfaces. This representation is stored in short-term memory and updated over time. A top-down guided attention mechanism sequentially selects one of the surfaces for detailed inspection by a recognition module. We show that the proposed attention framework requires little computational overhead (about 11 ms), but enables the system to operate in real-time and leads to a substantial increase in search efficiency. Copyright © 2014 Elsevier Ltd. All rights reserved.

Adaptation of OCA-P, a probabilistic fracture-mechanics code, to a personal computer

International Nuclear Information System (INIS)

Ball, D.G.; Cheverton, R.D.

1985-01-01

The OCA-P probabilistic fracture-mechanics code can now be executed on a personal computer with 512 kilobytes of memory, a math coprocessor, and a hard disk. A user's guide for the particular adaptation has been prepared, and additional importance sampling techniques for OCA-P have been developed that allow the sampling of only the tails of selected distributions. Features have also been added to OCA-P that permit RTNDT to be used as an ''independent'' variable in the calculation of P

Photostabilizing Efficiency of Poly(vinyl chloride in the Presence of Organotin(IV Complexes as Photostabilizers

Directory of Open Access Journals (Sweden)

Mustafa M. Ali

2016-08-01

Full Text Available Three organotin complexes containing furosemide as a ligand (L, Ph3SnL, Me2SnL2 and Bu2SnL2, were synthesized and characterized. Octahedral geometry was proposed for the Me2SnL2 and Bu2SnL2, while the Ph3SnL complex has trigonal bipyramid geometry. The synthesized organotin complexes (0.5% by weight were used as additives to improve the photostability of poly(vinyl chloride, PVC, (40 μm thickness upon irradiation. The changes imposed on functional groups, weight loss and viscosity average molecular weight of PVC films were monitored. The experimental results show that the rate of photodegradation was reduced in the presence of the organotin additives. The quantum yield of the chain scission was found to be low (9.8 × 10−7 when Ph3SnL was used as a PVC photostabilizer compared to controlled PVC (5.18 × 10−6. In addition, the atomic force microscope images for the PVC films containing Ph3SnL2 after irradiation shows a smooth surface compared to the controlled films. The rate of PVC photostabilization was found to be highest for Ph3SnL followed by Bu2SnL2 and Me2SnL2. It has been suggested that the organotin complexes could act as hydrogen chloride scavengers, ultraviolet absorbers, peroxide decomposers and/or radical scavengers.

Experimental and Computational Evidence for the Mechanism of Intradiol Catechol Dioxygenation by Non- Heme Iron(III) Complexes

NARCIS (Netherlands)

Jastrzebski, Robin; Quesne, Matthew G.; Weckhuysen, Bert M.; de Visser, Sam P.; Bruijnincx, Pieter C. A.

2014-01-01

Catechol intradiol dioxygenation is a unique reaction catalyzed by iron-dependent enzymes and nonheme iron(III) complexes. The mechanism by which these systems activate dioxygen in this important metabolic process remains controversial. Using a combination of kinetic measurements and computational

FEMAXI-III: a computer code for the analysis of thermal and mechanical behavior of fuel rods

International Nuclear Information System (INIS)

Nakajima, Tetsuo; Ichikawa, Michio; Iwano, Yoshihiko; Ito, Kenichi; Saito, Hiroaki; Kashima, Koichi; Kinoshita, Motoyasu; Okubo, Tadatsune.

1985-12-01

FEMAXI-III is a computer code to predict the thermal and mechanical behavior of a light water fuel rod during its irradiation life. It can analyze the integral behavior of a whole fuel rod throughout its life, as well as the localized behavior of a small part of fuel rod. The localized mechanical behavior such as the cladding ridge deformation is analyzed by the two-dimensional axisymmetric finite element method. FEMAXI-III calculates, in particular, the temperature distribution, the radial deformation, the fission gas release, and the inner gas pressure as a function of irradiation time and axial position, and the stresses and strains in the fuel and cladding at a small part of fuel rod as a function of irradiation time. For this purpose, Elasto-plasticity, creep, thermal expansion, fuel cracking and crack healing, relocation, densification, swelling, hot pressing, heat generation distribution, fission gas release, and fuel-cladding mechanical interaction are modelled and their interconnected effects are considered in the code. Efforts have been made to improve the accuracy and stability of finite element solution and to minimize the computer memory and running time. This report describes the outline of the code and the basic models involved, and also includes the application of the code and its input manual. (author)

Technical Basis Document for Internal Dosimetry at Sandia National Laboratories Revision 2.

Energy Technology Data Exchange (ETDEWEB)

Potter, Charles A. [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)

2014-09-01

The RPID Project will be implemented at all SNL facilities for activities involving the processing and/or storing of radioactive materials. This project includes activities at the Tech Area (TA) I, TA II, TA III, TA IV, TA V, Coyote Test Field, and environmental restoration sites at SNL, located in Albuquerque, New Mexico, and the Kauai Test Facility(SNL/KTF). Reference to SNL throughout this document includes facilities and activities at the Albuquerque location and at SNL/KTF.

Finite element analysis of the mechanical properties of cellular aluminium based on micro-computed tomography

International Nuclear Information System (INIS)

Veyhl, C.; Belova, I.V.; Murch, G.E.; Fiedler, T.

2011-01-01

Research highlights: → Elastic and plastic anisotropy is observed for both materials → Both show qualitatively similar characteristics with quantitative differences → Distinctly higher mechanical properties for closed-cell foam → The 'big' and 'small' models show good agreement for the closed-cell foam. - Abstract: In the present paper, the macroscopic mechanical properties of open-cell M-Pore sponge (porosity of 91-93%) and closed-cell Alporas foam (porosity of 80-86%) are investigated. The complex geometry of these cellular materials is scanned by micro-computed tomography and used in finite element (FE) analysis. The mechanical properties are determined by uni-axial compression simulations in three perpendicular directions (x-, y- and z-direction). M-Pore and Alporas exhibit the same qualitative mechanical characteristics but with quantitative differences. In both cases, strong anisotropy is observed for Young's modulus and the 0.002 offset yield stress. Furthermore, for the investigated relative density range a linear dependence between relative density and mechanical properties is found. Finally, a distinctly higher Young's modulus and 0.002 offset yield stress is observed for Alporas.

FY17 Status Report on the Computing Systems for the Yucca Mountain Project TSPA-LA Models.

Energy Technology Data Exchange (ETDEWEB)

Appel, Gordon John [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Hadgu, Teklu [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Appel, Gordon John [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Reynolds, John Thomas [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Garland, Jason P. [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)

2017-10-01

Sandia National Laboratories (SNL) continued evaluation of total system performance assessment (TSPA) computing systems for the previously considered Yucca Mountain Project (YMP). This was done to maintain the operational readiness of the computing infrastructure (computer hardware and software) and knowledge capability for total system performance assessment (TSPA) type analysis, as directed by the National Nuclear Security Administration (NNSA), DOE 2010. This work is a continuation of the ongoing readiness evaluation reported in Lee and Hadgu (2014), Hadgu et al. (2015) and Hadgu and Appel (2016). The TSPA computing hardware (CL2014) and storage system described in Hadgu et al. (2015) were used for the current analysis. One floating license of GoldSim with Versions 9.60.300, 10.5, 11.1 and 12.0 was installed on the cluster head node, and its distributed processing capability was mapped on the cluster processors. Other supporting software were tested and installed to support the TSPA- type analysis on the server cluster. The current tasks included preliminary upgrade of the TSPA-LA from Version 9.60.300 to the latest version 12.0 and address DLL-related issues observed in the FY16 work. The model upgrade task successfully converted the Nominal Modeling case to GoldSim Versions 11.1/12. Conversions of the rest of the TSPA models were also attempted but program and operational difficulties precluded this. Upgrade of the remaining of the modeling cases and distributed processing tasks is expected to continue. The 2014 server cluster and supporting software systems are fully operational to support TSPA-LA type analysis.

Utility of cardiac computed tomography for evaluation of pannus in mechanical aortic valve.

Science.gov (United States)

Suh, Young Joo; Kim, Young Jin; Lee, Sak; Hong, Yoo Jin; Lee, Hye-Jeong; Hur, Jin; Choi, Byoung Wook; Chang, Byung-Chul

2015-08-01

The clinical significance of pannus detected on computed tomography (CT) has not yet been investigated. The purposes of this study were to investigate the clinical significance of pannus detected on cardiac CT in patients who underwent aortic valve replacement (AVR) with mechanical valves, and to determine predictors for pannus severity. A total of 92 patients who underwent cardiac CT and TTE and who had undergone mechanical AVR were included. The geometric orifice area (GOA), the presence of limitation of motion (LOM) and pannus were evaluated on CT. The GOA, presence of LOM, and presence and severity of pannus were compared with echocardiographic parameters. Logistic regression analysis was performed to determine the predictors for pannus severity. The GOA on CT positively correlated with effective orifice area on TTE (r = 0.733, P Pannus was found in 77.2% and LOM in 14.0%. With increasing pannus severity, mean transvalvular pressure gradient (PG) was significantly higher (P pannus, more severe pannus and LOM than patients with normal PG (P pannus (P pannus formation in patients with mechanical aortic valves. Moderate to severe pannus formation frequently occurred in patients with small mechanical valve size, Carbomedics valves, rheumatic heart disease and young age at AVR.

Computation of Quasi-Periodic Normally Hyperbolic Invariant Tori: Algorithms, Numerical Explorations and Mechanisms of Breakdown

Science.gov (United States)

Canadell, Marta; Haro, Àlex

2017-12-01

We present several algorithms for computing normally hyperbolic invariant tori carrying quasi-periodic motion of a fixed frequency in families of dynamical systems. The algorithms are based on a KAM scheme presented in Canadell and Haro (J Nonlinear Sci, 2016. doi: 10.1007/s00332-017-9389-y), to find the parameterization of the torus with prescribed dynamics by detuning parameters of the model. The algorithms use different hyperbolicity and reducibility properties and, in particular, compute also the invariant bundles and Floquet transformations. We implement these methods in several 2-parameter families of dynamical systems, to compute quasi-periodic arcs, that is, the parameters for which 1D normally hyperbolic invariant tori with a given fixed frequency do exist. The implementation lets us to perform the continuations up to the tip of the quasi-periodic arcs, for which the invariant curves break down. Three different mechanisms of breakdown are analyzed, using several observables, leading to several conjectures.

The right computational recipe for olefin metathesis with ru-based catalysts: The whole mechanism of ring-closing olefin metathesis

KAUST Repository

Poater, Albert

2014-10-14

The initiation mechanism of ruthenium methylidene complexes was studied detailing mechanistic insights of all involved reaction steps within a classical olefin metathesis pathway. Computational studies reached a good agreement with the rarely available experimental data and even enabled to complement them. As a result, a highly accurate computational and rather cheap recipe is presented; M06/TZVP//BP86/SVP (PCM, P = 1354 atm).

The right computational recipe for olefin metathesis with ru-based catalysts: The whole mechanism of ring-closing olefin metathesis

KAUST Repository

Poater, Albert; Pump, Eva; Vummaleti, Sai V. C.; Cavallo, Luigi

2014-01-01

The initiation mechanism of ruthenium methylidene complexes was studied detailing mechanistic insights of all involved reaction steps within a classical olefin metathesis pathway. Computational studies reached a good agreement with the rarely available experimental data and even enabled to complement them. As a result, a highly accurate computational and rather cheap recipe is presented; M06/TZVP//BP86/SVP (PCM, P = 1354 atm).

Overhead Crane Computer Model

Science.gov (United States)

Enin, S. S.; Omelchenko, E. Y.; Fomin, N. V.; Beliy, A. V.

2018-03-01

The paper has a description of a computer model of an overhead crane system. The designed overhead crane system consists of hoisting, trolley and crane mechanisms as well as a payload two-axis system. With the help of the differential equation of specified mechanisms movement derived through Lagrange equation of the II kind, it is possible to build an overhead crane computer model. The computer model was obtained using Matlab software. Transients of coordinate, linear speed and motor torque of trolley and crane mechanism systems were simulated. In addition, transients of payload swaying were obtained with respect to the vertical axis. A trajectory of the trolley mechanism with simultaneous operation with the crane mechanism is represented in the paper as well as a two-axis trajectory of payload. The designed computer model of an overhead crane is a great means for studying positioning control and anti-sway control systems.

Ten iterative steps for model development and evaluation applied to Computational Fluid Dynamics for Environmental Fluid Mechanic

NARCIS (Netherlands)

Blocken, B.J.E.; Gualtieri, C.

2012-01-01

Computational Fluid Dynamics (CFD) is increasingly used to study a wide variety of complex Environmental Fluid Mechanics (EFM) processes, such as water flow and turbulent mixing of contaminants in rivers and estuaries and wind flow and air pollution dispersion in urban areas. However, the accuracy

Understanding and preventing computer vision syndrome.

Science.gov (United States)

Loh, Ky; Redd, Sc

2008-01-01

The invention of computer and advancement in information technology has revolutionized and benefited the society but at the same time has caused symptoms related to its usage such as ocular sprain, irritation, redness, dryness, blurred vision and double vision. This cluster of symptoms is known as computer vision syndrome which is characterized by the visual symptoms which result from interaction with computer display or its environment. Three major mechanisms that lead to computer vision syndrome are extraocular mechanism, accommodative mechanism and ocular surface mechanism. The visual effects of the computer such as brightness, resolution, glare and quality all are known factors that contribute to computer vision syndrome. Prevention is the most important strategy in managing computer vision syndrome. Modification in the ergonomics of the working environment, patient education and proper eye care are crucial in managing computer vision syndrome.

UNDERSTANDING AND PREVENTING COMPUTER VISION SYNDROME

Directory of Open Access Journals (Sweden)

REDDY SC

2008-01-01

Full Text Available The invention of computer and advancement in information technology has revolutionized and benefited the society but at the same time has caused symptoms related to its usage such as ocular sprain, irritation, redness, dryness, blurred vision and double vision. This cluster of symptoms is known as computer vision syndrome which is characterized by the visual symptoms which result from interaction with computer display or its environment. Three major mechanisms that lead to computer vision syndrome are extraocular mechanism, accommodative mechanism and ocular surface mechanism. The visual effects of the computer such as brightness, resolution, glare and quality all are known factors that contribute to computer vision syndrome. Prevention is the most important strategy in managing computer vision syndrome. Modification in the ergonomics of the working environment, patient education and proper eye care are crucial in managing computer vision syndrome.

Advanced robotic technologies for transfer at Sandia National Laboratories

International Nuclear Information System (INIS)

Bennett, P.C.

1994-01-01

Hazardous operations which have in the past been completed by technicians are under increased scrutiny due to high costs and low productivity associated with providing protective clothing and environments. As a result, remote systems are needed to accomplish many hazardous materials handling tasks such as the clean-up of waste sites in which the exposure of personnel to radiation, chemical, explosive and other hazardous constituents is unacceptable. Computer models augmented by sensing, and structured, modular computing environments are proving effective in automating many unstructured hazardous tasks. Work at Sandia National Laboratories (SNL) has focused on applying flexible automation (robotics) to meet the needs of the U.S. Department of Energy (USDOE). Dismantling facilities, environmental remediation, and materials handling in changing, hazardous environments lead to many technical challenges. Computer planning, monitoring and operator assistance shorten training cycles, reduce errors, and speed execution of operations. Robotic systems that re-use well-understood generic technologies can be much better characterized than robotic systems developed for a particular application, leading to a more reliable and safer systems. Further safety in robotic operations results from use of environmental sensors and knowledge of the task and environment. Collision detection and avoidance is achieved from such sensor integration and model-based control. This paper discusses selected technologies developed at SNL for use within the USDOE complex that have been or are ready for transfer to government and industrial suppliers. These technologies include sensors, sub-systems, and the design philosophy applied to quickly integrate them into a working robotic system. This paper represents the work of many people at the Intelligent Systems and Robotics Center at SNL, to whom the credit belongs

COMPARISON OF COMPUTED TOMOGRAPHY AND ABDOMINAL RADIOGRAPHY FOR DETECTION OF CANINE MECHANICAL INTESTINAL OBSTRUCTION.

Science.gov (United States)

Drost, Wm Tod; Green, Eric M; Zekas, Lisa J; Aarnes, Turi K; Su, Lillian; Habing, Gregory G

2016-07-01

Vomiting, often caused by mechanical intestinal obstruction, is common in dogs. Equivocal radiographic signs often necessitate repeat radiographs or additional imaging procedures. For our prospective, case-controlled, accuracy study, we hypothesized the following: (1) using computed tomography (CT), radiologists will be more sensitive and specific for detecting mechanical intestinal obstruction and recommending surgery compared to using radiographs; and (2) using measurements, radiologists will be more sensitive and specific using radiographs or CT for detecting mechanical intestinal obstruction and recommending surgery. Twenty dogs had abdominal radiographs and abdominal CT. Seventeen dogs had abdominal surgery and three dogs were not obstructed based on clinical follow-up. Confidence levels (five-point scale) of three experienced radiologists for mechanical intestinal obstruction and recommending surgery were recorded before and after making selected measurements. Eight dogs had surgically confirmed mechanical intestinal obstruction, and 12 dogs did not have obstruction. For detecting mechanical intestinal obstruction, CT was more sensitive (95.8% vs. 79.2%) and specific (80.6% vs. 69.4%) compared to radiographs, but the difference was not statistically significant. For recommending surgery, radiography was more sensitive (91.7% vs. 83.3%) and specific (83.3% vs. 72.2%) than using CT, but differences were not statistically significant. We reported objective CT measurements for predicting small mechanical intestinal obstruction. By incorporating these objective data, the diagnosis of mechanical intestinal obstruction changed in five of 120 instances (radiographs and CT). In no instance (0/120), did the objective data change the recommendation for surgery. Using CT or abdominal radiographs for the detection of canine mechanical intestinal obstruction is sensitive and specific when evaluated by experienced veterinary radiologists. © 2016 American College of

Tramadol and propentofylline coadministration exerted synergistic effects on rat spinal nerve ligation-induced neuropathic pain.

Science.gov (United States)

Zhang, Jin; Wu, Dan; Xie, Cheng; Wang, Huan; Wang, Wei; Zhang, Hui; Liu, Rui; Xu, Li-Xian; Mei, Xiao-Peng

2013-01-01

Neuropathic pain is an intractable clinical problem. Drug treatments such as tramadol have been reported to effectively decrease neuropathic pain by inhibiting the activity of nociceptive neurons. It has also been reported that modulating glial activation could also prevent or reverse neuropathic pain via the administration of a glial modulator or inhibitor, such as propentofylline. Thus far, there has been no clinical strategy incorporating both neuronal and glial participation for treating neuropathic pain. Therefore, the present research study was designed to assess whether coadministration of tramadol and propentofylline, as neuronal and glial activation inhibitors, respectively, would exert a synergistic effect on the reduction of rat spinal nerve ligation (SNL)-induced neuropathic pain. Rats underwent SNL surgery to induce neuropathic pain. Pain behavioral tests were conducted to ascertain the effect of drugs on SNL-induced mechanical allodynia with von-Frey hairs. Proinflammatory factor interleukin-1β (IL-1β) expression was also detected by Real-time RT-PCR. Intrathecal tramadol and propentofylline administered alone relieved SNL-induced mechanical allodynia in a dose-dependent manner. Tramadol and propentofylline coadministration exerted a more potent effect in a synergistic and dose dependent manner than the intrathecal administration of either drug alone. Real-time RT-PCR demonstrated IL-1β up-expression in the ipsilateral spinal dorsal horn after the lesion, which was significantly decreased by tramadol and propentofylline coadministration. Inhibiting proinflammatory factor IL-1β contributed to the synergistic effects of tramadol and propentofylline coadministration on rat peripheral nerve injury-induced neuropathic pain. Thus, our study provided a rationale for utilizing a novel strategy for treating neuropathic pain by blocking the proinflammatory factor related pathways in the central nervous system.

Computational modeling of the mechanical modulation of the growth plate by sustained loading

Directory of Open Access Journals (Sweden)

Narváez-Tovar Carlos A

2012-09-01

Full Text Available Abstract This paper presents a computational model that describes the growth of the bone as a function of the proliferation and hypertrophy of chondrocytes in the growth plate. We have included the effects of the mechanical loads on the sizes of the proliferative and hypertrophic areas, the number of proliferative chondrocytes and the final size of the hypertrophic chondrocytes. The validation of the model was performed with experimental data published on other investigations about proximal tibia of rats, subjected to sustained axial stresses of 0.1 MPa, 0.0 MPa, -0.1 MPa and −0.2 MPa. Growth was simulated during 23 days, obtaining numerical errors between 2.77% and 3.73% with respect to experimental growth rates. The results obtained show that the model adequately simulates the behavior of the growth plate and the effect of mechanical loads over its cellular activity.

Biologically important conformational features of DNA as interpreted by quantum mechanics and molecular mechanics computations of its simple fragments.

Science.gov (United States)

Poltev, V; Anisimov, V M; Dominguez, V; Gonzalez, E; Deriabina, A; Garcia, D; Rivas, F; Polteva, N A

2018-02-01

Deciphering the mechanism of functioning of DNA as the carrier of genetic information requires identifying inherent factors determining its structure and function. Following this path, our previous DFT studies attributed the origin of unique conformational characteristics of right-handed Watson-Crick duplexes (WCDs) to the conformational profile of deoxydinucleoside monophosphates (dDMPs) serving as the minimal repeating units of DNA strand. According to those findings, the directionality of the sugar-phosphate chain and the characteristic ranges of dihedral angles of energy minima combined with the geometric differences between purines and pyrimidines determine the dependence on base sequence of the three-dimensional (3D) structure of WCDs. This work extends our computational study to complementary deoxydinucleotide-monophosphates (cdDMPs) of non-standard conformation, including those of Z-family, Hoogsteen duplexes, parallel-stranded structures, and duplexes with mispaired bases. For most of these systems, except Z-conformation, computations closely reproduce experimental data within the tolerance of characteristic limits of dihedral parameters for each conformation family. Computation of cdDMPs with Z-conformation reveals that their experimental structures do not correspond to the internal energy minimum. This finding establishes the leading role of external factors in formation of the Z-conformation. Energy minima of cdDMPs of non-Watson-Crick duplexes demonstrate different sequence-dependence features than those known for WCDs. The obtained results provide evidence that the biologically important regularities of 3D structure distinguish WCDs from duplexes having non-Watson-Crick nucleotide pairing.

Preliminary total-system analysis of a potential high-level nuclear waste repository at Yucca Mountain

International Nuclear Information System (INIS)

Eslinger, P.W.; Doremus, L.A.; Engel, D.W.; Miley, T.B.; Murphy, M.T.; Nichols, W.E.; White, M.D.; Langford, D.W.; Ouderkirk, S.J.

1993-01-01

The placement of high-level radioactive wastes in minded repositories deep underground is considered a disposal method that would effectively isolate these wastes from the environment for long periods of time. This report describes modeling performed at PNL for Yucca Mountain between May and November 1991 addressing the performance of the entire repository system related to regulatory criteria established by the EPA in 40 CFR Part 191. The geologic stratigraphy and material properties used in this study were chosen in cooperation with performance assessment modelers at Sandia National Laboratories (SNL). Sandia modeled a similar problem using different computer codes and a different modeling philosophy. Pacific Northwest Laboratory performed a few model runs with very complex models, and SNL performed many runs with much simpler (abstracted) models

Preliminary total-system analysis of a potential high-level nuclear waste repository at Yucca Mountain

Energy Technology Data Exchange (ETDEWEB)

Eslinger, P.W.; Doremus, L.A.; Engel, D.W.; Miley, T.B.; Murphy, M.T.; Nichols, W.E.; White, M.D. [Pacific Northwest Lab., Richland, WA (United States); Langford, D.W.; Ouderkirk, S.J. [Westinghouse Hanford Co., Richland, WA (United States)

1993-01-01

The placement of high-level radioactive wastes in mined repositories deep underground is considered a disposal method that would effectively isolate these wastes from the environment for long periods of time. This report describes modeling performed at PNL for Yucca Mountain between May and November 1991 addressing the performance of the entire repository system related to regulatory criteria established by the EPA in 40 CFR Part 191. The geologic stratigraphy and material properties used in this study were chosen in cooperation with performance assessment modelers at Sandia National Laboratories (SNL). Sandia modeled a similar problem using different computer codes and a different modeling philosophy. Pacific Northwest Laboratory performed a few model runs with very complex models, and SNL performed many runs with much simpler (abstracted) models.

Unconventional Quantum Computing Devices

OpenAIRE

Lloyd, Seth

2000-01-01

This paper investigates a variety of unconventional quantum computation devices, including fermionic quantum computers and computers that exploit nonlinear quantum mechanics. It is shown that unconventional quantum computing devices can in principle compute some quantities more rapidly than `conventional' quantum computers.

Hybrid Quantum Mechanics/Molecular Mechanics Solvation Scheme for Computing Free Energies of Reactions at Metal-Water Interfaces.

Science.gov (United States)

Faheem, Muhammad; Heyden, Andreas

2014-08-12

We report the development of a quantum mechanics/molecular mechanics free energy perturbation (QM/MM-FEP) method for modeling chemical reactions at metal-water interfaces. This novel solvation scheme combines planewave density function theory (DFT), periodic electrostatic embedded cluster method (PEECM) calculations using Gaussian-type orbitals, and classical molecular dynamics (MD) simulations to obtain a free energy description of a complex metal-water system. We derive a potential of mean force (PMF) of the reaction system within the QM/MM framework. A fixed-size, finite ensemble of MM conformations is used to permit precise evaluation of the PMF of QM coordinates and its gradient defined within this ensemble. Local conformations of adsorbed reaction moieties are optimized using sequential MD-sampling and QM-optimization steps. An approximate reaction coordinate is constructed using a number of interpolated states and the free energy difference between adjacent states is calculated using the QM/MM-FEP method. By avoiding on-the-fly QM calculations and by circumventing the challenges associated with statistical averaging during MD sampling, a computational speedup of multiple orders of magnitude is realized. The method is systematically validated against the results of ab initio QM calculations and demonstrated for C-C cleavage in double-dehydrogenated ethylene glycol on a Pt (111) model surface.

Thermal-cycle testing of the G-tunnel heated block

International Nuclear Information System (INIS)

Zimmerman, R.M.; Wilson, M.L.; Board, M.P.; Hall, M.E.; Schuch, R.L.

1985-01-01

Volcanic tuffs are being considered by the Department of Energy (DOE) as a medium for disposal of high-level radioactive wastes. The Nevada Nuclear Waste Storage Investigations (NNWSI) Project was established in 1977 to evaluate such disposal in geologic formations on or adjacent to the Nevada Test Site (NTS). Sandia National Laboratories (SNL), as one of the NNWSI project participants, is responsible for the rock mechanics program to support the design of underground portions of a radioactive-waste repository in tuff. A rock mechanics field testing program is underway in G-Tunnel in Rainier Mesa on the NTS, where tuffs similar to those at Yucca Mountain, the potential candidate site, are found; later experiments are planned as part of the exploratory shaft investigations in Yucca Mountain. Science Applications International Corporation has been under contract to SNL to prepare and install instrumentation and control systems and to aid in the evaluation of the heated-block rock mechanics experiment

6th International Workshop on Computational Kinematics

CERN Document Server

Gracia, Alba

2014-01-01

Computational kinematics is an enthralling area of science with a rich spectrum of problems at the junction of mechanics, robotics, computer science, mathematics, and computer graphics. The covered topics include design and optimization of cable-driven robots, analysis of parallel manipulators, motion planning, numerical methods for mechanism calibration and optimization, geometric approaches to mechanism analysis and design, synthesis of mechanisms, kinematical issues in biomechanics, construction of novel mechanical devices, as well as detection and treatment of singularities. The results should be of interest for practicing and research engineers as well as Ph.D. students from the fields of mechanical and electrical engineering, computer science, and computer graphics. Indexed in Conference Proceedings Citation Index- Science (CPCI-S).

Analysis of pellet cladding mechanical interaction using computational simulation

Energy Technology Data Exchange (ETDEWEB)

Berretta, José R.; Suman, Ricardo B.; Faria, Danilo P.; Rodi, Paulo A., E-mail: jose.berretta@marinha.mil.br [Centro Tecnológico da Marinha em São Paulo (CTMSP), São Paulo, SP (Brazil); Giovedi, Claudia, E-mail: claudia.giovedi@labrisco.usp.br [Universidade de Sao Paulo (LabRisco/USP), São Paulo, SP (Brazil). Laboratório de Análise, Avaliação e Gerenciamento de Riscos

2017-07-01

During the operation of Pressurized Water Reactors (PWR), specifically under power transients, the fuel pellet experiences many phenomena, such as swelling and thermal expansion. These dimensional changes in the fuel pellet can enable occurrence of contact it and the cladding along the fuel rod. Thus, pellet cladding mechanical interaction (PCMI), due this contact, induces stress increase at the contact points during a period, until the accommodation of the cladding to the stress increases. This accommodation occurs by means of the cladding strain, which can produce failure, if the fuel rod deformation is permanent or the burst limit of the cladding is reached. Therefore, the mechanical behavior of the cladding during the occurrence of PCMI under power transients shall be investigated during the fuel rod design. Considering the Accident Tolerant Fuel program which aims to develop new materials to be used as cladding in PWR, one important design condition to be evaluated is the cladding behavior under PCMI. The purpose of this paper is to analyze the effects of the PCMI on a typical PWR fuel rod geometry with stainless steel cladding under normal power transients using computational simulation (ANSYS code). The PCMI was analyzed considering four geometric situations at the region of interaction between pellet and cladding. The first case, called “perfect fuel model” was used as reference for comparison. In the second case, it was considered the occurrence of a pellet crack with the loss of a chip. The goal for the next two cases was that a pellet chip was positioned into the gap of pellet-cladding, in the situations described in the first two cases. (author)

Use of Computational Modeling to Evaluate Hypotheses About the Molecular and Cellular Mechanisms of Bystander Effects

Energy Technology Data Exchange (ETDEWEB)

Zhao, Yuchao; Conolly, Rory B; Andersen, Melvin E.

2006-11-21

This report describes the development of a computational systems biology approach to evaluate the hypotheses of molecular and cellular mechanisms of adaptive response to low dose ionizing radiation. Our concept is that computational models of signaling pathways can be developed and linked to biologically based dose response models to evaluate the underlying molecular mechanisms which lead to adaptive response. For development of quantitatively accurate, predictive models, it will be necessary to describe tissues consisting of multiple cell types where the different types each contribute in their own way to the overall function of the tissue. Such a model will probably need to incorporate not only cell type-specific data but also spatial information on the architecture of the tissue and on intercellular signaling. The scope of the current model was more limited. Data obtained in a number of different biological systems were synthesized to describe a chimeric, “average” population cell. Biochemical signaling pathways involved in sensing of DNA damage and in the activation of cell cycle checkpoint controls and the apoptotic path were also included. As with any computational modeling effort, it was necessary to develop these simplified initial descriptions (models) that can be iteratively refined. This preliminary model is a starting point which, with time, can evolve to a level of refinement where large amounts of detailed biological information are synthesized and a capability for robust predictions of dose- and time-response behaviors is obtained.

Technical report on micro-mechanical versus conventional modelling in non-linear fracture mechanics

International Nuclear Information System (INIS)

2001-07-01

While conventional fracture mechanics is capable of predicting crack growth behaviour if sufficient experimental observations are available, micro-mechanical modelling can both increase the accuracy of these predictions and model phenomena that are inaccessible by the conventional theory such as the ductile-cleavage temperature transition. A common argument against micro-mechanical modelling is that it is too complicated for use in routine engineering applications. This is both a computational and an educational problem. That micro-mechanical modelling is unnecessarily complicated is certainly true in many situations. The on-going development of micro-mechanical models, computational algorithms and computer speed will however most probably diminish the computational problem rather rapidly. Compare for instance the rate of development of computational methods for structural analysis. Meanwhile micro-mechanical modelling may serve as a tool by which more simplified engineering methods can be validated. The process of receiving a wide acceptance of the new methods is probably much slower. This involves many steps. First the research community must be in reasonable agreement on the methods and their use. Then the methods have to be implemented into computer software and into code procedures. The development and acceptance of conventional fracture mechanics may serve as an historical example of the time required before a new methodology has received a wide usage. The CSNI Working Group on Integrity and Ageing (IAGE) decided to carry out a report on micro-mechanical modeling to promote this promising and valuable technique. The report presents a comparison with non-linear fracture mechanics and highlights key aspects that could lead to a better knowledge and accurate predictions. Content: - 1. Introduction; - 2. Concepts of non-linear fracture mechanics with point crack tip modelling; - 3. Micro-mechanical models for cleavage fracture; - 4, Micro-mechanical modelling of

Technical Basis Document for Internal Dosimetry at Sandia National Laboratories Revision 3

Energy Technology Data Exchange (ETDEWEB)

Potter, Charles A. [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)

2014-09-01

The RPID Project is implemented at all SNL facilities for activities involving the processing and/or storing of radioactive materials. Reference to SNL throughout this document includes all SNL facilities and activities.

Computational force, mass, and energy

International Nuclear Information System (INIS)

Numrich, R.W.

1997-01-01

This paper describes a correspondence between computational quantities commonly used to report computer performance measurements and mechanical quantities from classical Newtonian mechanics. It defines a set of three fundamental computational quantities that are sufficient to establish a system of computational measurement. From these quantities, it defines derived computational quantities that have analogous physical counterparts. These computational quantities obey three laws of motion in computational space. The solutions to the equations of motion, with appropriate boundary conditions, determine the computational mass of the computer. Computational forces, with magnitudes specific to each instruction and to each computer, overcome the inertia represented by this mass. The paper suggests normalizing the computational mass scale by picking the mass of a register on the CRAY-1 as the standard unit of mass

Exsanguination of turbot and the effect on fillet quality measured mechanically by sensory evaluation, and with computer vision

NARCIS (Netherlands)

Roth, B.; Schelvis-Smit, A.A.M.; Stien, L.H.; Foss, A.; Nortvedt, R.; Imsland, A.

2007-01-01

In order to investigate the impact of blood residues on the end quality of exsanguinated and unbled farmed turbot (Scophthalmus maximus), meat quality was evaluated using mechanical, sensory, and computer imaging techniques. The results show that exsanguination is important for improving the visual

Computational Contact Mechanics Geometrically Exact Theory for Arbitrary Shaped Bodies

CERN Document Server

Konyukhov, Alexander

2013-01-01

This book contains a systematical analysis of geometrical situations  leading to  contact pairs -- point-to-surface, surface-to-surface, point-to-curve, curve-to-curve and curve-to-surface.  Each contact pair  is inherited with a special coordinate system based on its geometrical properties such as a Gaussian surface coordinate system or a Serret-Frenet curve coordinate system.  The formulation in a covariant form allows in a straightforward fashion to consider various constitutive relations for a  certain pair such as anisotropy for both frictional and structural parts. Then standard methods well known in computational contact mechanics such as penalty, Lagrange multiplier methods, combination of both and others  are formulated in these coordinate systems. Such formulations require then the powerful apparatus of differential geometry of surfaces and curves as well as of convex analysis. The final goals of such transformations are  then ready-for-implementation numerical algorithms within the finite e...

Resilient workflows for computational mechanics platforms

International Nuclear Information System (INIS)

Nguyen, Toan; Trifan, Laurentiu; Desideri, Jean-Antoine

2010-01-01

Workflow management systems have recently been the focus of much interest and many research and deployment for scientific applications worldwide. Their ability to abstract the applications by wrapping application codes have also stressed the usefulness of such systems for multidiscipline applications. When complex applications need to provide seamless interfaces hiding the technicalities of the computing infrastructures, their high-level modeling, monitoring and execution functionalities help giving production teams seamless and effective facilities. Software integration infrastructures based on programming paradigms such as Python, Mathlab and Scilab have also provided evidence of the usefulness of such approaches for the tight coupling of multidisciplne application codes. Also high-performance computing based on multi-core multi-cluster infrastructures open new opportunities for more accurate, more extensive and effective robust multi-discipline simulations for the decades to come. This supports the goal of full flight dynamics simulation for 3D aircraft models within the next decade, opening the way to virtual flight-tests and certification of aircraft in the future.

Sodium fast reactor gaps analysis of computer codes and models for accident analysis and reactor safety.

Energy Technology Data Exchange (ETDEWEB)

Carbajo, Juan (Oak Ridge National Laboratory, Oak Ridge, TN); Jeong, Hae-Yong (Korea Atomic Energy Research Institute, Daejeon, Korea); Wigeland, Roald (Idaho National Laboratory, Idaho Falls, ID); Corradini, Michael (University of Wisconsin, Madison, WI); Schmidt, Rodney Cannon; Thomas, Justin (Argonne National Laboratory, Argonne, IL); Wei, Tom (Argonne National Laboratory, Argonne, IL); Sofu, Tanju (Argonne National Laboratory, Argonne, IL); Ludewig, Hans (Brookhaven National Laboratory, Upton, NY); Tobita, Yoshiharu (Japan Atomic Energy Agency, Ibaraki-ken, Japan); Ohshima, Hiroyuki (Japan Atomic Energy Agency, Ibaraki-ken, Japan); Serre, Frederic (Centre d' %C3%94etudes nucl%C3%94eaires de Cadarache %3CU%2B2013%3E CEA, France)

2011-06-01

This report summarizes the results of an expert-opinion elicitation activity designed to qualitatively assess the status and capabilities of currently available computer codes and models for accident analysis and reactor safety calculations of advanced sodium fast reactors, and identify important gaps. The twelve-member panel consisted of representatives from five U.S. National Laboratories (SNL, ANL, INL, ORNL, and BNL), the University of Wisconsin, the KAERI, the JAEA, and the CEA. The major portion of this elicitation activity occurred during a two-day meeting held on Aug. 10-11, 2010 at Argonne National Laboratory. There were two primary objectives of this work: (1) Identify computer codes currently available for SFR accident analysis and reactor safety calculations; and (2) Assess the status and capability of current US computer codes to adequately model the required accident scenarios and associated phenomena, and identify important gaps. During the review, panel members identified over 60 computer codes that are currently available in the international community to perform different aspects of SFR safety analysis for various event scenarios and accident categories. A brief description of each of these codes together with references (when available) is provided. An adaptation of the Predictive Capability Maturity Model (PCMM) for computational modeling and simulation is described for use in this work. The panel's assessment of the available US codes is presented in the form of nine tables, organized into groups of three for each of three risk categories considered: anticipated operational occurrences (AOOs), design basis accidents (DBA), and beyond design basis accidents (BDBA). A set of summary conclusions are drawn from the results obtained. At the highest level, the panel judged that current US code capabilities are adequate for licensing given reasonable margins, but expressed concern that US code development activities had stagnated and that the

Computational Analysis of Pharyngeal Swallowing Mechanics in Patients with Motor Neuron Disease: A Pilot Investigation.

Science.gov (United States)

Garand, K L; Schwertner, Ryan; Chen, Amy; Pearson, William G

2018-04-01

Swallowing impairment (dysphagia) is a common sequela in patients with motor neuron disease (MND). The purpose of this retrospective, observational pilot investigation was to characterize how pharyngeal swallowing mechanics are impacted in patients with MND using a comparison with healthy, non-dysphagic control group. Computational analysis of swallowing mechanics (CASM) was used to determine covariate biomechanics of pharyngeal swallowing from videofluoroscopic assessment in 15 patients with MND and 15 age- and sex-matched healthy controls. Canonical variant analysis with post hoc discriminate function analysis (DFA) was performed on coordinate data mapping functional muscle groups underlying pharyngeal swallowing. Differences in swallowing mechanics associated with group (MND; control), motor neuron predominance (upper; lower), onset (bulbar; spinal), and swallow task (thin, pudding) were evaluated and visualized. Pharyngeal swallowing mechanics differed significantly in patients with MND compared with healthy controls (D = 2.01, p mechanics by motor neuron predominance (D = 5.03, p mechanics of patients with MND differ from and are more heterogeneous than healthy controls. These findings suggest patients with MND may compensate reductions in pharyngeal shortening and tongue base retraction by extending the head and neck and increasing hyolaryngeal excursion. This work and further CASM investigations will lead to further insights into development and evaluation of targeted clinical treatments designed to prolong safe and efficient swallowing function in patients with MND.

Sixth Computational Biomechanics for Medicine Workshop

CERN Document Server

Nielsen, Poul MF; Miller, Karol; Computational Biomechanics for Medicine : Deformation and Flow

2012-01-01

One of the greatest challenges for mechanical engineers is to extend the success of computational mechanics to fields outside traditional engineering, in particular to biology, biomedical sciences, and medicine. This book is an opportunity for computational biomechanics specialists to present and exchange opinions on the opportunities of applying their techniques to computer-integrated medicine. Computational Biomechanics for Medicine: Deformation and Flow collects the papers from the Sixth Computational Biomechanics for Medicine Workshop held in Toronto in conjunction with the Medical Image Computing and Computer Assisted Intervention conference. The topics covered include: medical image analysis, image-guided surgery, surgical simulation, surgical intervention planning, disease prognosis and diagnostics, injury mechanism analysis, implant and prostheses design, and medical robotics.

A Sandia National Laboratories decontamination and demolition success story

International Nuclear Information System (INIS)

Miller, D.R.; Barber, D.S.; Lipka, G.

1994-01-01

Sandia National Laboratories/New Mexico (SNL/NM) has established a formal facility assessment, decontamination and demolition oversight process with the goal of ensuring that excess or contaminated facilities are managed in a cost-effective manner that is protective of human health and the environment. The decontamination and demolition process is designed so that all disciplines are consulted and have input from the initiation of a project. The committee consists of all essential Environmental, Safety and Health (ES and H) and Facilities disciplines. The interdisciplinary-team approach has provided a mechanism that verifies adequate building and site assessment activities are conducted. This approach ensures that wastes generated during decontamination and demolition activities are handled and disposed according to Department of Energy (DOE), Federal, state, and local requirements. Because of the comprehensive nature of the SNL decontamination and demolition process, the strategy can be followed for demolition, renovation and new construction projects, regardless of funding source. An overview of the SNL/NM decontamination and demolition process is presented through a case study which demonstrates the practical importance of the formal process

Processing Optimization of Typed Resources with Synchronized Storage and Computation Adaptation in Fog Computing

Directory of Open Access Journals (Sweden)

Zhengyang Song

2018-01-01

Full Text Available Wide application of the Internet of Things (IoT system has been increasingly demanding more hardware facilities for processing various resources including data, information, and knowledge. With the rapid growth of generated resource quantity, it is difficult to adapt to this situation by using traditional cloud computing models. Fog computing enables storage and computing services to perform at the edge of the network to extend cloud computing. However, there are some problems such as restricted computation, limited storage, and expensive network bandwidth in Fog computing applications. It is a challenge to balance the distribution of network resources. We propose a processing optimization mechanism of typed resources with synchronized storage and computation adaptation in Fog computing. In this mechanism, we process typed resources in a wireless-network-based three-tier architecture consisting of Data Graph, Information Graph, and Knowledge Graph. The proposed mechanism aims to minimize processing cost over network, computation, and storage while maximizing the performance of processing in a business value driven manner. Simulation results show that the proposed approach improves the ratio of performance over user investment. Meanwhile, conversions between resource types deliver support for dynamically allocating network resources.

URANUS - a computer programme for the thermal and mechanical analysis of the fuel rods in a nuclear reactor

International Nuclear Information System (INIS)

Lassmann, K.

1978-01-01

The URANUS code, a digital computer programme for the thermal and mechanical analysis of integral fuel rods, is described. With this code the fuel rods found in the majority of power reactors can be analyzed. URANUS is built around a quasi two-dimensional analysis of fuel and cladding. The mechanical analysis can accommodate seven components of strain: elastic, time-independent plastic, creep and thermal strains, as well as strains due to swelling, cracking and densification. The heat generation and temperature distribution, cladding/fuel gap closure, pellet cracking and crack healing, fission-gas release, corrosion, O/M-distribution and plutonium redistribution are modelled. Geometric non-linearities (large displacements) are included; steady state or transient loading (pressure, temperature) is possible. In this paper special attention is paid to a theory for determining crack structures. The present status of the URANUS computer programme and a critical comparison with other fuel rod codes as well as sample analyses are given. (Auth.)

International Conference on Computational Engineering Science

CERN Document Server

Yagawa, G

1988-01-01

The aim of this Conference was to become a forum for discussion of both academic and industrial research in those areas of computational engineering science and mechanics which involve and enrich the rational application of computers, numerical methods, and mechanics, in modern technology. The papers presented at this Conference cover the following topics: Solid and Structural Mechanics, Constitutive Modelling, Inelastic and Finite Deformation Response, Transient Analysis, Structural Control and Optimization, Fracture Mechanics and Structural Integrity, Computational Fluid Dynamics, Compressible and Incompressible Flow, Aerodynamics, Transport Phenomena, Heat Transfer and Solidification, Electromagnetic Field, Related Soil Mechanics and MHD, Modern Variational Methods, Biomechanics, and Off-Shore-Structural Mechanics.

Resilient workflows for computational mechanics platforms

Science.gov (United States)

Nguyên, Toàn; Trifan, Laurentiu; Désidéri, Jean-Antoine

2010-06-01

Workflow management systems have recently been the focus of much interest and many research and deployment for scientific applications worldwide [26, 27]. Their ability to abstract the applications by wrapping application codes have also stressed the usefulness of such systems for multidiscipline applications [23, 24]. When complex applications need to provide seamless interfaces hiding the technicalities of the computing infrastructures, their high-level modeling, monitoring and execution functionalities help giving production teams seamless and effective facilities [25, 31, 33]. Software integration infrastructures based on programming paradigms such as Python, Mathlab and Scilab have also provided evidence of the usefulness of such approaches for the tight coupling of multidisciplne application codes [22, 24]. Also high-performance computing based on multi-core multi-cluster infrastructures open new opportunities for more accurate, more extensive and effective robust multi-discipline simulations for the decades to come [28]. This supports the goal of full flight dynamics simulation for 3D aircraft models within the next decade, opening the way to virtual flight-tests and certification of aircraft in the future [23, 24, 29].

Experimental and Computational Evidence for the Mechanism of Intradiol Catechol Dioxygenation by Non-Heme Iron(III) Complexes

Science.gov (United States)

Jastrzebski, Robin; Quesne, Matthew G; Weckhuysen, Bert M; de Visser, Sam P; Bruijnincx, Pieter C A

2014-01-01

Catechol intradiol dioxygenation is a unique reaction catalyzed by iron-dependent enzymes and non-heme iron(III) complexes. The mechanism by which these systems activate dioxygen in this important metabolic process remains controversial. Using a combination of kinetic measurements and computational modelling of multiple iron(III) catecholato complexes, we have elucidated the catechol cleavage mechanism and show that oxygen binds the iron center by partial dissociation of the substrate from the iron complex. The iron(III) superoxide complex that is formed subsequently attacks the carbon atom of the substrate by a rate-determining C=O bond formation step. PMID:25322920

Sandia National Laboratories/California site environmental report for 1997

Energy Technology Data Exchange (ETDEWEB)

Condouris, R.A. [ed.] [Sandia National Labs., Livermore, CA (United States); Holland, R.C. [Science Applications International Corp. (United States)

1998-06-01

Sandia National Laboratories (SNL) is committed to conducting its operations in an environmentally safe and sound manner. It is mandatory that activities at SNL/California comply with all applicable environmental statutes, regulations, and standards. Moreover, SNL/California continuously strives to reduce risks to employees, the public, and the environment to the lowest levels reasonably possible. To help verify effective protection of public safety and preservation of the environment, SNL/California maintains an extensive, ongoing environmental monitoring program. This program monitors all significant effluents and the environment at the SNL/California site perimeter. Lawrence Livermore National Laboratory (LLNL) performs off-site external radiation monitoring for both sites. These monitoring efforts ensure that emission controls are effective in preventing contamination of the environment. As part of SNL/California`s Environmental Monitoring Program, an environmental surveillance system measures the possible presence of hazardous materials in groundwater, stormwater, and sewage. The program also includes an extensive environmental dosimetry program, which measures external radiation levels around the Livermore site and nearby vicinity. The Site Environmental Report describes the results of SNL/California`s environmental protection activities during the calendar year. It also summarizes environmental monitoring data and highlights major environmental programs. Overall, it evaluates SNL/California`s environmental management performance and documents the site`s regulatory compliance status.

Sandia National Laboratories, California: site environmental report for 1997

International Nuclear Information System (INIS)

Condouris, R.A.; Holland, R.C.

1998-06-01

Sandia National Laboratories (SNL) is committed to conducting its operations in an environmentally safe and sound manner. It is mandatory that activities at SNL/California comply with all applicable environmental statutes, regulations, and standards. Moreover, SNL/California continuously strives to reduce risks to employees, the public, and the environment to the lowest levels reasonably possible. To help verify effective protection of public safety and preservation of the environment, SNL/California maintains an extensive, ongoing environmental monitoring program. This program monitors all significant effluents and the environment at the SNL/California site perimeter. Lawrence Livermore National Laboratory (LLNL) performs off-site external radiation monitoring for both sites. These monitoring efforts ensure that emission controls are effective in preventing contamination of the environment. As part of SNL/California's Environmental Monitoring Program, an environmental surveillance system measures the possible presence of hazardous materials in groundwater, stormwater, and sewage. The program also includes an extensive environmental dosimetry program, which measures external radiation levels around the Livermore site and nearby vicinity. The Site Environmental Report describes the results of SNL/California's environmental protection activities during the calendar year. It also summarizes environmental monitoring data and highlights major environmental programs. Overall, it evaluates SNL/California's environmental management performance and documents the site's regulatory compliance status

Controller's 2006 annual report : fiscal year ending September 30, 2006.

Energy Technology Data Exchange (ETDEWEB)

Crooks, Jennifer Shuk-Ian

2007-02-01

I am pleased to present the CFO's FY06 Financial Report for Sandia National Laboratories (SNL). As a contractor to DOE and other government agencies, the bulk of SNL's revenue is from tax dollars. SNL's FY06 total revenue, total expenditures, and total employment levels were slightly below the FY05 record high levels. Throughout FY06, SNL business staff continued to improve SNL's financial stewardship of entrusted taxpayer funds through implementation of best-in-class practices in financial business operations and internal control policies and procedures to ensure compliance with all accounting standards and provide accountability to our customers. Our FY06 efforts focused on process certification and improvement, implementing OMB Circular A-123, achieving assurance activities, implementation of a Financial Management Competency Program throughout SNL, and continuous assessment of trends and emerging issues.

Revealing −1 Programmed Ribosomal Frameshifting Mechanisms by Single-Molecule Techniques and Computational Methods

Directory of Open Access Journals (Sweden)

Kai-Chun Chang

2012-01-01

Full Text Available Programmed ribosomal frameshifting (PRF serves as an intrinsic translational regulation mechanism employed by some viruses to control the ratio between structural and enzymatic proteins. Most viral mRNAs which use PRF adapt an H-type pseudoknot to stimulate −1 PRF. The relationship between the thermodynamic stability and the frameshifting efficiency of pseudoknots has not been fully understood. Recently, single-molecule force spectroscopy has revealed that the frequency of −1 PRF correlates with the unwinding forces required for disrupting pseudoknots, and that some of the unwinding work dissipates irreversibly due to the torsional restraint of pseudoknots. Complementary to single-molecule techniques, computational modeling provides insights into global motions of the ribosome, whose structural transitions during frameshifting have not yet been elucidated in atomic detail. Taken together, recent advances in biophysical tools may help to develop antiviral therapies that target the ubiquitous −1 PRF mechanism among viruses.

Advances in Computational High-Resolution Mechanical Spectroscopy HRMS Part II: Resonant Frequency – Young's Modulus

International Nuclear Information System (INIS)

Majewski, M; Magalas, L B

2012-01-01

In this paper, we compare the values of the resonant frequency f 0 of free decaying oscillations computed according to the parametric OMI method (Optimization in Multiple Intervals) and nonparametric DFT-based (discrete Fourier transform) methods as a function of the sampling frequency. The analysis is carried out for free decaying signals embedded in an experimental noise recorded for metallic samples in a low-frequency resonant mechanical spectrometer. The Yoshida method (Y), the Agrez' method (A), and new interpolated discrete Fourier transform (IpDFT) methods, that is, the Yoshida-Magalas (YM) and (YM C ) methods developed by the authors are carefully compared for the resonant frequency f 0 = 1.12345 Hz and the logarithmic decrement, δ = 0.0005. Precise estimation of the resonant frequency (Youngs' modulus ∼ f 0 2 ) for real experimental conditions, i.e., for exponentially damped harmonic signals embedded in an experimental noise, is a complex task. In this work, various computing methods are analyzed as a function of the sampling frequency used to digitize free decaying oscillations. The importance of computing techniques to obtain reliable and precise values of the resonant frequency (i.e. Young's modulus) in materials science is emphasized.

Algorithmic mechanisms for reliable crowdsourcing computation under collusion.

Science.gov (United States)

Fernández Anta, Antonio; Georgiou, Chryssis; Mosteiro, Miguel A; Pareja, Daniel

2015-01-01

We consider a computing system where a master processor assigns a task for execution to worker processors that may collude. We model the workers' decision of whether to comply (compute the task) or not (return a bogus result to save the computation cost) as a game among workers. That is, we assume that workers are rational in a game-theoretic sense. We identify analytically the parameter conditions for a unique Nash Equilibrium where the master obtains the correct result. We also evaluate experimentally mixed equilibria aiming to attain better reliability-profit trade-offs. For a wide range of parameter values that may be used in practice, our simulations show that, in fact, both master and workers are better off using a pure equilibrium where no worker cheats, even under collusion, and even for colluding behaviors that involve deviating from the game.

Analysis of Alternatives (AoA) of Open Colllaboration and Research Capabilities Collaboratipon in Research and Engineering in Advanced Technology and Education and High-Performance Computing Innovation Center (HPCIC) on the LVOC.

Energy Technology Data Exchange (ETDEWEB)

Vrieling, P. Douglas [Sandia National Lab. (SNL-CA), Livermore, CA (United States)

2016-01-01

The Livermore Valley Open Campus (LVOC), a joint initiative of the National Nuclear Security Administration (NNSA), Lawrence Livermore National Laboratory (LLNL), and Sandia National Laboratories (SNL), enhances the national security missions of NNSA by promoting greater collaboration between world-class scientists at the national security laboratories, and their partners in industry and academia. Strengthening the science, technology, and engineering (ST&E) base of our nation is one of the NNSA’s top goals. By conducting coordinated and collaborative programs, LVOC enhances both the NNSA and the broader national science and technology base, and helps to ensure the health of core capabilities at LLNL and SNL. These capabilities must remain strong to enable the laboratories to execute their primary mission for NNSA.

Diseño de mecanismos de palancas asistido por computadora. // Computer Aided Design of lever mechanisms.

Directory of Open Access Journals (Sweden)

J. L. Betancourt Herrera

2001-07-01

Full Text Available En la práctica del diseño industrial hay múltiples problemas que requieren de la creación de un mecanismo concaracterísticas de movimiento peculiares. La elección de un método que permita la síntesis estructural, el planteamiento ysolución de las ecuaciones correspondientes, requeridas para el análisis cinemático de los mecanismos de palancas, en unaforma clara y simple, es un problema muy complejo de resolver en sentido general.Tomando como referencia la teoría para la formación de los grupos de Assur, el autor desarrolló el método de los gruposestructurales y sobre esta base el software DSM (Diseño y Simulación de Mecanismos, que es la herramienta de cómputopropuesta para apoyar al diseñador en el proceso de Diseño Cualitativo de Mecanismos de Palancas Asistido porComputadora, que consiste en un proceso iterativo entre síntesis y análisis con el que se pueden obtener los resultados de lavariación de la estructura de un mecanismo y de sus parámetros fundamentales, prácticamente en tiempo real.En el presente trabajo se definen y ejemplifican los conceptos y elementos principales relacionados con el diseñocualitativo de mecanismos de palancas asistido por computadora.Palabras claves: CAD, mecanismos de palancas, diseño industrial, análisis cinemático, síntesis estructural.___________________________________________________________________________AbstractThere are series of problems in industrial design practice that require a mechanism with specific characteristic movement.Selecting a method for achieving a clear and simple structural synthesis and cinematic analysis of lever mechanisms isgenerally understood as a hard-solving problem. Based on Assur´s Group Forming Theory, the author developed theStructural Groups Method and the DSM software (Design and Simulation of Mechanisms. This software is a tool intendedto help designers in the process of Computer Assisted Qualitative Design of Lever Mechanisms. It consists

Selective sensation based brain-computer interface via mechanical vibrotactile stimulation.

Science.gov (United States)

Yao, Lin; Meng, Jianjun; Zhang, Dingguo; Sheng, Xinjun; Zhu, Xiangyang

2013-01-01

In this work, mechanical vibrotactile stimulation was applied to subjects' left and right wrist skins with equal intensity, and a selective sensation perception task was performed to achieve two types of selections similar to motor imagery Brain-Computer Interface. The proposed system was based on event-related desynchronization/synchronization (ERD/ERS), which had a correlation with processing of afferent inflow in human somatosensory system, and attentional effect which modulated the ERD/ERS. The experiments were carried out on nine subjects (without experience in selective sensation), and six of them showed a discrimination accuracy above 80%, three of them above 95%. Comparative experiments with motor imagery (with and without presence of stimulation) were also carried out, which further showed the feasibility of selective sensation as an alternative BCI task complementary to motor imagery. Specifically there was significant improvement ([Formula: see text]) from near 65% in motor imagery (with and without presence of stimulation) to above 80% in selective sensation on some subjects. The proposed BCI modality might well cooperate with existing BCI modalities in the literature in enlarging the widespread usage of BCI system.

Selective Sensation Based Brain-Computer Interface via Mechanical Vibrotactile Stimulation

Science.gov (United States)

Yao, Lin; Meng, Jianjun; Zhang, Dingguo; Sheng, Xinjun; Zhu, Xiangyang

2013-01-01

In this work, mechanical vibrotactile stimulation was applied to subjects’ left and right wrist skins with equal intensity, and a selective sensation perception task was performed to achieve two types of selections similar to motor imagery Brain-Computer Interface. The proposed system was based on event-related desynchronization/synchronization (ERD/ERS), which had a correlation with processing of afferent inflow in human somatosensory system, and attentional effect which modulated the ERD/ERS. The experiments were carried out on nine subjects (without experience in selective sensation), and six of them showed a discrimination accuracy above 80%, three of them above 95%. Comparative experiments with motor imagery (with and without presence of stimulation) were also carried out, which further showed the feasibility of selective sensation as an alternative BCI task complementary to motor imagery. Specifically there was significant improvement () from near 65% in motor imagery (with and without presence of stimulation) to above 80% in selective sensation on some subjects. The proposed BCI modality might well cooperate with existing BCI modalities in the literature in enlarging the widespread usage of BCI system. PMID:23762253

Draft site-wide environmental impact statement for Sandia National Laboratories/New Mexico. Volume 1: Chapters 1-15

International Nuclear Information System (INIS)

1999-04-01

The DOE proposes to continue operating the Sandia National Laboratories/New Mexico (SNL/NM) located in central New Mexico. The DOE has identified and assessed three alternatives for the operation of SNL/NM: (1) No Action, (2) Expanded Operations, and (3) Reduced Operations. In the No Action Alternative, the DOE would continue the historical mission support activities SNL/NM has conducted at planned operational levels. In the Expanded Operations Alternative, the DOE would operate SNL/NM at the highest reasonable levels of activity currently foreseeable. Under the Reduced Operations Alternative, the DOE would operate SNL/NM at the minimum levels of activity necessary to maintain the capabilities to support the DOE mission in the near term. Under all of the alternatives, the affected environment is primarily within 50 miles (80 kilometers) of SNL/NM. Analyses indicate little difference in the environmental impacts among alternatives

Draft site-wide environmental impact statement for Sandia National Laboratories/New Mexico. Volume 2: Appendixes

International Nuclear Information System (INIS)

1999-04-01

The DOE proposes to continue operating the Sandia National Laboratories/New Mexico (SNL/NM) located in central New Mexico. The DOE has identified and assessed three alternatives for the operation of SNL/NM: (1) No Action, (2) Expanded Operations, and (3) Reduced Operations. In the No Action Alternative, the DOE would continue the historical mission support activities SNL/NM has conducted at planned operational levels. In the Expanded Operations Alternative, the DOE would operate SNL/NM at the highest reasonable levels of activity currently foreseeable. Under the Reduced Operations Alternative, the DOE would operate SNL/NM at the minimum levels of activity necessary to maintain the capabilities to support the DOE mission in the near term. Under all of the alternatives, the affected environment is primarily within 50 miles (80 kilometers) of SNL/NM. Analyses indicate little difference in the environmental impacts among alternatives. This volume contains Appendices A--H

Draft site-wide environmental impact statement for Sandia National Laboratories/New Mexico. Summary

International Nuclear Information System (INIS)

1999-04-01

The DOE proposes to continue operating the Sandia National Laboratories/New Mexico (SNL/NM) located in central New Mexico. The DOE has identified and assessed three alternatives for the operation of SNL/NM: (1) No Action, (2) Expanded Operations, and (3) Reduced Operations. In the No Action Alternative, the DOE would continue the historical mission support activities SNL/NM has conducted at planned operational levels. In the Expanded Operations Alternative, the DOE would operate SNL/NM at the highest reasonable levels of activity currently foreseeable. Under the Reduced Operations Alternative, the DOE would operate SNL/NM at the minimum levels of activity necessary to maintain the capabilities to support the DOE mission in the near term. Under all of the alternatives, the affected environment is primarily within 50 miles (80 kilometers) of SNL/NM. Analyses indicate little difference in the environmental impacts among alternatives

DARPA TRADES Annual Report.

Energy Technology Data Exchange (ETDEWEB)

Aguilo Valentin, Miguel Alejandro [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Trujillo, Susie [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)

2018-02-01

During calendar year 2017, Sandia National Laboratories (SNL) made strides towards developing an open portable design platform rich in highperformance computing (HPC) enabled modeling, analysis and synthesis tools. The main focus was to lay the foundations of the core interfaces that will enable plug-n-play insertion of synthesis optimization technologies in the areas of modeling, analysis and synthesis.

Computational methods to study the structure and dynamics of biomolecules and biomolecular processes from bioinformatics to molecular quantum mechanics

CERN Document Server

2014-01-01

Since the second half of the 20th century machine computations have played a critical role in science and engineering. Computer-based techniques have become especially important in molecular biology, since they often represent the only viable way to gain insights into the behavior of a biological system as a whole. The complexity of biological systems, which usually needs to be analyzed on different time- and size-scales and with different levels of accuracy, requires the application of different approaches, ranging from comparative analysis of sequences and structural databases, to the analysis of networks of interdependence between cell components and processes, through coarse-grained modeling to atomically detailed simulations, and finally to molecular quantum mechanics. This book provides a comprehensive overview of modern computer-based techniques for computing the structure, properties and dynamics of biomolecules and biomolecular processes. The twenty-two chapters, written by scientists from all over t...

Elucidating Mechanisms of Molecular Recognition Between Human Argonaute and miRNA Using Computational Approaches

KAUST Repository

Jiang, Hanlun

2016-12-06

MicroRNA (miRNA) and Argonaute (AGO) protein together form the RNA-induced silencing complex (RISC) that plays an essential role in the regulation of gene expression. Elucidating the underlying mechanism of AGO-miRNA recognition is thus of great importance not only for the in-depth understanding of miRNA function but also for inspiring new drugs targeting miRNAs. In this chapter we introduce a combined computational approach of molecular dynamics (MD) simulations, Markov state models (MSMs), and protein-RNA docking to investigate AGO-miRNA recognition. Constructed from MD simulations, MSMs can elucidate the conformational dynamics of AGO at biologically relevant timescales. Protein-RNA docking can then efficiently identify the AGO conformations that are geometrically accessible to miRNA. Using our recent work on human AGO2 as an example, we explain the rationale and the workflow of our method in details. This combined approach holds great promise to complement experiments in unraveling the mechanisms of molecular recognition between large, flexible, and complex biomolecules.

Elucidating Mechanisms of Molecular Recognition Between Human Argonaute and miRNA Using Computational Approaches.

Science.gov (United States)

Jiang, Hanlun; Zhu, Lizhe; Héliou, Amélie; Gao, Xin; Bernauer, Julie; Huang, Xuhui

2017-01-01

MicroRNA (miRNA) and Argonaute (AGO) protein together form the RNA-induced silencing complex (RISC) that plays an essential role in the regulation of gene expression. Elucidating the underlying mechanism of AGO-miRNA recognition is thus of great importance not only for the in-depth understanding of miRNA function but also for inspiring new drugs targeting miRNAs. In this chapter we introduce a combined computational approach of molecular dynamics (MD) simulations, Markov state models (MSMs), and protein-RNA docking to investigate AGO-miRNA recognition. Constructed from MD simulations, MSMs can elucidate the conformational dynamics of AGO at biologically relevant timescales. Protein-RNA docking can then efficiently identify the AGO conformations that are geometrically accessible to miRNA. Using our recent work on human AGO2 as an example, we explain the rationale and the workflow of our method in details. This combined approach holds great promise to complement experiments in unraveling the mechanisms of molecular recognition between large, flexible, and complex biomolecules.

Characterisation of bovine epiblast-derived outgrowth colonies

DEFF Research Database (Denmark)

Østrup, Esben; Gjørret, Jakob; Schauser, Kirsten Hallundbæk

2010-01-01

The aim of the present study was to characterise bovine epiblast-derived outgrowth colonies (OCs) with respect to the embryonic origin of their cellular components. Epiblasts were isolated mechanically from bovine Day 12 embryos. Epiblasts were cultured on feeder layers of SNL cells (neomycin...

A Preliminary Survey of Department of Energy Microelectronics Capabilities Related to Department of Defense Needs

Science.gov (United States)

1997-09-01

mechanisms but also chemical, thermal, mechanical, and, today, quantum behavior as well. Basic research is performed using several different strategies...lithography and advanced dry etching) that have enabled quantum electronic devices using nanometer-scale features for gates and air-bridged point...control systems for magnetically levitated stages of lithography equipment, and modal and vibrational analysis of lithography equipment. SNL is

Computer algebra applications

International Nuclear Information System (INIS)

Calmet, J.

1982-01-01

A survey of applications based either on fundamental algorithms in computer algebra or on the use of a computer algebra system is presented. Recent work in biology, chemistry, physics, mathematics and computer science is discussed. In particular, applications in high energy physics (quantum electrodynamics), celestial mechanics and general relativity are reviewed. (Auth.)

Computational Bench Testing to Evaluate the Short-Term Mechanical Performance of a Polymeric Stent.

Science.gov (United States)

Bobel, A C; Petisco, S; Sarasua, J R; Wang, W; McHugh, P E

2015-12-01

Over the last decade, there has been a significant volume of research focussed on the utilization of biodegradable polymers such as poly-L-lactide-acid (PLLA) for applications associated with cardiovascular disease. More specifically, there has been an emphasis on upgrading current clinical shortfalls experienced with conventional bare metal stents and drug eluting stents. One such approach, the adaption of fully formed polymeric stents has led to a small number of products being commercialized. Unfortunately, these products are still in their market infancy, meaning there is a clear non-occurrence of long term data which can support their mechanical performance in vivo. Moreover, the load carry capacity and other mechanical properties essential to a fully optimized polymeric stent are difficult, timely and costly to establish. With the aim of compiling rapid and representative performance data for specific stent geometries, materials and designs, in addition to reducing experimental timeframes, Computational bench testing via finite element analysis (FEA) offers itself as a very powerful tool. On this basis, the research presented in this paper is concentrated on the finite element simulation of the mechanical performance of PLLA, which is a fully biodegradable polymer, in the stent application, using a non-linear viscous material model. Three physical stent geometries, typically used for fully polymeric stents, are selected, and a comparative study is performed in relation to their short-term mechanical performance, with the aid of experimental data. From the simulated output results, an informed understanding can be established in relation to radial strength, flexibility and longitudinal resistance, that can be compared with conventional permanent metal stent functionality, and the results show that it is indeed possible to generate a PLLA stent with comparable and sufficient mechanical performance. The paper also demonstrates the attractiveness of FEA as a tool

Computational Modeling | Bioenergy | NREL

Science.gov (United States)

cell walls and are the source of biofuels and biomaterials. Our modeling investigates their properties . Quantum Mechanical Models NREL studies chemical and electronic properties and processes to reduce barriers Computational Modeling Computational Modeling NREL uses computational modeling to increase the

Reduced combustion mechanism for C1-C4 hydrocarbons and its application in computational fluid dynamics flare modeling.

Science.gov (United States)

Damodara, Vijaya; Chen, Daniel H; Lou, Helen H; Rasel, Kader M A; Richmond, Peyton; Wang, Anan; Li, Xianchang

2017-05-01

Emissions from flares constitute unburned hydrocarbons, carbon monoxide (CO), soot, and other partially burned and altered hydrocarbons along with carbon dioxide (CO 2 ) and water. Soot or visible smoke is of particular concern for flare operators/regulatory agencies. The goal of the study is to develop a computational fluid dynamics (CFD) model capable of predicting flare combustion efficiency (CE) and soot emission. Since detailed combustion mechanisms are too complicated for (CFD) application, a 50-species reduced mechanism, LU 3.0.1, was developed. LU 3.0.1 is capable of handling C 4 hydrocarbons and soot precursor species (C 2 H 2 , C 2 H 4 , C 6 H 6 ). The new reduced mechanism LU 3.0.1 was first validated against experimental performance indicators: laminar flame speed, adiabatic flame temperature, and ignition delay. Further, CFD simulations using LU 3.0.1 were run to predict soot emission and CE of air-assisted flare tests conducted in 2010 in Tulsa, Oklahoma, using ANSYS Fluent software. Results of non-premixed probability density function (PDF) model and eddy dissipation concept (EDC) model are discussed. It is also noteworthy that when used in conjunction with the EDC turbulence-chemistry model, LU 3.0.1 can reasonably predict volatile organic compound (VOC) emissions as well. A reduced combustion mechanism containing 50 C 1 -C 4 species and soot precursors has been developed and validated against experimental data. The combustion mechanism is then employed in the computational fluid dynamics (CFD) of modeling of soot emission and combustion efficiency (CE) of controlled flares for which experimental soot and CE data are available. The validated CFD modeling tools are useful for oil, gas, and chemical industries to comply with U.S. Environmental Protection Agency's (EPA) mandate to achieve smokeless flaring with a high CE.

Interpretation of stable isotope, denitrification, and groundwater age data for samples collected from Sandia National Laboratories /New Mexico (SNL/NM) Burn Site Groundwater Area of Concern

Energy Technology Data Exchange (ETDEWEB)

Madrid, V. [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States); Singleton, M. J. [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States); Visser, A. [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States); Esser, B. [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States)

2016-06-02

This report combines and summarizes results for two groundwater-sampling events (October 2012 and October/November 2015) from the Sandia National Laboratories/New Mexico (SNL/NM) Burn Site Groundwater (BSG) Area of Concern (AOC) located in the Lurance Canyon Arroyo southeast of Albuquerque, NM in the Manzanita Mountains. The first phase of groundwater sampling occurred in October 2012 including samples from 19 wells at three separate sites that were analyzed by the Environmental Radiochemistry Laboratory at Lawrence Livermore National Laboratory as part of a nitrate Monitored Natural Attenuation (MNA) evaluation. The three sites (BSG, Technical Area-V, and Tijeras Arroyo) are shown on the regional hydrogeologic map and described in the Sandia Annual Groundwater Monitoring Report. The first phase of groundwater sampling included six monitoring wells at the Burn Site, eight monitoring wells at Technical Area-V, and five monitoring wells at Tijeras Arroyo. Each groundwater sample was analyzed using the two specialized analytical methods, age-dating and denitrification suites. In September 2015, a second phase of groundwater sampling took place at the Burn Site including 10 wells sampled and analyzed by the same two analytical suites. Five of the six wells sampled in 2012 were resampled in 2015. This report summarizes results from two sampling events in order to evaluate evidence for in situ denitrification, the average age of the groundwater, and the extent of recent recharge of the bedrock fracture system beneath the BSG AOC.

Interpretation of stable isotope, denitrification, and groundwater age data for samples collected from Sandia National Laboratories /New Mexico (SNL/NM) Burn Site Groundwater Area of Concern

International Nuclear Information System (INIS)

Madrid, V.; Singleton, M. J.; Visser, A.; Esser, B.

2016-01-01

This report combines and summarizes results for two groundwater-sampling events (October 2012 and October/November 2015) from the Sandia National Laboratories/New Mexico (SNL/NM) Burn Site Groundwater (BSG) Area of Concern (AOC) located in the Lurance Canyon Arroyo southeast of Albuquerque, NM in the Manzanita Mountains. The first phase of groundwater sampling occurred in October 2012 including samples from 19 wells at three separate sites that were analyzed by the Environmental Radiochemistry Laboratory at Lawrence Livermore National Laboratory as part of a nitrate Monitored Natural Attenuation (MNA) evaluation. The three sites (BSG, Technical Area-V, and Tijeras Arroyo) are shown on the regional hydrogeologic map and described in the Sandia Annual Groundwater Monitoring Report. The first phase of groundwater sampling included six monitoring wells at the Burn Site, eight monitoring wells at Technical Area-V, and five monitoring wells at Tijeras Arroyo. Each groundwater sample was analyzed using the two specialized analytical methods, age-dating and denitrification suites. In September 2015, a second phase of groundwater sampling took place at the Burn Site including 10 wells sampled and analyzed by the same two analytical suites. Five of the six wells sampled in 2012 were resampled in 2015. This report summarizes results from two sampling events in order to evaluate evidence for in situ denitrification, the average age of the groundwater, and the extent of recent recharge of the bedrock fracture system beneath the BSG AOC.

Computational micromodel for epigenetic mechanisms.

LENUS (Irish Health Repository)

Raghavan, Karthika

2010-11-01

Characterization of the epigenetic profile of humans since the initial breakthrough on the human genome project has strongly established the key role of histone modifications and DNA methylation. These dynamic elements interact to determine the normal level of expression or methylation status of the constituent genes in the genome. Recently, considerable evidence has been put forward to demonstrate that environmental stress implicitly alters epigenetic patterns causing imbalance that can lead to cancer initiation. This chain of consequences has motivated attempts to computationally model the influence of histone modification and DNA methylation in gene expression and investigate their intrinsic interdependency. In this paper, we explore the relation between DNA methylation and transcription and characterize in detail the histone modifications for specific DNA methylation levels using a stochastic approach.

Pressurized Slot Testing to Determine Thermo-Mechanical Properties of Lithophysal Tuff at Yucca Mountain Nevada.

Energy Technology Data Exchange (ETDEWEB)

George, James T.; Sobolik, Steven R.; Lee, Moo Y.; Park, Byoung; Costin, Laurence

2018-05-01

The study described in this report involves heated and unheated pressurized slot testing to determine thermo-mechanical properties of the Tptpll (Tertiary, Paintbrush, Topopah Spring Tuff Formation, crystal poor, lower lithophysal) and Tptpul (upper lithophysal) lithostratigraphic units at Yucca Mountain, Nevada. A large volume fraction of the proposed repository at Yucca Mountain may reside in the Tptpll lithostratigraphic unit. This unit is characterized by voids, or lithophysae, which range in size from centimeters to meters, making a field program an effective method of measuring bulk thermal-mechanical rock properties (thermal expansion, rock mass modulus, compressive strength, time-dependent deformation) over a range of temperature and rock conditions. The field tests outlined in this report provide data for the determination of thermo-mechanical properties of this unit. Rock-mass response data collected during this field test will reduce the uncertainty in key thermal-mechanical modeling parameters (rock-mass modulus, strength and thermal expansion) for the Tptpll lithostratigraphic unit, and provide a basis for understanding thermal-mechanical behavior of this unit. The measurements will be used to evaluate numerical models of the thermal-mechanical response of the repository. These numerical models are then used to predict pre- and post-closure repository response. ACKNOWLEDGEMENTS The authors would like to thank David Bronowski, Ronnie Taylor, Ray E. Finley, Cliff Howard, Michael Schuhen (all SNL) and Fred Homuth (LANL) for their work in the planning and implementation of the tests described in this report. This is a reprint of SAND2004-2703, which was originally printed in July 2004. At that time, it was printed for a restricted audience. It has now been approved for unlimited release.

Organotin(IV complexes derived from N-ethyl-N-phenyldithiocarbamate: Synthesis, characterization and thermal studies

Directory of Open Access Journals (Sweden)

Jerry O. Adeyemi

2018-05-01

Full Text Available Organotin(IV dithiocarbamate complexes, RSnClL2 and R2SnL2 (R = Me, Bu, Ph, and L = N-ethyl-N-phenyldithiocarbamate, have been synthesized by the reaction of mono- and disubstituted organotin(IV with ammonium dithiocarbamate. The complexes were characterized by elemental analyses, and spectroscopic techniques (1H, 13C NMR and FTIR. The structures of Me2SnL2 and Bu2SnL2 were further established by single crystal X-ray diffraction technique. The crystal structure analysis showed that both complexes (Me2SnL2 and Bu2SnL2 exist as monomers. One of the dithiocarbamate ligands formed a chelate, while the other dithiocarbamate bonded to the central tin atom through one of the sulfur atoms and the second sulfur atom existed as a pendant to form distorted trigonal bipyramidal geometry. The thermal stability of all the complexes was studied using simultaneous thermogravimetry (TG and differential scanning calorimetry (DSC. The TG-DSC results showed that Me2SnL2, BuSnClL2, Bu2SnL2, and PhSnClL2 displayed similar decomposition pathway via isothiocyanate intermediate, while MeSnClL2 and Ph2SnL2 showed decomposition pathways different from the rest of the complexes. All the complexes resulted in SnS as the final product of the thermal decomposition process. Keywords: Organotin, Dithiocarbamate, Crystal structure, Thermal studies

Computers and data processing

CERN Document Server

Deitel, Harvey M

1985-01-01

Computers and Data Processing provides information pertinent to the advances in the computer field. This book covers a variety of topics, including the computer hardware, computer programs or software, and computer applications systems.Organized into five parts encompassing 19 chapters, this book begins with an overview of some of the fundamental computing concepts. This text then explores the evolution of modern computing systems from the earliest mechanical calculating devices to microchips. Other chapters consider how computers present their results and explain the storage and retrieval of

Study on Sintering Mechanism of Stainless Steel Fiber Felts by X-ray Computed Tomography

Directory of Open Access Journals (Sweden)

Jun Ma

2016-01-01

Full Text Available The microstructure evolution of Fe-17 wt. % Cr-12 wt. % Ni-2 wt. % Mo stainless steel fiber felts during the fast sintering process was investigated by the synchrotron radiation X-ray computed tomography technique. The equation of dynamics of stable inter-fiber neck growth was established for the first time based on the geometry model of sintering joints of two fibers and Kucsynski’s two-sphere model. The specific evolutions of different kinds of sintering joints were observed in the three-dimensional images. The sintering mechanisms during sintering were proposed as plastic flow and grain boundary diffusion, the former leading to a quick growth of sintering joints.

Environmental assessment of the Environmental Restoration Project at Sandia National Laboratories/New Mexico

Energy Technology Data Exchange (ETDEWEB)

NONE

1996-03-01

Sandia National Laboratories/New Mexico (SNL/NM) is managed and operated for the U.S. Department of Energy (DOE) by Sandia Corporation, a subsidiary of the Lockheed Martin Company. SNL/NM is located on land controlled by DOE within the boundaries of Kirtland Air Force Base (KAFB) in Albuquerque, New Mexico. The major responsibilities of SNL/NM are the support of national security and energy projects. This report provides an environmental assessment of proposed remedial action activities at the solid waste management units at SNL/NM. A risk assessment of health hazards is also discussed.

Proceedings of the 5. joint Russian-American computational mathematics conference

International Nuclear Information System (INIS)

1997-01-01

These proceedings contain a record of the talks presented and papers submitted by participants. The conference participants represented three institutions from the United States, Sandia National Laboratories (SNL), Los Alamos National Laboratory (LANL), Lawrence Livermore National Laboratory (LLNL), and two from Russia, Russian Federal Nuclear Center--All Russian Research Institute of Experimental Physics (RFNC-VNIIEF/Arzamas-16), and Russian Federal Nuclear Center--All Russian Research Institute of Technical Physics (RFNC-VNIITF/Chelyabinsk-70). The presentations and papers cover a wide range of applications from radiation transport to materials. Selected papers have been indexed separately for inclusion in the Energy Science and Technology Database

Proceedings of the 5. joint Russian-American computational mathematics conference

Energy Technology Data Exchange (ETDEWEB)

NONE

1997-12-31

These proceedings contain a record of the talks presented and papers submitted by participants. The conference participants represented three institutions from the United States, Sandia National Laboratories (SNL), Los Alamos National Laboratory (LANL), Lawrence Livermore National Laboratory (LLNL), and two from Russia, Russian Federal Nuclear Center--All Russian Research Institute of Experimental Physics (RFNC-VNIIEF/Arzamas-16), and Russian Federal Nuclear Center--All Russian Research Institute of Technical Physics (RFNC-VNIITF/Chelyabinsk-70). The presentations and papers cover a wide range of applications from radiation transport to materials. Selected papers have been indexed separately for inclusion in the Energy Science and Technology Database.

COMTA - a computer code for fuel mechanical and thermal analysis

International Nuclear Information System (INIS)

Basu, S.; Sawhney, S.S.; Anand, A.K.; Anantharaman, K.; Mehta, S.K.

1979-01-01

COMTA is a generalized computer code for integrity analysis of the free standing fuel cladding, with natural UO 2 or mixed oxide fuel pellets. Thermal and Mechanical analysis is done simultaneously for any power history of the fuel pin. For analysis, the fuel cladding is assumed to be axisymmetric and is subjected to axisymmetric load due to contact pressure, gas pressure, coolant pressure and thermal loads. Axial variation of load is neglected and creep and plasticity are assumed to occur at constant volume. The pellet is assumed to be made of concentric annuli. The fission gas release integral is dependent on the temperature and the power produced in each annulus. To calculate the temperature distribution in the fuel pin, the variation of bulk coolant temperature is given as an input to the code. Gap conductance is calculated at every time step, considering fuel densification, fuel relocation and gap closure, filler gas dilution by released fission gas, gap closure by expansion and irradiation swelling. Overall gap conductance is contributed by heat transfer due to the three modes; conduction convection and radiation as per modified Ross and Stoute model. Equilibrium equations, compatibility equations, stress strain relationships (including thermal strains and permanent strains due to creep and plasticity) are used to obtain triaxial stresses and strains. Thermal strain is assumed to be zero at hot zero power conditions. The boundary conditions are obtained for radial stresses at outside and inside surfaces by making these equal to coolant pressure and internal pressure respectively. A multi-mechanism creep model which accounts for thermal and irradiation creep is used to calculate the overall creep rate. Effective plastic strain is a function of effective stress and material constants. (orig.)

Sandia National Laboratories, California Environmental Management System Program Manual.

Energy Technology Data Exchange (ETDEWEB)

2009-04-01

The Sandia National Laboratories, California (SNL/CA) Environmental Management System (EMS) Program Manual documents the elements of the site EMS Program. The SNL/CA EMS Program conforms to the International Standard on Environmental Management Systems, ISO 14001:2004 and Department of Energy (DOE) Order 450.1. Sandia National Laboratories, California (SNL/CA) has maintained functional environmental programs to assist with regulatory compliance for more than 30 years. During 2005, these existing programs were rolled into a formal environmental management system (EMS) that expands beyond the traditional compliance focus to managing and improving environmental performance and stewardship practices for all site activities. An EMS is a set of inter-related elements that represent a continuing cycle of planning, implementing, evaluating, and improving processes and actions undertaken to achieve environmental policy and goals. The SNL/CA EMS Program conforms to the International Standard for Environmental Management Systems, ISO 14001:2004 (ISO 2004). The site received ISO 14001 certification in September 2006. SNL/CA's EMS Program is applicable to the Sandia, Livermore site only. Although SNL/CA operates as one organizational division of the overall Sandia National Laboratories, the EMS Program is site-specific, with site-specific objectives and targets. SNL/CA (Division 8000) benefits from the organizational structure as it provides corporate level policies, procedures, and standards, and established processes that connect to and support elements of the SNL/CA EMS Program. Additionally, SNL/CA's EMS Program benefits from two corporate functional programs (Facilities Energy Management and Fleet Services Environmental programs) that maintain responsibility for energy management and fleet services for all Sandia locations. Each EMS element is further enhanced with site-specific processes and standards. Division 8000 has several groups operating at Sandia

Sandia National Laboratories, California Environmental Management System program manual.

Energy Technology Data Exchange (ETDEWEB)

Larsen, Barbara L.

2012-03-01

The Sandia National Laboratories, California (SNL/CA) Environmental Management System (EMS) Program Manual documents the elements of the site EMS Program. The SNL/CA EMS Program conforms to the International Standard on Environmental Management Systems, ISO 14001:2004and Department of Energy (DOE) Order 436.1. Sandia National Laboratories, California (SNL/CA) has maintained functional environmental programs to assist with regulatory compliance for more than 30 years. During 2005, these existing programs were rolled into a formal environmental management system (EMS) that expands beyond the traditional compliance focus to managing and improving environmental performance and stewardship practices for all site activities. An EMS is a set of inter-related elements that represent a continuing cycle of planning, implementing, evaluating, and improving processes and actions undertaken to achieve environmental policy and goals. The SNL/CA EMS Program conforms to the International Standard for Environmental Management Systems, ISO 14001:2004 (ISO 2004). The site first received ISO 14001 certification in September 2006 and recertification in 2009. SNL/CA's EMS Program is applicable to the Sandia, Livermore site only. Although SNL/CA operates as one organizational division of the overall Sandia National Laboratories, the EMS Program is site-specific, with site-specific objectives and targets. SNL/CA (Division 8000) benefits from the organizational structure as it provides corporate level policies, procedures, and standards, and established processes that connect to and support elements of the SNL/CA EMS Program. Additionally, SNL/CA's EMS Program benefits from two corporate functional programs (Facilities Energy and Water Resource Management and Fleet Services programs) that maintain responsibility for energy management and fleet services for all Sandia locations. Each EMS element is further enhanced with site-specific processes and standards. Division 8000 has

Sandia National Laboratories, California Environmental Management System Program Manual.

Energy Technology Data Exchange (ETDEWEB)

Larsen, Barbara L.

2011-04-01

The Sandia National Laboratories, California (SNL/CA) Environmental Management System (EMS) Program Manual documents the elements of the site EMS Program. The SNL/CA EMS Program conforms to the International Standard on Environmental Management Systems, ISO 14001:2004and Department of Energy (DOE) Order 450.1. Sandia National Laboratories, California (SNL/CA) has maintained functional environmental programs to assist with regulatory compliance for more than 30 years. During 2005, these existing programs were rolled into a formal environmental management system (EMS) that expands beyond the traditional compliance focus to managing and improving environmental performance and stewardship practices for all site activities. An EMS is a set of inter-related elements that represent a continuing cycle of planning, implementing, evaluating, and improving processes and actions undertaken to achieve environmental policy and goals. The SNL/CA EMS Program conforms to the International Standard for Environmental Management Systems, ISO 14001:2004 (ISO 2004). The site received ISO 14001 certification in September 2006. SNL/CA's EMS Program is applicable to the Sandia, Livermore site only. Although SNL/CA operates as one organizational division of the overall Sandia National Laboratories, the EMS Program is site-specific, with site-specific objectives and targets. SNL/CA (Division 8000) benefits from the organizational structure as it provides corporate level policies, procedures, and standards, and established processes that connect to and support elements of the SNL/CA EMS Program. Additionally, SNL/CA's EMS Program benefits from two corporate functional programs (Facilities Energy Management and Fleet Services programs) that maintain responsibility for energy management and fleet services for all Sandia locations. Each EMS element is further enhanced with site-specific processes and standards. Division 8000 has several groups operating at Sandia National Laboratories

Computational Micromodel for Epigenetic Mechanisms

Science.gov (United States)

Raghavan, Karthika; Ruskin, Heather J.; Perrin, Dimitri; Goasmat, Francois; Burns, John

2010-01-01

Characterization of the epigenetic profile of humans since the initial breakthrough on the human genome project has strongly established the key role of histone modifications and DNA methylation. These dynamic elements interact to determine the normal level of expression or methylation status of the constituent genes in the genome. Recently, considerable evidence has been put forward to demonstrate that environmental stress implicitly alters epigenetic patterns causing imbalance that can lead to cancer initiation. This chain of consequences has motivated attempts to computationally model the influence of histone modification and DNA methylation in gene expression and investigate their intrinsic interdependency. In this paper, we explore the relation between DNA methylation and transcription and characterize in detail the histone modifications for specific DNA methylation levels using a stochastic approach. PMID:21152421

Software quality assurance in the 1996 performance assessment for the Waste Isolation Pilot Plant

International Nuclear Information System (INIS)

Froehlich, G.K.; Ogden, H.C.; Byle, K.A.

2000-01-01

The US Department of Energy (DOE) Waste Isolation Pilot Plant (WIPP), located in southeast New Mexico, is a deep geologic repository for the permanent disposal of transuranic waste generated by DOE defense-related activities. Sandia National Laboratories (SNL), in its role as scientific advisor to the DOE, is responsible for evaluating the long-term performance of the WIPP. This risk-based Performance Assessment (PA) is accomplished in part through the use of numerous scientific modeling codes, which rely for some of their inputs on data gathered during characterization of the site. The PA is subject to formal requirements set forth in federal regulations. In particular, the components of the calculation fall under the configuration management and software quality assurance aegis of the American Society of Mechanical Engineers (ASME) Nuclear Quality Assurance (NQA) requirements. This paper describes SNL's implementation of the NQA requirements regarding software quality assurance (SQA). The description of the implementation of SQA for a PA calculation addresses not only the interpretation of the NQA requirements, it also discusses roles, deliverables, and the resources necessary for effective implementation. Finally, examples are given which illustrate the effectiveness of SNL's SQA program, followed by a detailed discussion of lessons learned

Software quality assurance in the 1996 performance assessment for the Waste Isolation Pilot Plant

International Nuclear Information System (INIS)

Froehlich, Gary K.; Ogden, Harvey C.; Byle, Kathleen A.

2000-01-01

The US Department of Energy (DOE) Waste Isolation Pilot Plant (WIPP), located in southeast New Mexico, is a deep geologic repository for the permanent disposal of transuranic waste generated by DOE defense-related activities. Sandia National Laboratories (SNL), in its role as scientific advisor to the DOE, is responsible for evaluating the long-term performance of the WIPP. This risk-based Performance Assessment (PA) is accomplished in part through the use of numerous scientific modeling codes, which rely for some of their inputs on data gathered during characterization of the site. The PA is subject to formal requirements set forth in federal regulations. In particular, the components of the calculation fall under the configuration management and software quality assurance aegis of the American Society of Mechanical Engineers(ASME) Nuclear Quality Assurance (NQA) requirements. This paper describes SNL's implementation of the NQA requirements regarding software quality assurance (SQA). The description of the implementation of SQA for a PA calculation addresses not only the interpretation of the NQA requirements, it also discusses roles, deliverables, and the resources necessary for effective implementation. Finally, examples are given which illustrate the effectiveness of SNL's SQA program, followed by a detailed discussion of lessons learned

FRAPCON-3: A computer code for the calculation of steady-state, thermal-mechanical behavior of oxide fuel rods for high burnup

International Nuclear Information System (INIS)

Berna, G.A.; Beyer, G.A.; Davis, K.L.; Lanning, D.D.

1997-12-01

FRAPCON-3 is a FORTRAN IV computer code that calculates the steady-state response of light water reactor fuel rods during long-term burnup. The code calculates the temperature, pressure, and deformation of a fuel rod as functions of time-dependent fuel rod power and coolant boundary conditions. The phenomena modeled by the code include (1) heat conduction through the fuel and cladding, (2) cladding elastic and plastic deformation, (3) fuel-cladding mechanical interaction, (4) fission gas release, (5) fuel rod internal gas pressure, (6) heat transfer between fuel and cladding, (7) cladding oxidation, and (8) heat transfer from cladding to coolant. The code contains necessary material properties, water properties, and heat-transfer correlations. The codes' integral predictions of mechanical behavior have not been assessed against a data base, e.g., cladding strain or failure data. Therefore, it is recommended that the code not be used for analyses of cladding stress or strain. FRAPCON-3 is programmed for use on both mainframe computers and UNIX-based workstations such as DEC 5000 or SUN Sparcstation 10. It is also programmed for personal computers with FORTRAN compiler software and at least 8 to 10 megabytes of random access memory (RAM). The FRAPCON-3 code is designed to generate initial conditions for transient fuel rod analysis by the FRAPTRAN computer code (formerly named FRAP-T6)

Synthesis of radiolabelled aryl azides from diazonium salts: experimental and computational results permit the identification of the preferred mechanism.

Science.gov (United States)

Joshi, Sameer M; de Cózar, Abel; Gómez-Vallejo, Vanessa; Koziorowski, Jacek; Llop, Jordi; Cossío, Fernando P

2015-05-28

Experimental and computational studies on the formation of aryl azides from the corresponding diazonium salts support a stepwise mechanism via acyclic zwitterionic intermediates. The low energy barriers associated with both transition structures are compatible with very fast and efficient processes, thus making this method suitable for the chemical synthesis of radiolabelled aryl azides.

US NDC Modernization Iteration E2 Prototyping Report: OSD & PC Software Infrastructure

Energy Technology Data Exchange (ETDEWEB)

Prescott, Ryan [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Marger, Bernard L. [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Chiu, Ailsa [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)

2014-12-01

During the second iteration of the US NDC Modernization Elaboration phase (E2), the SNL US NDC Modernization project team completed follow-on COTS surveys & exploratory prototyping related to the Object Storage & Distribution (OSD) mechanism, and the processing control software infrastructure. This report summarizes the E2 prototyping work.

Computational and experimental fluid mechanics. Progress report no. 5 for period January 1. to December 31. 1996

Energy Technology Data Exchange (ETDEWEB)

NONE

1997-03-01

The general purpose of the program is the development of efficient algorithms, their implementation in codes of Computational Fluid Mechanics (CFD), and the experimental verification of these codes. Flows of both fundamental and applied nature will be investigated, including flows in industrial process equipment, about aerodynamics structures and ships, and flows over bed forms of importance for sediment transport. The experimental work will include the development of improved techniques, emphasizing optical methods. The objectives will be met through a coordinated experimental and theoretical/computational research program, organized in 7 specific projects: 1. CFD-methods and algorithms. 2. Spectral element simulation of ultrafiltration. 3. Turbulent swirling flows. 4. Near-wall models of turbulence. 5. Flow over bed forms. 6. Flow past ship hull. 7. Development of experimental techniques. (EG) 10 refs.

FRAPCON-2: A Computer Code for the Calculation of Steady State Thermal-Mechanical Behavior of Oxide Fuel Rods

Energy Technology Data Exchange (ETDEWEB)

Berna, G. A; Bohn, M. P.; Rausch, W. N.; Williford, R. E.; Lanning, D. D.

1981-01-01

FRAPCON-2 is a FORTRAN IV computer code that calculates the steady state response of light Mater reactor fuel rods during long-term burnup. The code calculates the temperature, pressure, deformation, and tai lure histories of a fuel rod as functions of time-dependent fuel rod power and coolant boundary conditions. The phenomena modeled by the code include (a) heat conduction through the fuel and cladding, (b) cladding elastic and plastic deformation, (c) fuel-cladding mechanical interaction, (d) fission gas release, (e} fuel rod internal gas pressure, (f) heat transfer between fuel and cladding, (g) cladding oxidation, and (h) heat transfer from cladding to coolant. The code contains necessary material properties, water properties, and heat transfer correlations. FRAPCON-2 is programmed for use on the CDC Cyber 175 and 176 computers. The FRAPCON-2 code Is designed to generate initial conditions for transient fuel rod analysis by either the FRAP-T6 computer code or the thermal-hydraulic code, RELAP4/MOD7 Version 2.

Integration of computational modeling with membrane transport studies reveals new insights into amino acid exchange transport mechanisms

Science.gov (United States)

Widdows, Kate L.; Panitchob, Nuttanont; Crocker, Ian P.; Please, Colin P.; Hanson, Mark A.; Sibley, Colin P.; Johnstone, Edward D.; Sengers, Bram G.; Lewis, Rohan M.; Glazier, Jocelyn D.

2015-01-01

Uptake of system L amino acid substrates into isolated placental plasma membrane vesicles in the absence of opposing side amino acid (zero-trans uptake) is incompatible with the concept of obligatory exchange, where influx of amino acid is coupled to efflux. We therefore hypothesized that system L amino acid exchange transporters are not fully obligatory and/or that amino acids are initially present inside the vesicles. To address this, we combined computational modeling with vesicle transport assays and transporter localization studies to investigate the mechanisms mediating [14C]l-serine (a system L substrate) transport into human placental microvillous plasma membrane (MVM) vesicles. The carrier model provided a quantitative framework to test the 2 hypotheses that l-serine transport occurs by either obligate exchange or nonobligate exchange coupled with facilitated transport (mixed transport model). The computational model could only account for experimental [14C]l-serine uptake data when the transporter was not exclusively in exchange mode, best described by the mixed transport model. MVM vesicle isolates contained endogenous amino acids allowing for potential contribution to zero-trans uptake. Both L-type amino acid transporter (LAT)1 and LAT2 subtypes of system L were distributed to MVM, with l-serine transport attributed to LAT2. These findings suggest that exchange transporters do not function exclusively as obligate exchangers.—Widdows, K. L., Panitchob, N., Crocker, I. P., Please, C. P., Hanson, M. A., Sibley, C. P., Johnstone, E. D., Sengers, B. G., Lewis, R. M., Glazier, J. D. Integration of computational modeling with membrane transport studies reveals new insights into amino acid exchange transport mechanisms. PMID:25761365

Computational consideration on advanced oxidation degradation of phenolic preservative, methylparaben, in water: mechanisms, kinetics, and toxicity assessments

Energy Technology Data Exchange (ETDEWEB)

Gao, Yanpeng [State Key Laboratory of Organic Geochemistry and Guangdong Key Laboratory of Environmental Resources Utilization and Protection, Guangzhou Institute of Geochemistry, Chinese Academy of Sciences, Guangzhou 510640 (China); University of Chinese Academy of Sciences, Beijing 100049 (China); An, Taicheng, E-mail: antc99@gig.ac.cn [State Key Laboratory of Organic Geochemistry and Guangdong Key Laboratory of Environmental Resources Utilization and Protection, Guangzhou Institute of Geochemistry, Chinese Academy of Sciences, Guangzhou 510640 (China); Fang, Hansun [State Key Laboratory of Organic Geochemistry and Guangdong Key Laboratory of Environmental Resources Utilization and Protection, Guangzhou Institute of Geochemistry, Chinese Academy of Sciences, Guangzhou 510640 (China); University of Chinese Academy of Sciences, Beijing 100049 (China); Ji, Yuemeng; Li, Guiying [State Key Laboratory of Organic Geochemistry and Guangdong Key Laboratory of Environmental Resources Utilization and Protection, Guangzhou Institute of Geochemistry, Chinese Academy of Sciences, Guangzhou 510640 (China)

2014-08-15

Graphical abstract: - Highlights: • Computational approach is effective to reveal the transformation mechanism of MPB. • MPB degradation was more dependent on the [{sup •} OH] than temperature during AOPs. • O{sub 2} could enhance MPB degradation, but more harmful products were formed. • The risks of MPB products in natural waters should be considered seriously. • The risks of MPB products can be overlooked in AOPs due to short half-time. - Abstract: Hydroxyl radicals ({sup •} OH) are strong oxidants that can degrade organic pollutants in advanced oxidation processes (AOPs). The mechanisms, kinetics, and toxicity assessment of the {sup •} OH-initiated oxidative degradation of the phenolic preservative, methylparaben (MPB), were systematically investigated using a computational approach, as the supplementary information for experimental data. Results showed that MPB can be initially attacked by {sup •} OH via OH-addition and H-abstraction routes. Among these routes, the {sup •} OH addition to the C atom at the ortho-position of phenolic hydroxyl group was the most significant route. However, the methyl-H-abstraction route also cannot be neglected. Further, the formed transient intermediates, OH-adduct ({sup •} MPB-OH{sub 1}) and dehydrogenated radical ({sup •} MPB(-H)α), could be easily transformed to several stable degradation products in the presence of O{sub 2} and {sup •} OH. To better understand the potential toxicity of MPB and its products to aquatic organisms, both acute and chronic toxicities were assessed computationally at three trophic levels. Both MPB and its products, particularly the OH-addition products, are harmful to aquatic organisms. Therefore, the application of AOPs to remove MPB should be carefully performed for safe water treatment.

Fracture mechanics

CERN Document Server

Perez, Nestor

2017-01-01

The second edition of this textbook includes a refined presentation of concepts in each chapter, additional examples; new problems and sections, such as conformal mapping and mechanical behavior of wood; while retaining all the features of the original book. The material included in this book is based upon the development of analytical and numerical procedures pertinent to particular fields of linear elastic fracture mechanics (LEFM) and plastic fracture mechanics (PFM), including mixed-mode-loading interaction. The mathematical approach undertaken herein is coupled with a brief review of several fracture theories available in cited references, along with many color images and figures. Dynamic fracture mechanics is included through the field of fatigue and Charpy impact testing. Explains computational and engineering approaches for solving crack-related problems using straightforward mathematics that facilitate comprehension of the physical meaning of crack growth processes; Expands computational understandin...

Level-1 Milestone 350 Definitions v1

Energy Technology Data Exchange (ETDEWEB)

Quinn, T

2006-11-17

operating system, parallel file system, and runtime environment. LLNL, LANL, and SNL share responsibility for the Purple user environment. Since LLNL is the host for Purple, LLNL has the greatest responsibility. LLNL will provide customer support for Purple to the tri-labs and as such has the lead for user documentation, negotiating the Purple usage model, mapping of the ASC computational environment requirements to the Purple environment, and demonstrating those requirements have been met. In addition, LLNL will demonstrate important capabilities of the computing environment including full functionality of visualization tools, file transport between Purple and remote site file systems, and the build environment for principle ASC codes. LANL and SNL are responsible for delivering unique capabilities in support of their users, porting important applications and libraries, and demonstrating remote capabilities. The key capabilities that LANL and SNL will test are user authorization and authentication, data transfer, file system, data management, and visualization. SNL and LANL should port and run in production mode a few key applications on a substantial number of Purple nodes.

Verifiably Truthful Mechanisms

DEFF Research Database (Denmark)

Branzei, Simina; Procaccia, Ariel D.

2015-01-01

the computational sense). Our approach involves three steps: (i) specifying the structure of mechanisms, (ii) constructing a verification algorithm, and (iii) measuring the quality of verifiably truthful mechanisms. We demonstrate this approach using a case study: approximate mechanism design without money...

SNL Abuse Testing Manual.

Energy Technology Data Exchange (ETDEWEB)

Orendorff, Christopher [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Lamb, Joshua [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Steele, Leigh Anna Marie [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)

2017-07-01

This report describes recommended abuse testing procedures for rechargeable energy storage systems (RESSs) for electric vehicles. This report serves as a revision to the FreedomCAR Electrical Energy Storage System Abuse Test Manual for Electric and Hybrid Electric Vehicle Applications (SAND2005-3123).

East-West paths to unconventional computing.

Science.gov (United States)

Adamatzky, Andrew; Akl, Selim; Burgin, Mark; Calude, Cristian S; Costa, José Félix; Dehshibi, Mohammad Mahdi; Gunji, Yukio-Pegio; Konkoli, Zoran; MacLennan, Bruce; Marchal, Bruno; Margenstern, Maurice; Martínez, Genaro J; Mayne, Richard; Morita, Kenichi; Schumann, Andrew; Sergeyev, Yaroslav D; Sirakoulis, Georgios Ch; Stepney, Susan; Svozil, Karl; Zenil, Hector

2017-12-01

Unconventional computing is about breaking boundaries in thinking, acting and computing. Typical topics of this non-typical field include, but are not limited to physics of computation, non-classical logics, new complexity measures, novel hardware, mechanical, chemical and quantum computing. Unconventional computing encourages a new style of thinking while practical applications are obtained from uncovering and exploiting principles and mechanisms of information processing in and functional properties of, physical, chemical and living systems; in particular, efficient algorithms are developed, (almost) optimal architectures are designed and working prototypes of future computing devices are manufactured. This article includes idiosyncratic accounts of 'unconventional computing' scientists reflecting on their personal experiences, what attracted them to the field, their inspirations and discoveries. Copyright © 2017 Elsevier Ltd. All rights reserved.

Quantum computing from the ground up

CERN Document Server

Perry, Riley Tipton

2012-01-01

Quantum computing - the application of quantum mechanics to information - represents a fundamental break from classical information and promises to dramatically increase a computer's power. Many difficult problems, such as the factorization of large numbers, have so far resisted attack by classical computers yet are easily solved with quantum computers. If they become feasible, quantum computers will end standard practices such as RSA encryption. Most of the books or papers on quantum computing require (or assume) prior knowledge of certain areas such as linear algebra or quantum mechanics. The majority of the currently-available literature is hard to understand for the average computer enthusiast or interested layman. This text attempts to teach quantum computing from the ground up in an easily readable way, providing a comprehensive tutorial that includes all the necessary mathematics, computer science and physics.

Cloud security mechanisms

OpenAIRE

2014-01-01

Cloud computing has brought great benefits in cost and flexibility for provisioning services. The greatest challenge of cloud computing remains however the question of security. The current standard tools in access control mechanisms and cryptography can only partly solve the security challenges of cloud infrastructures. In the recent years of research in security and cryptography, novel mechanisms, protocols and algorithms have emerged that offer new ways to create secure services atop cloud...

Using Computational and Mechanical Models to Study Animal Locomotion

OpenAIRE

Miller, Laura A.; Goldman, Daniel I.; Hedrick, Tyson L.; Tytell, Eric D.; Wang, Z. Jane; Yen, Jeannette; Alben, Silas

2012-01-01

Recent advances in computational methods have made realistic large-scale simulations of animal locomotion possible. This has resulted in numerous mathematical and computational studies of animal movement through fluids and over substrates with the purpose of better understanding organisms’ performance and improving the design of vehicles moving through air and water and on land. This work has also motivated the development of improved numerical methods and modeling techniques for animal locom...

A review of Green's function methods in computational fluid mechanics: Background, recent developments and future directions

International Nuclear Information System (INIS)

Dorning, J.

1981-01-01

The research and development over the past eight years on local Green's function methods for the high-accuracy, high-efficiency numerical solution of nuclear engineering problems is reviewed. The basic concepts and key ideas are presented by starting with an expository review of the original fully two-dimensional local Green's function methods developed for neutron diffusion and heat conduction, and continuing through the progressively more complicated and more efficient nodal Green's function methods for neutron diffusion, heat conduction and neutron transport to establish the background for the recent development of Green's function methods in computational fluid mechanics. Some of the impressive numerical results obtained via these classes of methods for nuclear engineering problems are briefly summarized. Finally, speculations are proffered on future directions in which the development of these types of methods in fluid mechanics and other areas might lead. (orig.) [de

Service Composition issues in Pervasive Computing

DEFF Research Database (Denmark)

Brønsted, Jeppe Rørbæk; Hansen, Klaus Marius; Ingstrup, Mads

2010-01-01

Providing new services by combining existing ones—or service composition—is an idea pervading pervasive computing. Pervasive computing technologies seek to concurrently exhibit context awareness, manage contingencies, leverage device heterogeneity, and empower users. These four goals prompt service......-composition-mechanism design requirements that are unique to pervasive computing. This article catalogs service composition mechanisms and describes their variation points, which indicate how well the resulting compositions meet the four goals....

Computational study on the behaviors of granular materials under mechanical cycling

International Nuclear Information System (INIS)

Wang, Xiaoliang; Ye, Minyou; Chen, Hongli

2015-01-01

Considering that fusion pebble beds are probably subjected to the cyclic compression excitation in their future applications, we presented a computational study to report the effect of mechanical cycling on the behaviors of granular matter. The correctness of our numerical experiments was confirmed by a comparison with the effective medium theory. Under the cyclic loads, the fast granular compaction was observed to evolve in a stretched exponential law. Besides, the increasing stiffening in packing structure, especially the decreasing moduli pressure dependence due to granular consolidation, was also observed. For the force chains inside the pebble beds, both the internal force distribution and the spatial distribution of force chains would become increasingly uniform as the external force perturbation proceeded and therefore produced the stress relief on grains. In this case, the originally proposed 3-parameter Mueth function was found to fail to describe the internal force distribution. Thereby, its improved functional form with 4 parameters was proposed here and proved to better fit the data. These findings will provide more detailed information on the pebble beds for the relevant fusion design and analysis

Computational simulation of weld microstructure and distortion by considering process mechanics

Science.gov (United States)

Mochizuki, M.; Mikami, Y.; Okano, S.; Itoh, S.

2009-05-01

Highly precise fabrication of welded materials is in great demand, and so microstructure and distortion controls are essential. Furthermore, consideration of process mechanics is important for intelligent fabrication. In this study, the microstructure and hardness distribution in multi-pass weld metal are evaluated by computational simulations under the conditions of multiple heat cycles and phase transformation. Because conventional CCT diagrams of weld metal are not available even for single-pass weld metal, new diagrams for multi-pass weld metals are created. The weld microstructure and hardness distribution are precisely predicted when using the created CCT diagram for multi-pass weld metal and calculating the weld thermal cycle. Weld distortion is also investigated by using numerical simulation with a thermal elastic-plastic analysis. In conventional evaluations of weld distortion, the average heat input has been used as the dominant parameter; however, it is difficult to consider the effect of molten pool configurations on weld distortion based only on the heat input. Thus, the effect of welding process conditions on weld distortion is studied by considering molten pool configurations, determined by temperature distribution and history.

Sandia National Laboratories Facilities Management and Operations Center Design Standards Manual

Energy Technology Data Exchange (ETDEWEB)

Peterson, Timothy L. [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)

2014-09-01

protection, mechanical, electrical, telecommunications, and security features is expected to ensure compatibility with planned functional equipment and to facilitate constructability. If portions of the design are subcontracted to specialists, delivery of the finished design documents must not be considered complete until the subcontracted portions are also submitted for review. You must, along with support consultants, perform functional analyses and programming in developing design solutions. These solutions must reflect coordination of the competing functional, budgetary, and physical requirements for the project. During design phases, meetings between you and the SNL/NM Project Team to discuss and resolve design issues are required. These meetings are a normal part of the design process. For specific design-review requirements, see the project-specific Design Criteria. In addition to the design requirements described in this manual, instructive information is provided to explain the sustainable building practice goals for design, construction, operation, and maintenance of SNL/NM facilities. Please notify SNL/NM personnel of design best practices not included in this manual, so they can be incorporated in future updates. You must convey all documents describing work to the SNL/NM Project Manager in both hard copy and in an electronic format compatible with the SNL/NM-prescribed CADD and other software packages, and in accordance with a SNL/NM approved standard format. Print all hard copy versions of submitted documents (excluding drawings and renderings) double-sided when practical.

Environmental assessment for Sandia National Laboratories/New Mexico offsite transportation of low-level radioactive waste

International Nuclear Information System (INIS)

1996-09-01

Sandia National Laboratories, New Mexico (SNL/NM) is managed and operated by Sandia Corporation, a Lockheed Martin Company. SNL/NM is located on land owned by the U.S. Department of Energy (DOE) within the boundaries of the Kirtland Air Force Base (KAFB) in Albuquerque, New Mexico. The major responsibilities of SNL/NM are the support of national security and energy projects. Low-level radioactive waste (LLW) is generated by some of the activities performed at SNL/NM in support of the DOE. This report describes potential environmental effects of the shipments of low-level radioactive wastes to other sites

Applied mechanics of solids

CERN Document Server

Bower, Allan F

2009-01-01

Modern computer simulations make stress analysis easy. As they continue to replace classical mathematical methods of analysis, these software programs require users to have a solid understanding of the fundamental principles on which they are based. Develop Intuitive Ability to Identify and Avoid Physically Meaningless Predictions Applied Mechanics of Solids is a powerful tool for understanding how to take advantage of these revolutionary computer advances in the field of solid mechanics. Beginning with a description of the physical and mathematical laws that govern deformation in solids, the text presents modern constitutive equations, as well as analytical and computational methods of stress analysis and fracture mechanics. It also addresses the nonlinear theory of deformable rods, membranes, plates, and shells, and solutions to important boundary and initial value problems in solid mechanics. The author uses the step-by-step manner of a blackboard lecture to explain problem solving methods, often providing...

Engineering quantum mechanics

CERN Document Server

Ahn, Doyeol

2011-01-01

A clear introduction to quantum mechanics concepts Quantum mechanics has become an essential tool for modern engineering, particularly due to the recent developments in quantum computing as well as the rapid progress in optoelectronic devices. Engineering Quantum Mechanics explains the fundamentals of this exciting field, providing broad coverage of both traditional areas such as semiconductor and laser physics as well as relatively new yet fast-growing areas such as quantum computation and quantum information technology. The book begins with basic quantum mechanics, reviewing measurements and probability, Dirac formulation, the uncertainty principle, harmonic oscillator, angular momentum eigenstates, and perturbation theory. Then, quantum statistical mechanics is explored, from second quantization and density operators to coherent and squeezed states, coherent interactions between atoms and fields, and the Jaynes-Cummings model. From there, the book moves into elementary and modern applications, discussing s...

Bacterial computing: a form of natural computing and its applications.

Science.gov (United States)

Lahoz-Beltra, Rafael; Navarro, Jorge; Marijuán, Pedro C

2014-01-01

The capability to establish adaptive relationships with the environment is an essential characteristic of living cells. Both bacterial computing and bacterial intelligence are two general traits manifested along adaptive behaviors that respond to surrounding environmental conditions. These two traits have generated a variety of theoretical and applied approaches. Since the different systems of bacterial signaling and the different ways of genetic change are better known and more carefully explored, the whole adaptive possibilities of bacteria may be studied under new angles. For instance, there appear instances of molecular "learning" along the mechanisms of evolution. More in concrete, and looking specifically at the time dimension, the bacterial mechanisms of learning and evolution appear as two different and related mechanisms for adaptation to the environment; in somatic time the former and in evolutionary time the latter. In the present chapter it will be reviewed the possible application of both kinds of mechanisms to prokaryotic molecular computing schemes as well as to the solution of real world problems.

Use of multidetector-row computed tomography scan to detect pannus formation in prosthetic mechanical aortic valves.

Science.gov (United States)

Aladmawi, Mohamed A; Pragliola, Claudio; Vriz, Olga; Galzerano, Domenico

2017-04-01

Obstruction of a mechanical aortic valve by pannus formation at the subvalvular level is a major long-term complication of aortic valve replacement (AVR). In fact, pannus is sometime difficult to differentiate from patient-prosthesis mismatch or valve thrombosis. In most cases cine-angiography and echocardiography, either transthoracic or transesophageal, cannot correctly visualize the complication when the leaflets show a normal mobility. Recent technological refinements made this difficult diagnosis possible by ECG-gated computed tomography (CT) scan which shows adequate images in 90% of the cases and can differentiate pannus from fresh and organized thrombus.

COMPUTER GAMES AND EDUCATION

OpenAIRE

Sukhov, Anton

2018-01-01

This paper devoted to the research of educational resources and possibilities of modern computer games. The “internal” educational aspects of computer games include educational mechanism (a separate or integrated “tutorial”) and representation of a real or even fantastic educational process within virtual worlds. The “external” dimension represents educational opportunities of computer games for personal and professional development in different genres of computer games (various transport, so...

The Efficient Use of Vector Computers with Emphasis on Computational Fluid Dynamics : a GAMM-Workshop

CERN Document Server

Gentzsch, Wolfgang

1986-01-01

The GAMM Committee for Numerical Methods in Fluid Mechanics organizes workshops which should bring together experts of a narrow field of computational fluid dynamics (CFD) to exchange ideas and experiences in order to speed-up the development in this field. In this sense it was suggested that a workshop should treat the solution of CFD problems on vector computers. Thus we organized a workshop with the title "The efficient use of vector computers with emphasis on computational fluid dynamics". The workshop took place at the Computing Centre of the University of Karlsruhe, March 13-15,1985. The participation had been restricted to 22 people of 7 countries. 18 papers have been presented. In the announcement of the workshop we wrote: "Fluid mechanics has actively stimulated the development of superfast vector computers like the CRAY's or CYBER 205. Now these computers on their turn stimulate the development of new algorithms which result in a high degree of vectorization (sca1ar/vectorized execution-time). But w...

Basic design of parallel computational program for probabilistic structural analysis

International Nuclear Information System (INIS)

Kaji, Yoshiyuki; Arai, Taketoshi; Gu, Wenwei; Nakamura, Hitoshi

1999-06-01

In our laboratory, for 'development of damage evaluation method of structural brittle materials by microscopic fracture mechanics and probabilistic theory' (nuclear computational science cross-over research) we examine computational method related to super parallel computation system which is coupled with material strength theory based on microscopic fracture mechanics for latent cracks and continuum structural model to develop new structural reliability evaluation methods for ceramic structures. This technical report is the review results regarding probabilistic structural mechanics theory, basic terms of formula and program methods of parallel computation which are related to principal terms in basic design of computational mechanics program. (author)

Basic design of parallel computational program for probabilistic structural analysis

Energy Technology Data Exchange (ETDEWEB)

Kaji, Yoshiyuki; Arai, Taketoshi [Japan Atomic Energy Research Inst., Tokai, Ibaraki (Japan). Tokai Research Establishment; Gu, Wenwei; Nakamura, Hitoshi

1999-06-01

In our laboratory, for `development of damage evaluation method of structural brittle materials by microscopic fracture mechanics and probabilistic theory` (nuclear computational science cross-over research) we examine computational method related to super parallel computation system which is coupled with material strength theory based on microscopic fracture mechanics for latent cracks and continuum structural model to develop new structural reliability evaluation methods for ceramic structures. This technical report is the review results regarding probabilistic structural mechanics theory, basic terms of formula and program methods of parallel computation which are related to principal terms in basic design of computational mechanics program. (author)

A criterion based on computational singular perturbation for the identification of quasi steady state species: A reduced mechanism for methane oxidation with NO chemistry

Energy Technology Data Exchange (ETDEWEB)

Lu, Tianfeng; Law, Chung K. [Department of Mechanical and Aerospace Engineering, Princeton University, Princeton, NJ 08544 (United States)

2008-09-15

A criterion based on computational singular perturbation (CSP) is proposed to effectively distinguish the quasi steady state (QSS) species from the fast species induced by reactions in partial equilibrium. Together with the method of directed relation graph (DRG), it was applied to the reduction of GRI-Mech 3.0 for methane oxidation, leading to the development of a 19-species reduced mechanism with 15 lumped steps, with the concentrations of the QSS species solved analytically for maximum computational efficiency. Compared to the 12-step and 16-species augmented reduced mechanism (ARM) previously developed by Sung, Law and Chen, three species, namely O, CH{sub 3}OH, and CH{sub 2}CO, are now excluded from the QSS species list. The reduced mechanism was validated with a variety of phenomena including perfectly stirred reactors, auto-ignition, and premixed and non-premixed flames, with the worst-case error being less than 10% over a wide range of parameters. This mechanism was then supplemented with the reactions involving NO formation, followed by validations in both homogeneous and diffusive systems. (author)

Evaluating the Amount of Tooth Movement and Root Resorption during Canine Retraction with Friction versus Frictionless Mechanics Using Cone Beam Computed Tomography.

Science.gov (United States)

Makhlouf, Mohamed; Aboul-Ezz, Amr; Fayed, Mona Salah; Hafez, Hend

2018-02-15

The current study was carried out to compare the amount of tooth movement during canine retraction comparing two different retraction mechanics; friction mechanics represented by a NiTi closed coil spring versus frictionless mechanics represented by T - loop, and their effect on root resorption using Cone Beam Computed Tomography (CBCT). Ten patients were selected in a split-mouth study design that had a malocclusion that necessitates the extraction of maxillary first premolars and retraction of maxillary canines. The right maxillary canines were retracted using T - loops fabricated from 0.017 X 0.025 TMA wires. The left maxillary canines received NiTi coil spring with 150 gm of retraction force. Pre retraction and post retraction Cone Beam Computed Tomography were taken to evaluate the amount of tooth movement and root resorption using three-dimensional planes. T - loop side showed statistically significant higher mean anteroposterior measurement than NiTi coil spring side, indicating a lower amount of canine movement pre and post a canine retraction. Concerning the root resorption, there was no statistically significant change in the mean measurements of canine root length post retraction. The NiTi coil spring side showed more distal movement more than the T-loop side. Both retraction mechanics with controlled retraction force, do not cause root resorption.

Quantum Analog Computing

Science.gov (United States)

Zak, M.

1998-01-01

Quantum analog computing is based upon similarity between mathematical formalism of quantum mechanics and phenomena to be computed. It exploits a dynamical convergence of several competing phenomena to an attractor which can represent an externum of a function, an image, a solution to a system of ODE, or a stochastic process.

NORIA-SP: A finite element computer program for analyzing liquid water transport in porous media

International Nuclear Information System (INIS)

Hopkins, P.L.; Eaton, R.R.; Bixler, N.E.

1991-12-01

A family of finite element computer programs has been developed at Sandia National Laboratories (SNL) most recently, NORIA-SP. The original NORIA code solves a total of four transport equations simultaneously: liquid water, water vapor, air, and energy. Consequently, use of NORIA is computer-intensive. Since many of the applications for which NORIA is used are isothermal, we decided to ''strip'' the original four-equation version, leaving only the liquid water equation. This single-phase version is NORIA-SP. The primary intent of this document is to provide the user of NORIA-SP an accurate user's manual. Consequently, the reader should refer to the NORIA manual if additional detail is required regarding the equation development and finite element methods used. The single-equation version of the NORIA code (NORIA-SP) has been used most frequently for analyzing various hydrological scenarios for the potential underground nuclear waste repository at Yucca Mountain in western Nevada. These analyses are generally performed assuming a composite model to represent the fractured geologic media. In this model the material characteristics of the matrix and the fractures are area weighted to obtain equivalent material properties. Pressure equilibrium between the matrix and fractures is assumed so a single conservation equation can be solved. NORIA-SP is structured to accommodate the composite model. The equations for water velocities in both the rock matrix and the fractures are presented. To use the code for problems involving a single, nonfractured porous material, the user can simply set the area of the fractures to zero

Foundations of Quantum Mechanics and Quantum Computation

Science.gov (United States)

Aspect, Alain; Leggett, Anthony; Preskill, John; Durt, Thomas; Pironio, Stefano

2013-03-01

I ask the question: What can we infer about the nature and structure of the physical world (a) from experiments already done to test the predictions of quantum mechanics (b) from the assumption that all future experiments will agree with those predictions? I discuss existing and projected experiments related to the two classic paradoxes of quantum mechanics, named respectively for EPR and Schrödinger's Cat, and show in particular that one natural conclusion from both types of experiment implies the abandonment of the concept of macroscopic counterfactual definiteness.

Review of quantum computation

International Nuclear Information System (INIS)

Lloyd, S.

1992-01-01

Digital computers are machines that can be programmed to perform logical and arithmetical operations. Contemporary digital computers are ''universal,'' in the sense that a program that runs on one computer can, if properly compiled, run on any other computer that has access to enough memory space and time. Any one universal computer can simulate the operation of any other; and the set of tasks that any such machine can perform is common to all universal machines. Since Bennett's discovery that computation can be carried out in a non-dissipative fashion, a number of Hamiltonian quantum-mechanical systems have been proposed whose time-evolutions over discrete intervals are equivalent to those of specific universal computers. The first quantum-mechanical treatment of computers was given by Benioff, who exhibited a Hamiltonian system with a basis whose members corresponded to the logical states of a Turing machine. In order to make the Hamiltonian local, in the sense that its structure depended only on the part of the computation being performed at that time, Benioff found it necessary to make the Hamiltonian time-dependent. Feynman discovered a way to make the computational Hamiltonian both local and time-independent by incorporating the direction of computation in the initial condition. In Feynman's quantum computer, the program is a carefully prepared wave packet that propagates through different computational states. Deutsch presented a quantum computer that exploits the possibility of existing in a superposition of computational states to perform tasks that a classical computer cannot, such as generating purely random numbers, and carrying out superpositions of computations as a method of parallel processing. In this paper, we show that such computers, by virtue of their common function, possess a common form for their quantum dynamics

Mechanical engineering education

CERN Document Server

Davim, J Paulo

2012-01-01

Mechanical Engineering is defined nowadays as a discipline "which involves the application of principles of physics, design, manufacturing and maintenance of mechanical systems". Recently, mechanical engineering has also focused on some cutting-edge subjects such as nanomechanics and nanotechnology, mechatronics and robotics, computational mechanics, biomechanics, alternative energies, as well as aspects related to sustainable mechanical engineering.This book covers mechanical engineering higher education with a particular emphasis on quality assurance and the improvement of academic

Computational problems in engineering

CERN Document Server

Mladenov, Valeri

2014-01-01

This book provides readers with modern computational techniques for solving variety of problems from electrical, mechanical, civil and chemical engineering. Mathematical methods are presented in a unified manner, so they can be applied consistently to problems in applied electromagnetics, strength of materials, fluid mechanics, heat and mass transfer, environmental engineering, biomedical engineering, signal processing, automatic control and more.   • Features contributions from distinguished researchers on significant aspects of current numerical methods and computational mathematics; • Presents actual results and innovative methods that provide numerical solutions, while minimizing computing times; • Includes new and advanced methods and modern variations of known techniques that can solve difficult scientific problems efficiently.  

Molecular models of zinc phthalocyanines: semi-empirical molecular orbital computations and physicochemical properties studied by molecular mechanics simulations

International Nuclear Information System (INIS)

Gantchev, Tsvetan G.; van Lier, Johan E.; Hunting, Darel J.

2005-01-01

To build 3D-molecular models of Zinc-phthalocyanines (ZnPc) and to study their diverse chemical and photosensitization properties, we performed quantum mechanical molecular orbital (MO) semi-empirical (AM1) computations of the ground, excited singlet and triplet states as well as free radical (ionic) species. RHF and UHF (open shell) geometry optimizations led to near-perfect symmetrical ZnPc. Predicted ionization potentials (IP), electron affinities (EA) and lowest electronic transitions of ZnPc are in good agreement with the published experimental and theoretical data. The computation-derived D 4h /D 2h -symmetry 3D-structures of ground and excited states and free radicals of ZnPc, together with the frontier orbital energies and Mulliken electron population analysis enabled us to build robust molecular models. These models were used to predict important chemical-reactivity entities such as global electronegativity (χ), hardness (η) and local softness based on Fukui-functions analysis. Examples of molecular mechanics (MM) applications of the 3D-molecular models are presented as approaches to evaluate solvation free energy (ΔG 0 ) solv and to estimate ground- and excited- state oxidation/reduction potentials as well as intermolecular interactions and stability of ground and excited state dimers (exciplexes) and radical ion-pairs

Environmental protection implementation plan

International Nuclear Information System (INIS)

Holland, R.C.

1998-03-01

This Environmental Protection Implementation Plan is intended to ensure that the environmental program objectives of Department of Energy Order 5400.1 are achieved at SNL/California. This document states SNL/California's commitment to conduct its operations in an environmentally safe and responsible manner. The Environmental Protection Implementation Plan helps management and staff comply with applicable environmental responsibilities. SNL is committed to operating in full compliance with the letter and spirit of applicable environmental laws, regulations, and standards. Furthermore, SNL/California strives to go beyond compliance with legal requirements by making every effort practical to reduce impacts to the environment to levels as low as reasonably achievable

Recovery and recycling of aluminum, copper, and precious metals from dismantled weapon components

International Nuclear Information System (INIS)

Gundiler, I.H.; Lutz, J.D.; Wheelis, W.T.

1994-01-01

Sandia National Laboratories (SNL) is tasked to support The Department of Energy in the dismantlement and disposal of SNL designed weapon components. These components are sealed in a potting compound, and contain heavy metals, explosive, radioactive, and toxic materials. SNL developed a process to identify and remove the hazardous sub-components utilizing real-time radiography and abrasive water-jet cutting. The components were then crushed, granulated, screened, and separated into an aluminum and a precious-and-base-metals fraction using air-tables. Plastics were further cleaned for disposal as non-hazardous waste. New Mexico Bureau of Mines and Mineral Resources assisted SNL in investigation of size-reduction and separation technologies

Performance of an island seismic station for recording T-phases

Energy Technology Data Exchange (ETDEWEB)

Hanson, J. A., LLNL

1998-05-01

As part of the International Monitoring System (IMS) a worldwide hydroacoustic network consisting of 6 hydrophone and 5 island seismic stations has been planned which will monitor for underwater or low altitude atmospheric explosions. Data from this network is to be integrated with other IMS networks monitoring the Comprehensive Nuclear Test-Ban Treaty. The seismic (T-phase) stations are significantly less sensitive than hydrophones to ocean borne acoustic waves. T-phase signal strength at seismic stations depends on the amplitude of the signal in the water column, the hydroacoustic-seismic conversion efficiency, and loss on the seismic portion of the path through the island. In order to understand how these factors influence the performance of T-phase stations seismic and hydroacoustic data are examined from instruments currently deployed on or around Ascension Island in the South Atlantic Ocean. T-phase recordings for the last 3 years have been collected from the GSN seismic station ASCN on Ascension Island. Surrounding the island are 5 hydrophones which are part of the U.S. Air Force Missile Impact Locating System (MILS). Data from this system have been obtained for some of the events observed at ASCN. Four of the hydrophones are located within 30 km of the coast while the fifth instrument is 100 km to the south. Amplitude spectral estimates of the signal-to-noise levels (SNL) are computed and generally peak between 3 and 8 Hz for both the seismometer and hydrophone data. The seismic SNL generally decays to 1 between 10 and 15 Hz while the hydrophone SNL is still large well above 20 Hz. The ratios of the hydrophone-to-seismometer SNL, at their peak in energy, range between 10 and 100 (20-40 dB) unless a hydrophone is partially blocked by the Ascension Island landmass.

Sandia National Laboratories, California Environmental Monitoring Program annual report for 2011.

Energy Technology Data Exchange (ETDEWEB)

Holland, Robert C.

2011-03-01

The annual program report provides detailed information about all aspects of the SNL/California Environmental Monitoring Program. It functions as supporting documentation to the SNL/California Environmental Management System Program Manual. The 2010 program report describes the activities undertaken during the previous year, and activities planned in future years to implement the Environmental Monitoring Program, one of six programs that supports environmental management at SNL/California.

Benchmarking survey for recycling.

Energy Technology Data Exchange (ETDEWEB)

Marley, Margie Charlotte; Mizner, Jack Harry

2005-06-01

This report describes the methodology, analysis and conclusions of a comparison survey of recycling programs at ten Department of Energy sites including Sandia National Laboratories/New Mexico (SNL/NM). The goal of the survey was to compare SNL/NM's recycling performance with that of other federal facilities, and to identify activities and programs that could be implemented at SNL/NM to improve recycling performance.

Sandia National Laboratories, California Air Quality Program annual report.

Energy Technology Data Exchange (ETDEWEB)

Gardizi, Leslee P.; Smith, Richard (ERM, Walnut Creek, CA)

2009-06-01

The annual program report provides detailed information about all aspects of the SNL/CA Air Quality Program. It functions as supporting documentation to the SNL/CA Environmental Management System Program Manual. The program report describes the activities undertaken during the past year, and activities planned in future years to implement the Air Quality Program, one of six programs that supports environmental management at SNL/CA.

Ab initio computational study of reaction mechanism of peptide bond formation on HF/6-31G(d,p) level

Science.gov (United States)

Siahaan, P.; Lalita, M. N. T.; Cahyono, B.; Laksitorini, M. D.; Hildayani, S. Z.

2017-02-01

Peptide plays an important role in modulation of various cell functions. Therefore, formation reaction of the peptide is important for chemical reactions. One way to probe the reaction of peptide synthesis is a computational method. The purpose of this research is to determine the reaction mechanism for peptide bond formation on Ac-PV-NH2 and Ac-VP-NH2 synthesis from amino acid proline and valine by ab initio computational approach. The calculations were carried out by theory and basis set HF/6-31G(d,p) for four mechanisms (path 1 to 4) that proposed in this research. The results show that the highest of the rate determining step between reactant and transition state (TS) for path 1, 2, 3, and 4 are 163.06 kJ.mol-1, 1868 kJ.mol-1, 5685 kJ.mol-1, and 1837 kJ.mol-1. The calculation shows that the most preferred reaction of Ac-PV-NH2 and Ac-VP-NH2 synthesis from amino acid proline and valine are on the path 1 (initiated with the termination of H+ in proline amino acid) that produce Ac-PV-NH2.

Volunteered Cloud Computing for Disaster Management

Science.gov (United States)

Evans, J. D.; Hao, W.; Chettri, S. R.

2014-12-01

Disaster management relies increasingly on interpreting earth observations and running numerical models; which require significant computing capacity - usually on short notice and at irregular intervals. Peak computing demand during event detection, hazard assessment, or incident response may exceed agency budgets; however some of it can be met through volunteered computing, which distributes subtasks to participating computers via the Internet. This approach has enabled large projects in mathematics, basic science, and climate research to harness the slack computing capacity of thousands of desktop computers. This capacity is likely to diminish as desktops give way to battery-powered mobile devices (laptops, smartphones, tablets) in the consumer market; but as cloud computing becomes commonplace, it may offer significant slack capacity -- if its users are given an easy, trustworthy mechanism for participating. Such a "volunteered cloud computing" mechanism would also offer several advantages over traditional volunteered computing: tasks distributed within a cloud have fewer bandwidth limitations; granular billing mechanisms allow small slices of "interstitial" computing at no marginal cost; and virtual storage volumes allow in-depth, reversible machine reconfiguration. Volunteered cloud computing is especially suitable for "embarrassingly parallel" tasks, including ones requiring large data volumes: examples in disaster management include near-real-time image interpretation, pattern / trend detection, or large model ensembles. In the context of a major disaster, we estimate that cloud users (if suitably informed) might volunteer hundreds to thousands of CPU cores across a large provider such as Amazon Web Services. To explore this potential, we are building a volunteered cloud computing platform and targeting it to a disaster management context. Using a lightweight, fault-tolerant network protocol, this platform helps cloud users join parallel computing projects

Directions for computational mechanics in automotive crashworthiness

Science.gov (United States)

Bennett, James A.; Khalil, T. B.

1993-01-01

The automotive industry has used computational methods for crashworthiness since the early 1970's. These methods have ranged from simple lumped parameter models to full finite element models. The emergence of the full finite element models in the mid 1980's has significantly altered the research direction. However, there remains a need for both simple, rapid modeling methods and complex detailed methods. Some directions for continuing research are discussed.

Computer-Generated Feedback on Student Writing

Science.gov (United States)

Ware, Paige

2011-01-01

A distinction must be made between "computer-generated scoring" and "computer-generated feedback". Computer-generated scoring refers to the provision of automated scores derived from mathematical models built on organizational, syntactic, and mechanical aspects of writing. In contrast, computer-generated feedback, the focus of this article, refers…

Site Environmental Report for 1998

International Nuclear Information System (INIS)

Holland, R.C.

1999-01-01

Sandia National Laboratories (SNL) is committed to conducting its operations in an environmentally safe and sound manner. It is mandatory that activities at SNL/California comply with all applicable environmental statutes, regulations, and standards. Moreover, SNL/California continuously strives to reduce risks to employees, the public, and the environment to the lowest levels reasonably possible. To help verify effective protection of public safety and preservation of the environment, SNL/California maintains an extensive, ongoing environmental monitoring program. This program monitors all significant effluents and the environment at the SNL/California site perimeter. Lawrence Livermore National Laboratory (LLNL) performs off-site external radiation monitoring for both sites. These monitoring efforts ensure that emission controls are effective in preventing contamination of the environment. As part of SNL/California's Environmental Monitoring Program, an environmental surveillance system measures the possible presence of hazardous materials in groundwater, stormwater, and sewage. The program also includes an extensive environmental dosimetry program, which measures external radiation levels around the Livermore site and nearby vicinity. Each year, the results of the Environmental Monitoring Program are published in this report, the Site Environmental Report. This executive summary focuses on impacts to the environment. Chapter 3, ''Compliance Summary,'' reviews the site's various environmental protection activities and compliance status with applicable environmental regulations. The effluent monitoring and environmental surveillance results for 1998 show that SNL/California operations had no harmful effects on the environment or the public

Site Environmental Report for 1998

Energy Technology Data Exchange (ETDEWEB)

Holland, R.C.

1999-06-01

Sandia National Laboratories (SNL) is committed to conducting its operations in an environmentally safe and sound manner. It is mandatory that activities at SNL/California comply with all applicable environmental statutes, regulations, and standards. Moreover, SNL/California continuously strives to reduce risks to employees, the public, and the environment to the lowest levels reasonably possible. To help verify effective protection of public safety and preservation of the environment, SNL/California maintains an extensive, ongoing environmental monitoring program. This program monitors all significant effluents and the environment at the SNL/California site perimeter. Lawrence Livermore National Laboratory (LLNL) performs off-site external radiation monitoring for both sites. These monitoring efforts ensure that emission controls are effective in preventing contamination of the environment. As part of SNL/California's Environmental Monitoring Program, an environmental surveillance system measures the possible presence of hazardous materials in groundwater, stormwater, and sewage. The program also includes an extensive environmental dosimetry program, which measures external radiation levels around the Livermore site and nearby vicinity. Each year, the results of the Environmental Monitoring Program are published in this report, the Site Environmental Report. This executive summary focuses on impacts to the environment. Chapter 3, ''Compliance Summary,'' reviews the site's various environmental protection activities and compliance status with applicable environmental regulations. The effluent monitoring and environmental surveillance results for 1998 show that SNL/California operations had no harmful effects on the environment or the public.

Quantum Genetic Algorithms for Computer Scientists

Directory of Open Access Journals (Sweden)

Rafael Lahoz-Beltra

2016-10-01

Full Text Available Genetic algorithms (GAs are a class of evolutionary algorithms inspired by Darwinian natural selection. They are popular heuristic optimisation methods based on simulated genetic mechanisms, i.e., mutation, crossover, etc. and population dynamical processes such as reproduction, selection, etc. Over the last decade, the possibility to emulate a quantum computer (a computer using quantum-mechanical phenomena to perform operations on data has led to a new class of GAs known as “Quantum Genetic Algorithms” (QGAs. In this review, we present a discussion, future potential, pros and cons of this new class of GAs. The review will be oriented towards computer scientists interested in QGAs “avoiding” the possible difficulties of quantum-mechanical phenomena.

Hierarchical nanoreinforced composites: Computational analysis of damage mechanisms

DEFF Research Database (Denmark)

Mishnaevsky, Leon; Pontefisso, Alessandro; Dai, Gaoming

2016-01-01

of distribution, shape, orientation of nanoparticles (carbon nanotube, graphene) in unidirectional polymer matrix composites on the strength and damage resistance of the composites is studied in computational studies. The possible directions of the improvement of nanoreinforced composites by controlling shapes...

Advances in unconventional computing

CERN Document Server

2017-01-01

The unconventional computing is a niche for interdisciplinary science, cross-bred of computer science, physics, mathematics, chemistry, electronic engineering, biology, material science and nanotechnology. The aims of this book are to uncover and exploit principles and mechanisms of information processing in and functional properties of physical, chemical and living systems to develop efficient algorithms, design optimal architectures and manufacture working prototypes of future and emergent computing devices. This first volume presents theoretical foundations of the future and emergent computing paradigms and architectures. The topics covered are computability, (non-)universality and complexity of computation; physics of computation, analog and quantum computing; reversible and asynchronous devices; cellular automata and other mathematical machines; P-systems and cellular computing; infinity and spatial computation; chemical and reservoir computing. The book is the encyclopedia, the first ever complete autho...

Computed tomography is not justified in every pediatric blunt trauma patient with a suspicious mechanism of injury.

Science.gov (United States)

Hershkovitz, Yehuda; Zoarets, Itai; Stepansky, Albert; Kozer, Eran; Shapira, Zahar; Klin, Baruch; Halevy, Ariel; Jeroukhimov, Igor

2014-07-01

Computed tomography (CT) has become an important tool for the diagnosis of intra-abdominal and chest injuries in patients with blunt trauma. The role of CT in conscious asymptomatic patients with a suspicious mechanism of injury remains controversial. This controversy intensifies in the management of pediatric blunt trauma patients, who are much more susceptible to radiation exposure. The objective of this study was to evaluate the role of abdominal and chest CT imaging in asymptomatic pediatric patients with a suspicious mechanism of injury. Forty-two pediatric patients up to 15 years old were prospectively enrolled. All patients presented with a suspicious mechanism of blunt trauma and multisystem injury. They were neurologically intact and had no signs of injury to the abdomen or chest. Patients underwent CT imaging of the chest and abdomen as part of the initial evaluation. Thirty-one patients (74%) had a normal CT scan. Two patients of 11 with an abnormal CT scan required a change in management and were referred for observation in the Intensive Care Unit. None of the patients required surgical intervention. The routine use of CT in asymptomatic pediatric patients with a suspicious mechanism of blunt trauma injury is not justified. Copyright © 2014 Elsevier Inc. All rights reserved.

Computational modeling of elastic properties of carbon nanotube/polymer composites with interphase regions. Part II: Mechanical modeling

KAUST Repository

Han, Fei

2014-01-01

We present two modeling approaches for predicting the macroscopic elastic properties of carbon nanotubes/polymer composites with thick interphase regions at the nanotube/matrix frontier. The first model is based on local continuum mechanics; the second one is based on hybrid local/non-local continuum mechanics. The key computational issues, including the peculiar homogenization technique and treatment of periodical boundary conditions in the non-local continuum model, are clarified. Both models are implemented through a three-dimensional geometric representation of the carbon nanotubes network, which has been detailed in Part I. Numerical results are shown and compared for both models in order to test convergence and sensitivity toward input parameters. It is found that both approaches provide similar results in terms of homogenized quantities but locally can lead to very different microscopic fields. © 2013 Elsevier B.V. All rights reserved.

Bacterial computing: a form of natural computing and its applications

Directory of Open Access Journals (Sweden)

Rafael eLahoz-Beltra

2014-03-01

Full Text Available The capability to establish adaptive relationships with the environment is an essential characteristic of living cells. Both bacterial computing and bacterial intelligence are two general traits manifested along adaptive behaviors that respond to surrounding environmental conditions. These two traits have generated a variety of theoretical and applied approaches. Since the different systems of bacterial signaling and the different ways of genetic change are better known and more carefully explored, the whole adaptive possibilities of bacteria may be studied under new angles. For instance, there appear instances of molecular learning along the mechanisms of evolution. More in concrete, and looking specifically at the time dimension, the bacterial mechanisms of learning and evolution appear as two different and related mechanisms for adaptation to the environment; in somatic time the former and in evolutionary time the latter. In the present chapter it will be reviewed the possible application of both kinds of mechanisms to prokaryotic molecular computing schemes as well as to the solution of real world problems.

Quantum Mechanics/Molecular Mechanics Study of the Sialyltransferase Reaction Mechanism.

Science.gov (United States)

Hamada, Yojiro; Kanematsu, Yusuke; Tachikawa, Masanori

2016-10-11

The sialyltransferase is an enzyme that transfers the sialic acid moiety from cytidine 5'-monophospho-N-acetyl-neuraminic acid (CMP-NeuAc) to the terminal position of glycans. To elucidate the catalytic mechanism of sialyltransferase, we explored the potential energy surface along the sialic acid transfer reaction coordinates by the hybrid quantum mechanics/molecular mechanics method on the basis of the crystal structure of sialyltransferase CstII. Our calculation demonstrated that CstII employed an S N 1-like reaction mechanism via the formation of a short-lived oxocarbenium ion intermediate. The computational barrier height was 19.5 kcal/mol, which reasonably corresponded with the experimental reaction rate. We also found that two tyrosine residues (Tyr156 and Tyr162) played a vital role in stabilizing the intermediate and the transition states by quantum mechanical interaction with CMP.

Sandia National Laboratories California Environmental Monitoring Program Annual Report.

Energy Technology Data Exchange (ETDEWEB)

Holland, Robert C.

2007-03-01

The annual program report provides detailed information about all aspects of the SNL/CA Environmental Monitoring Program for a given calendar year. It functions as supporting documentation to the SNL/CA Environmental Management System Program Manual. The 2006 program report describes the activities undertaken during the past year, and activities planned in future years to implement the Environmental Monitoring Program, one of six programs that supports environmental management at SNL/CA.

Sandia National Laboratories, California Waste Management Program annual report.

Energy Technology Data Exchange (ETDEWEB)

Brynildson, Mark E.

2010-02-01

The annual program report provides detailed information about all aspects of the Sandia National Laboratories, California (SNL/CA) Waste Management Program. It functions as supporting documentation to the SNL/CA Environmental Management System Program Manual. This annual program report describes the activities undertaken during the past year, and activities planned in future years to implement the Waste Management (WM) Program, one of six programs that supports environmental management at SNL/CA.

Sandia National Laboratories California Waste Management Program Annual Report April 2011

Energy Technology Data Exchange (ETDEWEB)

Brynildson, Mark E. [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)

2011-04-01

The annual program report provides detailed information about all aspects of the Sandia National Laboratories, California (SNL/CA) Waste Management Program. It functions as supporting documentation to the SNL/CA Environmental Management System Program Manual. This annual program report describes the activities undertaken during the past year, and activities planned in future years to implement the Waste Management (WM) Program, one of six programs that supports environmental management at SNL/CA.

Sandia National Laboratories, California Pollution Prevention Program annual report.

Energy Technology Data Exchange (ETDEWEB)

Harris, Janet S.; Farren, Laurie J.

2010-03-01

The annual program report provides detailed information about all aspects of the SNL/CA Pollution Prevention Program for a given calendar year. It functions as supporting documentation to the SNL/CA Environmental Management System Program Manual. The program report describes the activities undertaken during the past year, and activities planned in future years to implement the Pollution Prevention Program, one of six programs that supports environmental management at SNL/CA.

Sandia National Laboratories, California Waste Management Program annual report : February 2009.

Energy Technology Data Exchange (ETDEWEB)

Brynildson, Mark E.

2009-02-01

The annual program report provides detailed information about all aspects of the Sandia National Laboratories, California (SNL/CA) Waste Management Program. It functions as supporting documentation to the SNL/CA Environmental Management System rogram Manual. This annual program report describes the activities undertaken during the past year, and activities planned in future years to implement the Waste Management (WM) Program, one of six programs that supports environmental management at SNL/CA.

The Mechanics of Embodiment: A Dialog on Embodiment and Computational Modeling

Science.gov (United States)

Pezzulo, Giovanni; Barsalou, Lawrence W.; Cangelosi, Angelo; Fischer, Martin H.; McRae, Ken; Spivey, Michael J.

2011-01-01

Embodied theories are increasingly challenging traditional views of cognition by arguing that conceptual representations that constitute our knowledge are grounded in sensory and motor experiences, and processed at this sensorimotor level, rather than being represented and processed abstractly in an amodal conceptual system. Given the established empirical foundation, and the relatively underspecified theories to date, many researchers are extremely interested in embodied cognition but are clamoring for more mechanistic implementations. What is needed at this stage is a push toward explicit computational models that implement sensorimotor grounding as intrinsic to cognitive processes. In this article, six authors from varying backgrounds and approaches address issues concerning the construction of embodied computational models, and illustrate what they view as the critical current and next steps toward mechanistic theories of embodiment. The first part has the form of a dialog between two fictional characters: Ernest, the “experimenter,” and Mary, the “computational modeler.” The dialog consists of an interactive sequence of questions, requests for clarification, challenges, and (tentative) answers, and touches the most important aspects of grounded theories that should inform computational modeling and, conversely, the impact that computational modeling could have on embodied theories. The second part of the article discusses the most important open challenges for embodied computational modeling. PMID:21713184

Quantum computing and probability.

Science.gov (United States)

Ferry, David K

2009-11-25

Over the past two decades, quantum computing has become a popular and promising approach to trying to solve computationally difficult problems. Missing in many descriptions of quantum computing is just how probability enters into the process. Here, we discuss some simple examples of how uncertainty and probability enter, and how this and the ideas of quantum computing challenge our interpretations of quantum mechanics. It is found that this uncertainty can lead to intrinsic decoherence, and this raises challenges for error correction.

Quantum computing and probability

International Nuclear Information System (INIS)

Ferry, David K

2009-01-01

Over the past two decades, quantum computing has become a popular and promising approach to trying to solve computationally difficult problems. Missing in many descriptions of quantum computing is just how probability enters into the process. Here, we discuss some simple examples of how uncertainty and probability enter, and how this and the ideas of quantum computing challenge our interpretations of quantum mechanics. It is found that this uncertainty can lead to intrinsic decoherence, and this raises challenges for error correction. (viewpoint)

1991 Environmental monitoring report Sandia National Laboratories, Albuquerque, New Mexico

International Nuclear Information System (INIS)

Culp, T.; Cox, W.; Hwang, S.; Jones, A.; Longley, S.; Parsons, A.; Wolff, T.; Fish, J.; Ward, S.

1992-11-01

This 1991 report contains monitoring data from routine radiological and nonradiological environmental surveillance activities. Summaries of significant environmental compliance programs in progress such as National Environmental Policy Act (NEPA) documentation, environmental permits, envirorunental restoration (ER), and various waste management programs for Sandia National Laboratories in Albuquerque (SNL, Albuquerque) are included. The maximum offsite dose impact was calculated to be 1.3 x 10 -3 mrem. The total population within a 50-mile radius of SNL, Albuquerque, received a collective dose of 0.53 person-rem during 1991 from SNL, Albuquerque, operations. As in the previous year, the 1991 operations at SNL, Albuquerque, had no discernible impact on the general public or on the environment

Environmental Management System Objectives & Targets Results Summary - FY 2015.

Energy Technology Data Exchange (ETDEWEB)

Vetter, Douglas W

2016-02-01

Sandia National Laboratories (SNL) Environmental Management System is the integrated approach for members of the workforce to identify and manage environmental risks. Each Fiscal Year (FY) SNL performs an analysis to identify environmental aspects, and the environmental programs associated with them are charged with the task of routinely monitoring and measuring the objectives and targets that are established to mitigate potential impacts of SNL's operations on the environment. An annual summary of the results achieved towards meeting established Sandia Corporation and SNL Site-specific objectives and targets provides a connection to, and rational for, annually revised environmental aspects. The purpose of this document is to summarize the results achieved and documented in FY 2015.

A computational approach to analyze the mechanism of action of the kinase inhibitor bafetinib.

Directory of Open Access Journals (Sweden)

Thomas R Burkard

Full Text Available Prediction of drug action in human cells is a major challenge in biomedical research. Additionally, there is strong interest in finding new applications for approved drugs and identifying potential side effects. We present a computational strategy to predict mechanisms, risks and potential new domains of drug treatment on the basis of target profiles acquired through chemical proteomics. Functional protein-protein interaction networks that share one biological function are constructed and their crosstalk with the drug is scored regarding function disruption. We apply this procedure to the target profile of the second-generation BCR-ABL inhibitor bafetinib which is in development for the treatment of imatinib-resistant chronic myeloid leukemia. Beside the well known effect on apoptosis, we propose potential treatment of lung cancer and IGF1R expressing blast crisis.

Filtration theory using computer simulations

Energy Technology Data Exchange (ETDEWEB)

Bergman, W.; Corey, I. [Lawrence Livermore National Lab., CA (United States)

1997-08-01

We have used commercially available fluid dynamics codes based on Navier-Stokes theory and the Langevin particle equation of motion to compute the particle capture efficiency and pressure drop through selected two- and three-dimensional fiber arrays. The approach we used was to first compute the air velocity vector field throughout a defined region containing the fiber matrix. The particle capture in the fiber matrix is then computed by superimposing the Langevin particle equation of motion over the flow velocity field. Using the Langevin equation combines the particle Brownian motion, inertia and interception mechanisms in a single equation. In contrast, most previous investigations treat the different capture mechanisms separately. We have computed the particle capture efficiency and the pressure drop through one, 2-D and two, 3-D fiber matrix elements. 5 refs., 11 figs.

Mechanical properties of regular porous biomaterials made from truncated cube repeating unit cells: Analytical solutions and computational models.

Science.gov (United States)

Hedayati, R; Sadighi, M; Mohammadi-Aghdam, M; Zadpoor, A A

2016-03-01

Additive manufacturing (AM) has enabled fabrication of open-cell porous biomaterials based on repeating unit cells. The micro-architecture of the porous biomaterials and, thus, their physical properties could then be precisely controlled. Due to their many favorable properties, porous biomaterials manufactured using AM are considered as promising candidates for bone substitution as well as for several other applications in orthopedic surgery. The mechanical properties of such porous structures including static and fatigue properties are shown to be strongly dependent on the type of the repeating unit cell based on which the porous biomaterial is built. In this paper, we study the mechanical properties of porous biomaterials made from a relatively new unit cell, namely truncated cube. We present analytical solutions that relate the dimensions of the repeating unit cell to the elastic modulus, Poisson's ratio, yield stress, and buckling load of those porous structures. We also performed finite element modeling to predict the mechanical properties of the porous structures. The analytical solution and computational results were found to be in agreement with each other. The mechanical properties estimated using both the analytical and computational techniques were somewhat higher than the experimental data reported in one of our recent studies on selective laser melted Ti-6Al-4V porous biomaterials. In addition to porosity, the elastic modulus and Poisson's ratio of the porous structures were found to be strongly dependent on the ratio of the length of the inclined struts to that of the uninclined (i.e. vertical or horizontal) struts, α, in the truncated cube unit cell. The geometry of the truncated cube unit cell approaches the octahedral and cube unit cells when α respectively approaches zero and infinity. Consistent with those geometrical observations, the analytical solutions presented in this study approached those of the octahedral and cube unit cells when �

Elements of quantum computing history, theories and engineering applications

CERN Document Server

Akama, Seiki

2015-01-01

A quantum computer is a computer based on a computational model which uses quantum mechanics, which is a subfield of physics to study phenomena at the micro level. There has been a growing interest on quantum computing in the 1990's, and some quantum computers at the experimental level were recently implemented. Quantum computers enable super-speed computation, and can solve some important problems whose solutions were regarded impossible or intractable with traditional computers. This book provides a quick introduction to quantum computing for readers who have no backgrounds of both theory of computation and quantum mechanics. “Elements of Quantum Computing” presents the history, theories, and engineering applications of quantum computing. The book is suitable to computer scientists, physicist, and software engineers.

Computational aspects of nonlinear fracture mechanics

International Nuclear Information System (INIS)

Brocks, W.; Cornec, A.; Scheider, I.

2003-01-01

The following contribution will essentially restrict to the application of the von Mises theory of incremental plasticity to cracked specimens and components. In particular, the classical parameters of EPFM, J and CTOD, as well as subsequently proposed parameters such as energy dissipation rate and crack-tip opening angle (CTOA) and the related computational aspects will be discussed. Some remarks follow on the 'local approach to fracture' which is based on continuum field quantities, namely stresses and strains, and the damage models of Gurson (1977) and Rousselier (1987), which have now found increasing application, will be briefly addressed in Section 3.03.4. The numerical modeling of decohesion and separation phenomena by 'cohesive elements' will be presented in Section 3.03.5. (orig.)

Stepping backwards with disability humor? The case of NY Gov. David Paterson’s representation on ‘Saturday Night Live’

Directory of Open Access Journals (Sweden)

Beth Haller

2014-01-01

Full Text Available In the modern era, discerning TV viewers know the shows that trade in cheap laughs by making fun of people with disabilities are not tapping into much creativity. So it was a surprise in 2008 when the highly regarded comedy show Saturday Night Live (SNL stooped to that level by ridiculing the blind governor of New York, David Paterson, in a series of sketches lasting two years. This article analyzes the way humor narratives about a high-profile blind politician on television, like those depicted in the SNL skits, may have influenced larger cultural themes about blindness. Because the East Coast news media reported on the SNL skits every time an episode aired, this project undertook a textual analysis of all aspects of the controversy including the content of the SNL skits, the repeated responses from Gov. Paterson and the blindness community, and the news media framing of the SNL-Paterson skit story. This analysis examines the intertextuality of the event, revealing that the blindness community had a very different reading of the SNL skits, due to concerns about continuing media narratives that devalue and stereotype them.   Keywords: blindness, disability humor, TV comedy shows, skit comedy, politicians

Installation of Groundwater Monitoring Wells TAV-MW15 and TAV-MW16.

Energy Technology Data Exchange (ETDEWEB)

Lum, Clinton C. L. [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)

2017-05-01

This report documents the installation of two groundwater monitoring wells at the Technical Area V Groundwater (TAVG) Area of Concern at Sandia National Laboratories, New Mexico (SNL/NM). SNL/NM is managed and operated by National Technology and Engineering Solutions of Sandia, LLC., a wholly owned subsidiary of Honeywell International Inc., for the U.S. Department of Energy’s National Nuclear Security Administration under contract DE-NA- 0003525. Well installation activities were conducted in accordance with the New Mexico Environment Department (NMED) Hazardous Waste Bureau (HWB)-approved work plan Revised Treatability Study Work Plan for In-Situ Bioremediation at the Technical Area-V Groundwater Area of Concern (Work Plan) (SNL/NM March 2016). The Work Plan was approved by NMED HWB prior to the start of field work (NMED May 2016). Project activities were performed from November 2016 through January 2017 by SNL/NM Environmental Restoration (ER) Operations personnel, and the SNL/NM drilling contractor Cascade Drilling LP. Drilling activities began with borehole drilling and sampling on November 30, 2016. Well construction and development fieldwork was completed on January 31, 2017. Land surveys to establish the location coordinates and elevations of the two wells were completed on March 23, 2017, and transmitted to SNL/NM personnel on April 17, 2017.

Automation from pictures

International Nuclear Information System (INIS)

Kozubal, A.J.

1992-01-01

The state transition diagram (STD) model has been helpful in the design of real time software, especially with the emergence of graphical computer aided software engineering (CASE) tools. Nevertheless, the translation of the STD to real time code has in the past been primarily a manual task. At Los Alamos we have automated this process. The designer constructs the STD using a CASE tool (Cadre Teamwork) using a special notation for events and actions. A translator converts the STD into an intermediate state notation language (SNL), and this SNL is compiled directly into C code (a state program). Execution of the state program is driven by external events, allowing multiple state programs to effectively share the resources of the host processor. Since the design and the code are tightly integrated through the CASE tool, the design and code never diverge, and we avoid design obsolescence. Furthermore, the CASE tool automates the production of formal technical documents from the graphic description encapsulated by the CASE tool. (author)

Neural mechanisms of transient neocortical beta rhythms: Converging evidence from humans, computational modeling, monkeys, and mice

Science.gov (United States)

Sherman, Maxwell A.; Lee, Shane; Law, Robert; Haegens, Saskia; Thorn, Catherine A.; Hämäläinen, Matti S.; Moore, Christopher I.; Jones, Stephanie R.

2016-01-01

Human neocortical 15–29-Hz beta oscillations are strong predictors of perceptual and motor performance. However, the mechanistic origin of beta in vivo is unknown, hindering understanding of its functional role. Combining human magnetoencephalography (MEG), computational modeling, and laminar recordings in animals, we present a new theory that accounts for the origin of spontaneous neocortical beta. In our MEG data, spontaneous beta activity from somatosensory and frontal cortex emerged as noncontinuous beta events typically lasting drive targeting proximal and distal dendrites of pyramidal neurons, where the defining feature of a beta event was a strong distal drive that lasted one beta period (∼50 ms). This beta mechanism rigorously accounted for the beta event profiles; several other mechanisms did not. The spatial location of synaptic drive in the model to supragranular and infragranular layers was critical to the emergence of beta events and led to the prediction that beta events should be associated with a specific laminar current profile. Laminar recordings in somatosensory neocortex from anesthetized mice and awake monkeys supported these predictions, suggesting this beta mechanism is conserved across species and recording modalities. These findings make several predictions about optimal states for perceptual and motor performance and guide causal interventions to modulate beta for optimal function. PMID:27469163

A computational modeling approach for the characterization of mechanical properties of 3D alginate tissue scaffolds.

Science.gov (United States)

Nair, K; Yan, K C; Sun, W

2008-01-01

Scaffold guided tissue engineering is an innovative approach wherein cells are seeded onto biocompatible and biodegradable materials to form 3-dimensional (3D) constructs that, when implanted in the body facilitate the regeneration of tissue. Tissue scaffolds act as artificial extracellular matrix providing the environment conducive for tissue growth. Characterization of scaffold properties is necessary to understand better the underlying processes involved in controlling cell behavior and formation of functional tissue. We report a computational modeling approach to characterize mechanical properties of 3D gellike biomaterial, specifically, 3D alginate scaffold encapsulated with cells. Alginate inherent nonlinearity and variations arising from minute changes in its concentration and viscosity make experimental evaluation of its mechanical properties a challenging and time consuming task. We developed an in silico model to determine the stress-strain relationship of alginate based scaffolds from experimental data. In particular, we compared the Ogden hyperelastic model to other hyperelastic material models and determined that this model was the most suitable to characterize the nonlinear behavior of alginate. We further propose a mathematical model that represents the alginate material constants in Ogden model as a function of concentrations and viscosity. This study demonstrates the model capability to predict mechanical properties of 3D alginate scaffolds.

A Survey of Service Composition Mechanisms in Ubiquitous Computing

DEFF Research Database (Denmark)

Brønsted, Jeppe; Hansen, Klaus Marius; Ingstrup, Mads

2007-01-01

Composition of services, i.e., providing new services by combining existing ones, is a pervasive idea in ubiquitous computing. We surveyed the field by looking at what features are actually present in technologies that support service composition in some form. Condensing this into a list...... of features allowed us to discuss the qualitative merits and drawbacks of various approaches to service composition, focusing in particular on usability, adaptability and efficiency. Moreover, we found that further research is needed into quality-of-service assurance of composites and into contingency...... management for composites—one of the concerns differentiating service composition in ubiquitous computing from its counterpart in less dynamic settings....

Reduced Chemical Kinetic Mechanisms for JP-8 Combustion

National Research Council Canada - National Science Library

Montgomery, Christopher J; Cannon, S. M; Mawid, M. A; Sekar, B

2002-01-01

Using CARM (Computer Aided Reduction Method), a computer program that automates the mechanism reduction process, six different reduced chemical kinetic mechanisms for JP-8 combustion have been generated...

Uncovering stability mechanisms in microbial ecosystems - combining microcosm experiments, computational modelling and ecological theory in a multidisciplinary approach

Science.gov (United States)

Worrich, Anja; König, Sara; Banitz, Thomas; Centler, Florian; Frank, Karin; Kästner, Matthias; Miltner, Anja; Thullner, Martin; Wick, Lukas

2015-04-01

Although bacterial degraders in soil are commonly exposed to fluctuating environmental conditions, the functional performance of the biodegradation processes can often be maintained by resistance and resilience mechanisms. However, there is still a gap in the mechanistic understanding of key factors contributing to the stability of such an ecosystem service. Therefore we developed an integrated approach combining microcosm experiments, simulation models and ecological theory to directly make use of the strengths of these disciplines. In a continuous interplay process, data, hypotheses, and central questions are exchanged between disciplines to initiate new experiments and models to ultimately identify buffer mechanisms and factors providing functional stability. We focus on drying and rewetting-cycles in soil ecosystems, which are a major abiotic driver for bacterial activity. Functional recovery of the system was found to depend on different spatial processes in the computational model. In particular, bacterial motility is a prerequisite for biodegradation if either bacteria or substrate are heterogeneously distributed. Hence, laboratory experiments focussing on bacterial dispersal processes were conducted and confirmed this finding also for functional resistance. Obtained results will be incorporated into the model in the next step. Overall, the combination of computational modelling and laboratory experiments identified spatial processes as the main driving force for functional stability in the considered system, and has proved a powerful methodological approach.

Advanced Visual Quantum Mechanics

CERN Document Server

Thaller, Bernd

2005-01-01

Advanced Visual Quantum Mechanics is a systematic effort to investigate and to teach quantum mechanics with the aid of computer-generated animations. It is a self-contained textbook that combines selected topics from atomic physics (spherical symmetry, the hydrogen atom, and particles with spin) with an introduction to quantum information theory (qubits, EPR paradox, teleportation, quantum computers). It explores relativistic quantum mechanics and the strange behavior of Dirac equation solutions. A series of appendices covers important topics from perturbation and scattering theory. The book places an emphasis on ideas and concepts, with a fair to moderate amount of mathematical rigor. Though this book stands alone, it can also be paired with Thaller Visual Quantum Mechanics to form a comprehensive course in quantum mechanics. The software for the first book earned the European Academic Software Award 2000 for outstanding innovation in its field.

What is computation : An epistemic approach

NARCIS (Netherlands)

Wiedermann, Jiří; van Leeuwen, Jan

2015-01-01

Traditionally, computations are seen as processes that transform information. Definitions of computation subsequently concentrate on a description of the mechanisms that lead to such processes. The bottleneck of this approach is twofold. First, it leads to a definition of computation that is too

Sandia National Laboratories California Environmental Monitoring Program Annual Report for Calendar Year 2005.

Energy Technology Data Exchange (ETDEWEB)

Holland, Robert C.

2006-02-01

The annual program report provides detailed information about all aspects of the SNL/CA Environmental Monitoring Program for a given calendar year. It functions as supporting documentation to the SNL/CA Environmental Management System Program Manual. The 2005 Update program report describes the activities undertaken during the past year, and activities planned in future years to implement the Environmental Monitoring Program, one of six programs that supports environmental management at SNL/CA.

Sandia National Laboratories, California Hazardous Materials Management Program annual report : February 2009.

Energy Technology Data Exchange (ETDEWEB)

Brynildson, Mark E.

2009-02-01

The annual program report provides detailed information about all aspects of the Sandia National Laboratories, California (SNL/CA) Hazardous Materials Management Program. It functions as supporting documentation to the SNL/CA Environmental anagement ystem Program Manual. This program annual report describes the activities undertaken during the past year, and activities planned in future years to implement the Hazardous Materials Management Program, one of six programs that supports environmental management at SNL/CA.

Collaboration in Research and Engineering for Advanced Technology.

Energy Technology Data Exchange (ETDEWEB)

Vrieling, P. Douglas [Sandia National Lab. (SNL-CA), Livermore, CA (United States)

2016-01-01

SNL/CA proposes the Collaboration in Research and Engineering for Advanced Technology and Education (CREATE) facility to support customer-driven national security mission requirements while demonstrating a fiscally responsible approach to cost-control. SNL/CA realizes that due to the current backlog of capital projects in NNSA that following the normal Line Item process to procure capital funding is unlikely and therefore SNL/CA will be looking at all options including Alternative Financing.

Sandia National Laboratories, California Hazardous Materials Management Program annual report.

Energy Technology Data Exchange (ETDEWEB)

Brynildson, Mark E.

2011-02-01

The annual program report provides detailed information about all aspects of the Sandia National Laboratories, California (SNL/CA) Hazardous Materials Management Program. It functions as supporting documentation to the SNL/CA Environmental Management System Program Manual. This program annual report describes the activities undertaken during the calender past year, and activities planned in future years to implement the Hazardous Materials Management Program, one of six programs that supports environmental management at SNL/CA.

Building bridges between perceptual and economic decision-making: neural and computational mechanisms

Directory of Open Access Journals (Sweden)

Christopher eSummerfield

2012-05-01

Full Text Available Investigation into the neural and computational bases of decision-making has proceeded in two parallel but distinct streams. Perceptual decision making (PDM is concerned with how observers detect, discriminate and categorise noisy sensory information. Economic decision making (EDM explores how options are selected on the basis of their reinforcement history. Traditionally, the subfields of PDM and EDM have employed different paradigms, proposed different mechanistic models, explored different brain regions, disagreed about whether decisions approach optimality. Nevertheless, we argue that there is a common framework for understanding decisions made in both domains, under which an agent has to combine sensory information (what is the stimulus with value information (what is it worth. We review computational models of the decision process typically used in PDM, based around the idea that decisions involve a serial integration of evidence, and assess their applicability to decisions between good and gambles. Subsequently, we consider the contribution of three key brain regions – the parietal cortex, the basal ganglia, and the orbitofrontal cortex – to perceptual and economic decision-making, with a focus on the mechanisms by which sensory and reward information are integrated during choice. We find that although the parietal cortex is often implicated in the integration of sensory evidence, there is evidence for its role in encoding the expected value of a decision. Similarly, although much research has emphasised the role of the striatum and orbitofrontal cortex in value-guided choices, they may play an important role in categorisation of perceptual information. In conclusion, we consider how findings from the two fields might be brought together, in order to move towards a general framework for understanding decision-making in humans and other primates.

Computer Game Play Reduces Intrusive Memories of Experimental Trauma via Reconsolidation-Update Mechanisms.

Science.gov (United States)

James, Ella L; Bonsall, Michael B; Hoppitt, Laura; Tunbridge, Elizabeth M; Geddes, John R; Milton, Amy L; Holmes, Emily A

2015-08-01

Memory of a traumatic event becomes consolidated within hours. Intrusive memories can then flash back repeatedly into the mind's eye and cause distress. We investigated whether reconsolidation-the process during which memories become malleable when recalled-can be blocked using a cognitive task and whether such an approach can reduce these unbidden intrusions. We predicted that reconsolidation of a reactivated visual memory of experimental trauma could be disrupted by engaging in a visuospatial task that would compete for visual working memory resources. We showed that intrusive memories were virtually abolished by playing the computer game Tetris following a memory-reactivation task 24 hr after initial exposure to experimental trauma. Furthermore, both memory reactivation and playing Tetris were required to reduce subsequent intrusions (Experiment 2), consistent with reconsolidation-update mechanisms. A simple, noninvasive cognitive-task procedure administered after emotional memory has already consolidated (i.e., > 24 hours after exposure to experimental trauma) may prevent the recurrence of intrusive memories of those emotional events. © The Author(s) 2015.

Computer simulations of neural mechanisms explaining upper and lower limb excitatory neural coupling

Directory of Open Access Journals (Sweden)

Ferris Daniel P

2010-12-01

Full Text Available Abstract Background When humans perform rhythmic upper and lower limb locomotor-like movements, there is an excitatory effect of upper limb exertion on lower limb muscle recruitment. To investigate potential neural mechanisms for this behavioral observation, we developed computer simulations modeling interlimb neural pathways among central pattern generators. We hypothesized that enhancement of muscle recruitment from interlimb spinal mechanisms was not sufficient to explain muscle enhancement levels observed in experimental data. Methods We used Matsuoka oscillators for the central pattern generators (CPG and determined parameters that enhanced amplitudes of rhythmic steady state bursts. Potential mechanisms for output enhancement were excitatory and inhibitory sensory feedback gains, excitatory and inhibitory interlimb coupling gains, and coupling geometry. We first simulated the simplest case, a single CPG, and then expanded the model to have two CPGs and lastly four CPGs. In the two and four CPG models, the lower limb CPGs did not receive supraspinal input such that the only mechanisms available for enhancing output were interlimb coupling gains and sensory feedback gains. Results In a two-CPG model with inhibitory sensory feedback gains, only excitatory gains of ipsilateral flexor-extensor/extensor-flexor coupling produced reciprocal upper-lower limb bursts and enhanced output up to 26%. In a two-CPG model with excitatory sensory feedback gains, excitatory gains of contralateral flexor-flexor/extensor-extensor coupling produced reciprocal upper-lower limb bursts and enhanced output up to 100%. However, within a given excitatory sensory feedback gain, enhancement due to excitatory interlimb gains could only reach levels up to 20%. Interconnecting four CPGs to have ipsilateral flexor-extensor/extensor-flexor coupling, contralateral flexor-flexor/extensor-extensor coupling, and bilateral flexor-extensor/extensor-flexor coupling could enhance

Joint Sandia/NIOSH exercise on aerosol contamination using the BROOM tool.

Energy Technology Data Exchange (ETDEWEB)

Ramsey, James L., Jr. (.,; .); Melton, Brad; Finley, Patrick; Brockman, John; Peyton, Chad E.; Tucker, Mark David; Einfeld, Wayne; Brown, Gary Stephen; Griffith, Richard O.; Lucero, Daniel A.; Knowlton, Robert G.; McKenna, Sean Andrew; Ho, Pauline

2006-06-01

In February of 2005, a joint exercise involving Sandia National Laboratories (SNL) and the National Institute for Occupational Safety and Health (NIOSH) was conducted in Albuquerque, NM. The SNL participants included the team developing the Building Restoration Operations and Optimization Model (BROOM), a software product developed to expedite sampling and data management activities applicable to facility restoration following a biological contamination event. Integrated data-collection, data-management, and visualization software improve the efficiency of cleanup, minimize facility downtime, and provide a transparent basis for reopening. The exercise was held at an SNL facility, the Coronado Club, a now-closed social club for Sandia employees located on Kirtland Air Force Base. Both NIOSH and SNL had specific objectives for the exercise, and all objectives were met.

Problem solving and inference mechanisms

Energy Technology Data Exchange (ETDEWEB)

Furukawa, K; Nakajima, R; Yonezawa, A; Goto, S; Aoyama, A

1982-01-01

The heart of the fifth generation computer will be powerful mechanisms for problem solving and inference. A deduction-oriented language is to be designed, which will form the core of the whole computing system. The language is based on predicate logic with the extended features of structuring facilities, meta structures and relational data base interfaces. Parallel computation mechanisms and specialized hardware architectures are being investigated to make possible efficient realization of the language features. The project includes research into an intelligent programming system, a knowledge representation language and system, and a meta inference system to be built on the core. 30 references.

Quantum mechanical computations and spectroscopy: from small rigid molecules in the gas phase to large flexible molecules in solution.

Science.gov (United States)

Barone, Vincenzo; Improta, Roberto; Rega, Nadia

2008-05-01

Interpretation of structural properties and dynamic behavior of molecules in solution is of fundamental importance to understand their stability, chemical reactivity, and catalytic action. While information can be gained, in principle, by a variety of spectroscopic techniques, the interpretation of the rich indirect information that can be inferred from the analysis of experimental spectra is seldom straightforward because of the subtle interplay of several different effects, whose specific role is not easy to separate and evaluate. In such a complex scenario, theoretical studies can be very helpful at two different levels: (i) supporting and complementing experimental results to determine the structure of the target molecule starting from its spectral properties; (ii) dissecting and evaluating the role of different effects in determining the observed spectroscopic properties. This is the reason why computational spectroscopy is rapidly evolving from a highly specialized research field into a versatile and widespread tool for the assignment of experimental spectra and their interpretation in terms of chemical physical effects. In such a situation, it becomes important that both computationally and experimentally oriented chemists are aware that new methodological advances and integrated computational strategies are available, providing reliable estimates of fundamental spectral parameters not only for relatively small molecules in the gas phase but also for large and flexible molecules in condensed phases. In this Account, we review the most significant methodological contributions from our research group in this field, and by exploiting some recent results of their application to the computation of IR, UV-vis, NMR, and EPR spectral parameters, we discuss the microscopic mechanisms underlying solvent and vibrational effects on the spectral parameters. After reporting some recent achievements for the study of excited states by first principle quantum mechanical

Environmental Planning and Ecology Program Annual Report.

Energy Technology Data Exchange (ETDEWEB)

Larsen, Barbara L.

2008-01-01

The annual program report provides detailed information about all aspects of the Sandia National Laboratories, California (SNL/CA) Environmental Planning and Ecology Program for a given calendar year. It functions as supporting documentation to the SNL/CA Environmental Management System Program Manual. The program report describes the activities undertaken during the past year, and activities planned in future years to implement the Planning and Ecology Program, one of six programs that supports environmental management at SNL/CA.

The Mechanics of Mechanical Watches and Clocks

CERN Document Server

Du, Ruxu

2013-01-01

"The Mechanics of Mechanical Watches and Clocks" presents historical views and mathematical models of mechanical watches and clocks. Although now over six hundred years old, mechanical watches and clocks are still popular luxury items that fascinate many people around the world. However few have examined the theory of how they work as presented in this book. The illustrations and computer animations are unique and have never been published before. It will be of significant interest to researchers in mechanical engineering, watchmakers and clockmakers, as well as people who have an engineering background and are interested in mechanical watches and clocks. It will also inspire people in other fields of science and technology, such as mechanical engineering and electronics engineering, to advance their designs. Professor Ruxu Du works at the Chinese University of Hong Kong, China. Assistant Professor Longhan Xie works at the South China University of Technology, China.

An introduction to quantum computing algorithms

CERN Document Server

Pittenger, Arthur O

2000-01-01

In 1994 Peter Shor [65] published a factoring algorithm for a quantum computer that finds the prime factors of a composite integer N more efficiently than is possible with the known algorithms for a classical com­ puter. Since the difficulty of the factoring problem is crucial for the se­ curity of a public key encryption system, interest (and funding) in quan­ tum computing and quantum computation suddenly blossomed. Quan­ tum computing had arrived. The study of the role of quantum mechanics in the theory of computa­ tion seems to have begun in the early 1980s with the publications of Paul Benioff [6]' [7] who considered a quantum mechanical model of computers and the computation process. A related question was discussed shortly thereafter by Richard Feynman [35] who began from a different perspec­ tive by asking what kind of computer should be used to simulate physics. His analysis led him to the belief that with a suitable class of "quantum machines" one could imitate any quantum system.

Insights into the molecular mechanisms of Polygonum multiflorum Thunb-induced liver injury: a computational systems toxicology approach.

Science.gov (United States)

Wang, Yin-Yin; Li, Jie; Wu, Zeng-Rui; Zhang, Bo; Yang, Hong-Bin; Wang, Qin; Cai, Ying-Chun; Liu, Gui-Xia; Li, Wei-Hua; Tang, Yun

2017-05-01

An increasing number of cases of herb-induced liver injury (HILI) have been reported, presenting new clinical challenges. In this study, taking Polygonum multiflorum Thunb (PmT) as an example, we proposed a computational systems toxicology approach to explore the molecular mechanisms of HILI. First, the chemical components of PmT were extracted from 3 main TCM databases as well as the literature related to natural products. Then, the known targets were collected through data integration, and the potential compound-target interactions (CTIs) were predicted using our substructure-drug-target network-based inference (SDTNBI) method. After screening for hepatotoxicity-related genes by assessing the symptoms of HILI, a compound-target interaction network was constructed. A scoring function, namely, Ascore, was developed to estimate the toxicity of chemicals in the liver. We conducted network analysis to determine the possible mechanisms of the biphasic effects using the analysis tools, including BiNGO, pathway enrichment, organ distribution analysis and predictions of interactions with CYP450 enzymes. Among the chemical components of PmT, 54 components with good intestinal absorption were used for analysis, and 2939 CTIs were obtained. After analyzing the mRNA expression data in the BioGPS database, 1599 CTIs and 125 targets related to liver diseases were identified. In the top 15 compounds, seven with Ascore values >3000 (emodin, quercetin, apigenin, resveratrol, gallic acid, kaempferol and luteolin) were obviously associated with hepatotoxicity. The results from the pathway enrichment analysis suggest that multiple interactions between apoptosis and metabolism may underlie PmT-induced liver injury. Many of the pathways have been verified in specific compounds, such as glutathione metabolism, cytochrome P450 metabolism, and the p53 pathway, among others. Hepatitis symptoms, the perturbation of nine bile acids and yellow or tawny urine also had corresponding pathways

Quantum steady computation

International Nuclear Information System (INIS)

Castagnoli, G.

1991-01-01

This paper reports that current conceptions of quantum mechanical computers inherit from conventional digital machines two apparently interacting features, machine imperfection and temporal development of the computational process. On account of machine imperfection, the process would become ideally reversible only in the limiting case of zero speed. Therefore the process is irreversible in practice and cannot be considered to be a fundamental quantum one. By giving up classical features and using a linear, reversible and non-sequential representation of the computational process - not realizable in classical machines - the process can be identified with the mathematical form of a quantum steady state. This form of steady quantum computation would seem to have an important bearing on the notion of cognition

Quantum steady computation

Energy Technology Data Exchange (ETDEWEB)

Castagnoli, G. (Dipt. di Informatica, Sistemistica, Telematica, Univ. di Genova, Viale Causa 13, 16145 Genova (IT))

1991-08-10

This paper reports that current conceptions of quantum mechanical computers inherit from conventional digital machines two apparently interacting features, machine imperfection and temporal development of the computational process. On account of machine imperfection, the process would become ideally reversible only in the limiting case of zero speed. Therefore the process is irreversible in practice and cannot be considered to be a fundamental quantum one. By giving up classical features and using a linear, reversible and non-sequential representation of the computational process - not realizable in classical machines - the process can be identified with the mathematical form of a quantum steady state. This form of steady quantum computation would seem to have an important bearing on the notion of cognition.

Site environmental report for 1994

Energy Technology Data Exchange (ETDEWEB)

Brekke, D.D.; Holland, R.C.; Gordon, K.W. [ed.

1995-12-01

Sandia National Laboratories (SNL) is committed to conducting its operations in an environmentally safe and sound manner. It is mandatory that activities at SNL/California comply with all applicable environmental statutes, regulations, and standards. Moreover, SNL/California continuously strives to reduce risks to employees, the public, and the environment to the lowest levels reasonably possible. To help verify effective protection of public safety and preservation of the environment, SNL/California maintains an extensive, ongoing environmental monitoring program. This program monitors all significant airborne and liquid effluents and the environment at the SNL/California site perimeter. Lawrence Livermore National Laboratory (LLNL) performs off-site environmental monitoring for both sites. These monitoring efforts ensure that emission controls are effective in preventing contamination of the environment. As part of SNL/California`s Environmental Monitoring Program, an environmental surveillance system measures the possible presence of radioactive and hazardous materials in ambient air, surface water, groundwater, sewage, soil, vegetation, and locally-produced food-stuffs. The program also includes an extensive environmental dosimetry program, which measures external radiation levels around the Livermore site and nearby vicinity. Each year, the results of the Environmental Monitoring Program are published in this report, the Site Environmental Report This executive summary focuses on impacts to the environment and estimated radiation doses to the public from site emissions. Chapter 3, {open_quotes}Compliance Summary,{close_quotes} reviews the site`s various environmental protection activities and compliance status with applicable environmental regulations. The effluent monitoring and environmental surveillance results for 1994 show that SNL/California operations had no harmful effects on the environment or the public. A summary of the findings is provided below.

Site environmental report for 1994

International Nuclear Information System (INIS)

Brekke, D.D.; Holland, R.C.; Gordon, K.W.

1995-01-01

Sandia National Laboratories (SNL) is committed to conducting its operations in an environmentally safe and sound manner. It is mandatory that activities at SNL/California comply with all applicable environmental statutes, regulations, and standards. Moreover, SNL/California continuously strives to reduce risks to employees, the public, and the environment to the lowest levels reasonably possible. To help verify effective protection of public safety and preservation of the environment, SNL/California maintains an extensive, ongoing environmental monitoring program. This program monitors all significant airborne and liquid effluents and the environment at the SNL/California site perimeter. Lawrence Livermore National Laboratory (LLNL) performs off-site environmental monitoring for both sites. These monitoring efforts ensure that emission controls are effective in preventing contamination of the environment. As part of SNL/California's Environmental Monitoring Program, an environmental surveillance system measures the possible presence of radioactive and hazardous materials in ambient air, surface water, groundwater, sewage, soil, vegetation, and locally-produced food-stuffs. The program also includes an extensive environmental dosimetry program, which measures external radiation levels around the Livermore site and nearby vicinity. Each year, the results of the Environmental Monitoring Program are published in this report, the Site Environmental Report This executive summary focuses on impacts to the environment and estimated radiation doses to the public from site emissions. Chapter 3, open-quotes Compliance Summary,close quotes reviews the site's various environmental protection activities and compliance status with applicable environmental regulations. The effluent monitoring and environmental surveillance results for 1994 show that SNL/California operations had no harmful effects on the environment or the public. A summary of the findings is provided below

Computational methods for fracture mechanics analysis of pressurized-thermal-shock experiments

International Nuclear Information System (INIS)

Bass, B.R.; Bryan, R.H.; Bryson, J.W.; Merkle, J.G.

1984-01-01

Extensive computational analyses are required to determine material parameters and optimum pressure-temperature transients compatible with proposed pressurized-thermal-shock (PTS) test scenarios and with the capabilities of the PTS test facility at the Oak Ridge National Laboratory (ORNL). Computational economy has led to the application of techniques suitable for parametric studies involving the analysis of a large number of transients. These techniques, which include analysis capability for two- and three-dimensional (2-D and 3-D) superposition, inelastic ligament stability, and upper-shelf arrest, have been incorporated into the OCA/USA computer program. Features of the OCA/USA program are discussed, including applications to the PTS test configuration

Computational methods for fracture mechanics analysis of pressurized-thermal-shock experiments

International Nuclear Information System (INIS)

Bass, B.R.; Bryan, R.H.; Bryson, J.W.; Merkle, J.G.

1984-01-01

Extensive computational analyses are required to determine material parameters and optimum pressure-temperature transients compatible with proposed pressurized-thermal-shock (PTS) test scenarios and with the capabilities of the PTS test facility at the Oak Ridge National Laboratory (ORNL). Computational economy has led to the application of techniques suitable for parametric studies involving the analysis of a large number of transients. These techniques, which include analysis capability for two- and three-dimensional (2-D and 3-D) superposition, inelastic ligament stability, and upper-shelf arrest, have been incorporated into the OCA/ USA computer program. Features of the OCA/USA program are discussed, including applications to the PTS test configuration. (author)

Pollution prevention opportunity assessment for Sandia National Laboratories/California recycling programs.

Energy Technology Data Exchange (ETDEWEB)

Wrons, Ralph Jordan; Vetter, Douglas Walter

2007-07-01

This Pollution Prevention Opportunity Assessment (PPOA) was conducted for the Sandia National Laboratories/California (SNL/CA) Environmental Management Department between May 2006 and March 2007, to evaluate the current site-wide recycling program for potential opportunities to improve the efficiency of the program. This report contains a summary of the information collected and analyses performed with recommended options for implementation. The SNL/NM Pollution Prevention (P2) staff worked with the SNL/CA P2 Staff to arrive at these options.

Test simulation of neutron damage to electronic components using accelerator facilities

Energy Technology Data Exchange (ETDEWEB)

King, D.B., E-mail: dbking@sandia.gov; Fleming, R.M.; Bielejec, E.S.; McDonald, J.K.; Vizkelethy, G.

2015-12-15

The purpose of this work is to demonstrate equivalent bipolar transistor damage response to neutrons and silicon ions. We report on irradiation tests performed at the White Sands Missile Range Fast Burst Reactor, the Sandia National Laboratories (SNL) Annular Core Research Reactor, the SNL SPHINX accelerator, and the SNL Ion Beam Laboratory using commercial silicon npn bipolar junction transistors (BJTs) and III–V Npn heterojunction bipolar transistors (HBTs). Late time and early time gain metrics as well as defect spectra measurements are reported.

Quantum Genetic Algorithms for Computer Scientists

OpenAIRE

Lahoz Beltrá, Rafael

2016-01-01

Genetic algorithms (GAs) are a class of evolutionary algorithms inspired by Darwinian natural selection. They are popular heuristic optimisation methods based on simulated genetic mechanisms, i.e., mutation, crossover, etc. and population dynamical processes such as reproduction, selection, etc. Over the last decade, the possibility to emulate a quantum computer (a computer using quantum-mechanical phenomena to perform operations on data) has led to a new class of GAs known as “Quantum Geneti...

Computational mathematics in China

CERN Document Server

Shi, Zhong-Ci

1994-01-01

This volume describes the most significant contributions made by Chinese mathematicians over the past decades in various areas of computational mathematics. Some of the results are quite important and complement Western developments in the field. The contributors to the volume range from noted senior mathematicians to promising young researchers. The topics include finite element methods, computational fluid mechanics, numerical solutions of differential equations, computational methods in dynamical systems, numerical algebra, approximation, and optimization. Containing a number of survey articles, the book provides an excellent way for Western readers to gain an understanding of the status and trends of computational mathematics in China.

Quantum computing

International Nuclear Information System (INIS)

Steane, Andrew

1998-01-01

The subject of quantum computing brings together ideas from classical information theory, computer science, and quantum physics. This review aims to summarize not just quantum computing, but the whole subject of quantum information theory. Information can be identified as the most general thing which must propagate from a cause to an effect. It therefore has a fundamentally important role in the science of physics. However, the mathematical treatment of information, especially information processing, is quite recent, dating from the mid-20th century. This has meant that the full significance of information as a basic concept in physics is only now being discovered. This is especially true in quantum mechanics. The theory of quantum information and computing puts this significance on a firm footing, and has led to some profound and exciting new insights into the natural world. Among these are the use of quantum states to permit the secure transmission of classical information (quantum cryptography), the use of quantum entanglement to permit reliable transmission of quantum states (teleportation), the possibility of preserving quantum coherence in the presence of irreversible noise processes (quantum error correction), and the use of controlled quantum evolution for efficient computation (quantum computation). The common theme of all these insights is the use of quantum entanglement as a computational resource. It turns out that information theory and quantum mechanics fit together very well. In order to explain their relationship, this review begins with an introduction to classical information theory and computer science, including Shannon's theorem, error correcting codes, Turing machines and computational complexity. The principles of quantum mechanics are then outlined, and the Einstein, Podolsky and Rosen (EPR) experiment described. The EPR-Bell correlations, and quantum entanglement in general, form the essential new ingredient which distinguishes quantum from

Quantum computing

Energy Technology Data Exchange (ETDEWEB)

Steane, Andrew [Department of Atomic and Laser Physics, University of Oxford, Clarendon Laboratory, Oxford (United Kingdom)

1998-02-01

The subject of quantum computing brings together ideas from classical information theory, computer science, and quantum physics. This review aims to summarize not just quantum computing, but the whole subject of quantum information theory. Information can be identified as the most general thing which must propagate from a cause to an effect. It therefore has a fundamentally important role in the science of physics. However, the mathematical treatment of information, especially information processing, is quite recent, dating from the mid-20th century. This has meant that the full significance of information as a basic concept in physics is only now being discovered. This is especially true in quantum mechanics. The theory of quantum information and computing puts this significance on a firm footing, and has led to some profound and exciting new insights into the natural world. Among these are the use of quantum states to permit the secure transmission of classical information (quantum cryptography), the use of quantum entanglement to permit reliable transmission of quantum states (teleportation), the possibility of preserving quantum coherence in the presence of irreversible noise processes (quantum error correction), and the use of controlled quantum evolution for efficient computation (quantum computation). The common theme of all these insights is the use of quantum entanglement as a computational resource. It turns out that information theory and quantum mechanics fit together very well. In order to explain their relationship, this review begins with an introduction to classical information theory and computer science, including Shannon's theorem, error correcting codes, Turing machines and computational complexity. The principles of quantum mechanics are then outlined, and the Einstein, Podolsky and Rosen (EPR) experiment described. The EPR-Bell correlations, and quantum entanglement in general, form the essential new ingredient which distinguishes quantum from

Classical mechanics with Maxima

CERN Document Server

Timberlake, Todd Keene

2016-01-01

This book guides undergraduate students in the use of Maxima—a computer algebra system—in solving problems in classical mechanics. It functions well as a supplement to a typical classical mechanics textbook. When it comes to problems that are too difficult to solve by hand, computer algebra systems that can perform symbolic mathematical manipulations are a valuable tool. Maxima is particularly attractive in that it is open-source, multiple-platform software that students can download and install free of charge. Lessons learned and capabilities developed using Maxima are easily transferred to other, proprietary software.

Computational Psychosomatics and Computational Psychiatry: Toward a Joint Framework for Differential Diagnosis.

Science.gov (United States)

Petzschner, Frederike H; Weber, Lilian A E; Gard, Tim; Stephan, Klaas E

2017-09-15

This article outlines how a core concept from theories of homeostasis and cybernetics, the inference-control loop, may be used to guide differential diagnosis in computational psychiatry and computational psychosomatics. In particular, we discuss 1) how conceptualizing perception and action as inference-control loops yields a joint computational perspective on brain-world and brain-body interactions and 2) how the concrete formulation of this loop as a hierarchical Bayesian model points to key computational quantities that inform a taxonomy of potential disease mechanisms. We consider the utility of this perspective for differential diagnosis in concrete clinical applications. Copyright © 2017 Society of Biological Psychiatry. Published by Elsevier Inc. All rights reserved.

Differential equations, mechanics, and computation

CERN Document Server

Palais, Richard S

2009-01-01

This book provides a conceptual introduction to the theory of ordinary differential equations, concentrating on the initial value problem for equations of evolution and with applications to the calculus of variations and classical mechanics, along with a discussion of chaos theory and ecological models. It has a unified and visual introduction to the theory of numerical methods and a novel approach to the analysis of errors and stability of various numerical solution algorithms based on carefully chosen model problems. While the book would be suitable as a textbook for an undergraduate or elementary graduate course in ordinary differential equations, the authors have designed the text also to be useful for motivated students wishing to learn the material on their own or desiring to supplement an ODE textbook being used in a course they are taking with a text offering a more conceptual approach to the subject.

Computer code SICHTA-85/MOD 1 for thermohydraulic and mechanical modelling of WWER fuel channel behaviour during LOCA and comparison with original version of the SICHTA code

International Nuclear Information System (INIS)

Bujan, A.; Adamik, V.; Misak, J.

1986-01-01

A brief description is presented of the expansion of the SICHTA-83 computer code for the analysis of the thermal history of the fuel channel for large LOCAs by modelling the mechanical behaviour of fuel element cladding. The new version of the code has a more detailed treatment of heat transfer in the fuel-cladding gap because it also respects the mechanical (plastic) deformations of the cladding and the fuel-cladding interaction (magnitude of contact pressure). Also respected is the change in pressure of the gas filling of the fuel element, the mechanical criterion is considered of a failure of the cladding and the degree is considered of the blockage of the through-flow cross section for coolant flow in the fuel channel. The LOCA WWER-440 model computation provides a comparison of the new SICHTA-85/MOD 1 code with the results of the original 83 version of SICHTA. (author)

Quantum ballistic evolution in quantum mechanics: Application to quantum computers

International Nuclear Information System (INIS)

Benioff, P.