LDRD final report : mesoscale modeling of dynamic loading of heterogeneous materials

Energy Technology Data Exchange (ETDEWEB)

Robbins, Joshua [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Dingreville, Remi Philippe Michel [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Voth, Thomas Eugene [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Furnish, Michael David [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)

2013-12-01

Material response to dynamic loading is often dominated by microstructure (grain structure, porosity, inclusions, defects). An example critically important to Sandia's mission is dynamic strength of polycrystalline metals where heterogeneities lead to localization of deformation and loss of shear strength. Microstructural effects are of broad importance to the scientific community and several institutions within DoD and DOE; however, current models rely on inaccurate assumptions about mechanisms at the sub-continuum or mesoscale. Consequently, there is a critical need for accurate and robust methods for modeling heterogeneous material response at this lower length scale. This report summarizes work performed as part of an LDRD effort (FY11 to FY13; project number 151364) to meet these needs.

FY07 LDRD Final Report Precision, Split Beam, Chirped-Pulse, Seed Laser Technology

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Dawson, J W; Messerly, M J; Phan, H H; Crane, J K; Beach, R J; Siders, C W; Barty, C J

2009-11-12

The goal of this LDRD ER was to develop a robust and reliable technology to seed high-energy laser systems with chirped pulses that can be amplified to kilo-Joule energies and recompressed to sub-picosecond pulse widths creating extremely high peak powers suitable for petawatt class physics experiments. This LDRD project focused on the development of optical fiber laser technologies compatible with the current long pulse National Ignition Facility (NIF) seed laser. New technologies developed under this project include, high stability mode-locked fiber lasers, fiber based techniques for reduction of compressed pulse pedestals and prepulses, new compact stretchers based on chirped fiber Bragg gratings (CFBGs), new techniques for manipulation of chirped pulses prior to amplification and new high-energy fiber amplifiers. This project was highly successful and met virtually all of its goals. The National Ignition Campaign has found the results of this work to be very helpful. The LDRD developed system is being employed in experiments to engineer the Advanced Radiographic Capability (ARC) front end and the fully engineered version of the ARC Front End will employ much of the technology and techniques developed here.

2013 SRNL LDRD Annual Report

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McWhorter, S. [Savannah River Site (SRS), Aiken, SC (United States)

2014-03-07

This report demonstrates the execution of our LDRD program within the objectives and guidelines outlined by the Department of Energy (DOE) through the DOE Order 413.2b. The projects described within the report align purposefully with SRNL’s strategic vision and provide great value to the DOE. The diversity exhibited in the research and development projects underscores the DOE Office of Environmental Management (DOE-EM) mission and enhances that mission by developing the technical capabilities and human capital necessary to support future DOE-EM national needs. As a multiprogram national laboratory, SRNL is applying those capabilities to achieve tangible results for the nation in National Security, Environmental Stewardship, Clean Energy and Nuclear Materials Management.

Exploration of cloud computing late start LDRD #149630 : Raincoat. v. 2.1.

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Echeverria, Victor T.; Metral, Michael David; Leger, Michelle A.; Gabert, Kasimir Georg; Edgett, Patrick Garrett; Thai, Tan Q.

2010-09-01

This report contains documentation from an interoperability study conducted under the Late Start LDRD 149630, Exploration of Cloud Computing. A small late-start LDRD from last year resulted in a study (Raincoat) on using Virtual Private Networks (VPNs) to enhance security in a hybrid cloud environment. Raincoat initially explored the use of OpenVPN on IPv4 and demonstrates that it is possible to secure the communication channel between two small 'test' clouds (a few nodes each) at New Mexico Tech and Sandia. We extended the Raincoat study to add IPSec support via Vyatta routers, to interface with a public cloud (Amazon Elastic Compute Cloud (EC2)), and to be significantly more scalable than the previous iteration. The study contributed to our understanding of interoperability in a hybrid cloud.

LDRD 2013 Annual Report: Laboratory Directed Research and Development Program Activities

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Bookless, W. [Brookhaven National Lab. (BNL), Upton, NY (United States)

2013-12-31

This LDRD project establishes a research program led by Jingguang Chen, who has started a new position as a Joint Appointee between BNL and Columbia University as of FY2013. Under this project, Dr. Chen will establish a new program in catalysis science at BNL and Columbia University. The LDRD program will provide initial research funding to start research at both BNL and Columbia. At BNL, Dr. Chen will initiate laboratory research, including hiring research staff, and will collaborate with the existing BNL catalysis and electrocatalysis research groups. At Columbia, a subcontract to Dr. Chen will provide startup funding for his laboratory research, including initial graduate student costs. The research efforts will be linked under a common Catalysis Program in Sustainable Fuels. The overall impact of this project will be to strengthen the BNL catalysis science program through new linked research thrusts and the addition of an internationally distinguished catalysis scientist.

Nanoporous Silica Templated HeteroEpitaxy: Final LDRD Report.

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Burckel, David Bruce; Koleske, Daniel; Rowen, Adam M.; Williams, John Dalton; Fan, Hongyou; Arrington, Christian Lew

2006-11-01

This one-year out-of-the-box LDRD was focused on exploring the use of porous growth masks as a method for defect reduction during heteroepitaxial crystal growth. Initially our goal was to investigate porous silica as a growth mask, however, we expanded the scope of the research to include several other porous growth masks on various size scales, including mesoporous carbon, and the UV curable epoxy, SU-8. Use of SU-8 as a growth mask represents a new direction, unique in the extensive literature of patterned epitaxial growth, and presents the possibility of providing a single step growth mask. Additional research included investigation of pore viability via electrochemical deposition into high aspect ratio photoresist patterns and pilot work on using SU-8 as a DUV negative resist, another significant potential result. While the late start nature of this project pushed some of the initial research goals out of the time table, significant progress was made. 3 Acknowledgements This work was performed in part at the Nanoscience @ UNM facility, a member of the National Nanotechnology Infrastructure Network, which is supported by the National Science Foundation (Grant ECS 03-35765). Sandia is multiprogram laboratory operated by Sandia Corporation, a Lockheed Martin Company, for the United Stated Department of Energy's National Nuclear Security Administration under Contract DE-AC04-94AL85000. This work was supported under the Sandia LDRD program (Project 99405). 4

Final Report for the Virtual Reliability Realization System LDRD

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DELLIN, THEODORE A.; HENDERSON, CHRISTOPHER L.; O' TOOLE, EDWARD J.

2000-12-01

Current approaches to reliability are not adequate to keep pace with the need for faster, better and cheaper products and systems. This is especially true in high consequence of failure applications. The original proposal for the LDRD was to look at this challenge and see if there was a new paradigm that could make reliability predictions, along with a quantitative estimate of the risk in that prediction, in a way that was faster, better and cheaper. Such an approach would be based on the underlying science models that are the backbone of reliability predictions. The new paradigm would be implemented in two software tools: the Virtual Reliability Realization System (VRRS) and the Reliability Expert System (REX). The three-year LDRD was funded at a reduced level for the first year ($120K vs. $250K) and not renewed. Because of the reduced funding, we concentrated on the initial development of the expertise system. We developed an interactive semiconductor calculation tool needed for reliability analyses. We also were able to generate a basic functional system using Microsoft Siteserver Commerce Edition and Microsoft Sequel Server. The base system has the capability to store Office documents from multiple authors, and has the ability to track and charge for usage. The full outline of the knowledge model has been incorporated as well as examples of various types of content.

LDRD final report : robust analysis of large-scale combinatorial applications.

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Carr, Robert D.; Morrison, Todd (University of Colorado, Denver, CO); Hart, William Eugene; Benavides, Nicolas L. (Santa Clara University, Santa Clara, CA); Greenberg, Harvey J. (University of Colorado, Denver, CO); Watson, Jean-Paul; Phillips, Cynthia Ann

2007-09-01

Discrete models of large, complex systems like national infrastructures and complex logistics frameworks naturally incorporate many modeling uncertainties. Consequently, there is a clear need for optimization techniques that can robustly account for risks associated with modeling uncertainties. This report summarizes the progress of the Late-Start LDRD 'Robust Analysis of Largescale Combinatorial Applications'. This project developed new heuristics for solving robust optimization models, and developed new robust optimization models for describing uncertainty scenarios.

Neurons to algorithms LDRD final report.

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Rothganger, Fredrick H.; Aimone, James Bradley; Warrender, Christina E.; Trumbo, Derek

2013-09-01

Over the last three years the Neurons to Algorithms (N2A) LDRD project teams has built infrastructure to discover computational structures in the brain. This consists of a modeling language, a tool that enables model development and simulation in that language, and initial connections with the Neuroinformatics community, a group working toward similar goals. The approach of N2A is to express large complex systems like the brain as populations of a discrete part types that have specific structural relationships with each other, along with internal and structural dynamics. Such an evolving mathematical system may be able to capture the essence of neural processing, and ultimately of thought itself. This final report is a cover for the actual products of the project: the N2A Language Specification, the N2A Application, and a journal paper summarizing our methods.

Small space object imaging : LDRD final report.

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Ackermann, Mark R.; Valley, Michael T.; Kearney, Sean Patrick

2009-10-01

We report the results of an LDRD effort to investigate new technologies for the identification of small-sized (mm to cm) debris in low-earth orbit. This small-yet-energetic debris presents a threat to the integrity of space-assets worldwide and represents significant security challenge to the international community. We present a nonexhaustive review of recent US and Russian efforts to meet the challenges of debris identification and removal and then provide a detailed description of joint US-Russian plans for sensitive, laser-based imaging of small debris at distances of hundreds of kilometers and relative velocities of several kilometers per second. Plans for the upcoming experimental testing of these imaging schemes are presented and a preliminary path toward system integration is identified.

Final report on LDRD project : coupling strategies for multi-physics applications.

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Hopkins, Matthew Morgan; Moffat, Harry K.; Carnes, Brian; Hooper, Russell Warren; Pawlowski, Roger P.

2007-11-01

Many current and future modeling applications at Sandia including ASC milestones will critically depend on the simultaneous solution of vastly different physical phenomena. Issues due to code coupling are often not addressed, understood, or even recognized. The objectives of the LDRD has been both in theory and in code development. We will show that we have provided a fundamental analysis of coupling, i.e., when strong coupling vs. a successive substitution strategy is needed. We have enabled the implementation of tighter coupling strategies through additions to the NOX and Sierra code suites to make coupling strategies available now. We have leveraged existing functionality to do this. Specifically, we have built into NOX the capability to handle fully coupled simulations from multiple codes, and we have also built into NOX the capability to handle Jacobi Free Newton Krylov simulations that link multiple applications. We show how this capability may be accessed from within the Sierra Framework as well as from outside of Sierra. The critical impact from this LDRD is that we have shown how and have delivered strategies for enabling strong Newton-based coupling while respecting the modularity of existing codes. This will facilitate the use of these codes in a coupled manner to solve multi-physic applications.

Multi-target camera tracking, hand-off and display LDRD 158819 final report

International Nuclear Information System (INIS)

Anderson, Robert J.

2014-01-01

Modern security control rooms gather video and sensor feeds from tens to hundreds of cameras. Advanced camera analytics can detect motion from individual video streams and convert unexpected motion into alarms, but the interpretation of these alarms depends heavily upon human operators. Unfortunately, these operators can be overwhelmed when a large number of events happen simultaneously, or lulled into complacency due to frequent false alarms. This LDRD project has focused on improving video surveillance-based security systems by changing the fundamental focus from the cameras to the targets being tracked. If properly integrated, more cameras shouldn't lead to more alarms, more monitors, more operators, and increased response latency but instead should lead to better information and more rapid response times. For the course of the LDRD we have been developing algorithms that take live video imagery from multiple video cameras, identifies individual moving targets from the background imagery, and then displays the results in a single 3D interactive video. In this document we summarize the work in developing this multi-camera, multi-target system, including lessons learned, tools developed, technologies explored, and a description of current capability.

Multi-target camera tracking, hand-off and display LDRD 158819 final report

Energy Technology Data Exchange (ETDEWEB)

Anderson, Robert J. [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)

2014-10-01

Modern security control rooms gather video and sensor feeds from tens to hundreds of cameras. Advanced camera analytics can detect motion from individual video streams and convert unexpected motion into alarms, but the interpretation of these alarms depends heavily upon human operators. Unfortunately, these operators can be overwhelmed when a large number of events happen simultaneously, or lulled into complacency due to frequent false alarms. This LDRD project has focused on improving video surveillance-based security systems by changing the fundamental focus from the cameras to the targets being tracked. If properly integrated, more cameras shouldn't lead to more alarms, more monitors, more operators, and increased response latency but instead should lead to better information and more rapid response times. For the course of the LDRD we have been developing algorithms that take live video imagery from multiple video cameras, identifies individual moving targets from the background imagery, and then displays the results in a single 3D interactive video. In this document we summarize the work in developing this multi-camera, multi-target system, including lessons learned, tools developed, technologies explored, and a description of current capability.

Multi-Target Camera Tracking, Hand-off and Display LDRD 158819 Final Report

Energy Technology Data Exchange (ETDEWEB)

Anderson, Robert J. [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States). Robotic and Security Systems Dept.

2014-10-01

Modern security control rooms gather video and sensor feeds from tens to hundreds of cameras. Advanced camera analytics can detect motion from individual video streams and convert unexpected motion into alarms, but the interpretation of these alarms depends heavily upon human operators. Unfortunately, these operators can be overwhelmed when a large number of events happen simultaneously, or lulled into complacency due to frequent false alarms. This LDRD project has focused on improving video surveillance-based security systems by changing the fundamental focus from the cameras to the targets being tracked. If properly integrated, more cameras shouldn’t lead to more alarms, more monitors, more operators, and increased response latency but instead should lead to better information and more rapid response times. For the course of the LDRD we have been developing algorithms that take live video imagery from multiple video cameras, identify individual moving targets from the background imagery, and then display the results in a single 3D interactive video. In this document we summarize the work in developing this multi-camera, multi-target system, including lessons learned, tools developed, technologies explored, and a description of current capability.

A Case Study in Competitive Technical and Market Intelligence Support and Lessons Learned for the uChemLab LDRD Grand Challenge Project; TOPICAL

International Nuclear Information System (INIS)

SOUTHWELL, EDWIN T.; GARCIA, MARIE L.; MEYERS, CHARLES E.

2001-01-01

The(mu)ChemLab(trademark) Laboratory Directed Research and Development (LDRD) Grand Challenge project began in October 1996 and ended in September 2000. The technical managers of the(mu)ChemLab(trademark) project and the LDRD office, with the support of a consultant, conducted a competitive technical and market demand intelligence analysis of the(mu)ChemLab(trademark). The managers used this knowledge to make project decisions and course adjustments. CTI/MDI positively impacted the project's technology development, uncovered potential technology partnerships, and supported eventual industry partner contacts. CTI/MDI analysis is now seen as due diligence and the(mu)ChemLab(trademark) project is now the model for other Sandia LDRD Grand Challenge undertakings. This document describes the CTI/MDI analysis and captures the more important ''lessons learned'' of this Grand Challenge project, as reported by the project's management team

LDRD Report: Topological Design Optimization of Convolutes in Next Generation Pulsed Power Devices.

Energy Technology Data Exchange (ETDEWEB)

Cyr, Eric C. [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); von Winckel, Gregory John [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Kouri, Drew Philip [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Gardiner, Thomas Anthony [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Ridzal, Denis [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Shadid, John N. [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Miller, Sean [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)

2017-09-01

This LDRD project was developed around the ambitious goal of applying PDE-constrained opti- mization approaches to design Z-machine components whose performance is governed by elec- tromagnetic and plasma models. This report documents the results of this LDRD project. Our differentiating approach was to use topology optimization methods developed for structural design and extend them for application to electromagnetic systems pertinent to the Z-machine. To achieve this objective a suite of optimization algorithms were implemented in the ROL library part of the Trilinos framework. These methods were applied to standalone demonstration problems and the Drekar multi-physics research application. Out of this exploration a new augmented Lagrangian approach to structural design problems was developed. We demonstrate that this approach has favorable mesh-independent performance. Both the final design and the algorithmic performance were independent of the size of the mesh. In addition, topology optimization formulations for the design of conducting networks were developed and demonstrated. Of note, this formulation was used to develop a design for the inner magnetically insulated transmission line on the Z-machine. The resulting electromagnetic device is compared with theoretically postulated designs.

THz transceiver characterization : LDRD project 139363 final report.

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Nordquist, Christopher Daniel; Wanke, Michael Clement; Cich, Michael Joseph; Reno, John Louis; Fuller, Charles T.; Wendt, Joel Robert; Lee, Mark; Grine, Albert D.

2009-09-01

LDRD Project 139363 supported experiments to quantify the performance characteristics of monolithically integrated Schottky diode + quantum cascade laser (QCL) heterodyne mixers at terahertz (THz) frequencies. These integrated mixers are the first all-semiconductor THz devices to successfully incorporate a rectifying diode directly into the optical waveguide of a QCL, obviating the conventional optical coupling between a THz local oscillator and rectifier in a heterodyne mixer system. This integrated mixer was shown to function as a true heterodyne receiver of an externally received THz signal, a breakthrough which may lead to more widespread acceptance of this new THz technology paradigm. In addition, questions about QCL mode shifting in response to temperature, bias, and external feedback, and to what extent internal frequency locking can improve stability have been answered under this project.

LDRD final report: photonic analog-to-digital converter (ADC) technology; TOPICAL

International Nuclear Information System (INIS)

Bowers, M; Deri, B; Haigh, R; Lowry, M; Sargis, P; Stafford, R; Tong, T

1999-01-01

We report on an LDRD seed program of novel technology development (started by an FY98 Engineering Tech-base project) that will enable extremely high-fidelity analog-to-digital converters for a variety of national security missions. High speed (l0+ GS/s ), high precision (l0+ bits) ADC technology requires extremely short aperture times ((approx)1ps ) with very low jitter requirements (sub 10fs ). These fundamental requirements, along with other technological barriers, are difficult to realize with electronics: However, we outline here, a way to achieve these timing apertures using a novel multi-wavelength optoelectronic short-pulse optical source. Our approach uses an optoelectronic feedback scheme with high optical Q to produce an optical pulse train with ultra-low jitter ( sub 5fs) and high amplitude stability ( and lt;10(sup 10)). This approach requires low power and can be integrated into an optoelectronic integrated circuit to minimize the size. Under this seed program we have demonstrated that the optical feedback mechanism can be used to generate a high Q resonator. This has reduced the technical risk for further development, making it an attractive candidate for outside funding

Main group adducts of carbon dioxide and related chemistry (LDRD 149938).

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Barry, Brian M. (University of New Mexico, Albuquerque, NM); Kemp, Richard Alan; Stewart, Constantine A.; Dickie, Diane A. (University of New Mexico, Albuquerque, NM)

2010-11-01

This late-start LDRD was broadly focused on the synthetic attempts to prepare novel ligands as complexing agents for main group metals for the sequestration of CO{sub 2}. In prior work we have shown that certain main group (p block elements) metals such as tin and zinc, when ligated to phosphinoamido- ligands, can bind CO{sub 2} in a novel fashion. Rather than simple insertion into the metal-nitrogen bonds to form carbamates, we have seen the highly unusual complexation of CO{sub 2} in a mode that is more similar to a chemical 'adduct' rather than complexation schemes that have been observed previously. The overarching goal in this work is to prepare more of these complexes that can (a) sequester (or bind) CO{sub 2} easily in this adduct form, and (b) be stable to chemical or electrochemical reduction designed to convert the CO{sub 2} to useful fuels or fuel precursors. The currently used phosphinoamido- ligands appear at this point to be less-stable than desired under electrochemical reduction conditions. This instability is believed due to the more delicate, reactive nature of the ligand framework system. In order to successfully capture and convert CO{sub 2} to useful organics, this instability must be addressed and solved. Work described in the late-start LDRD was designed to screen a variety of ligand/metal complexes that a priori are believed to be more stable to polar solvents and possible mild hydrolytic conditions than are the phosphinoamido-ligands. Results from ligand syntheses and metal complexation studies are reported.

Final LDRD report : advanced plastic scintillators for neutron detection.

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Vance, Andrew L.; Mascarenhas, Nicholas; O' Bryan, Greg; Mrowka, Stanley

2010-09-01

This report summarizes the results of a one-year, feasibility-scale LDRD project that was conducted with the goal of developing new plastic scintillators capable of pulse shape discrimination (PSD) for neutron detection. Copolymers composed of matrix materials such as poly(methyl methacrylate) (PMMA) and blocks containing trans-stilbene (tSB) as the scintillator component were prepared and tested for gamma/neutron response. Block copolymer synthesis utilizing tSBMA proved unsuccessful so random copolymers containing up to 30% tSB were prepared. These copolymers were found to function as scintillators upon exposure to gamma radiation; however, they did not exhibit PSD when exposed to a neutron source. This project, while falling short of its ultimate goal, demonstrated the possible utility of single-component, undoped plastics as scintillators for applications that do not require PSD.

Efficient Probability of Failure Calculations for QMU using Computational Geometry LDRD 13-0144 Final Report

Energy Technology Data Exchange (ETDEWEB)

Mitchell, Scott A. [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Ebeida, Mohamed Salah [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Romero, Vicente J. [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Swiler, Laura Painton [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Rushdi, Ahmad A. [Univ. of Texas, Austin, TX (United States); Abdelkader, Ahmad [Univ. of Maryland, College Park, MD (United States)

2015-09-01

This SAND report summarizes our work on the Sandia National Laboratory LDRD project titled "Efficient Probability of Failure Calculations for QMU using Computational Geometry" which was project #165617 and proposal #13-0144. This report merely summarizes our work. Those interested in the technical details are encouraged to read the full published results, and contact the report authors for the status of the software and follow-on projects.

Building more powerful less expensive supercomputers using Processing-In-Memory (PIM) LDRD final report.

Energy Technology Data Exchange (ETDEWEB)

Murphy, Richard C.

2009-09-01

This report details the accomplishments of the 'Building More Powerful Less Expensive Supercomputers Using Processing-In-Memory (PIM)' LDRD ('PIM LDRD', number 105809) for FY07-FY09. Latency dominates all levels of supercomputer design. Within a node, increasing memory latency, relative to processor cycle time, limits CPU performance. Between nodes, the same increase in relative latency impacts scalability. Processing-In-Memory (PIM) is an architecture that directly addresses this problem using enhanced chip fabrication technology and machine organization. PIMs combine high-speed logic and dense, low-latency, high-bandwidth DRAM, and lightweight threads that tolerate latency by performing useful work during memory transactions. This work examines the potential of PIM-based architectures to support mission critical Sandia applications and an emerging class of more data intensive informatics applications. This work has resulted in a stronger architecture/implementation collaboration between 1400 and 1700. Additionally, key technology components have impacted vendor roadmaps, and we are in the process of pursuing these new collaborations. This work has the potential to impact future supercomputer design and construction, reducing power and increasing performance. This final report is organized as follow: this summary chapter discusses the impact of the project (Section 1), provides an enumeration of publications and other public discussion of the work (Section 1), and concludes with a discussion of future work and impact from the project (Section 1). The appendix contains reprints of the refereed publications resulting from this work.

Terahertz spectral signatures :measurement and detection LDRD project 86361 final report.

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Wanke, Michael Clement; Brener, Igal; Lee, Mark

2005-11-01

LDRD Project 86361 provided support to upgrade the chemical and material spectral signature measurement and detection capabilities of Sandia National Laboratories using the terahertz (THz) portion of the electromagnetic spectrum, which includes frequencies between 0.1 to 10 THz. Under this project, a THz time-domain spectrometer was completed. This instrument measures sample absorption spectra coherently, obtaining both magnitude and phase of the absorption signal, and has shown an operating signal-to-noise ratio of 10{sub 4}. Additionally, various gas cells and a reflectometer were added to an existing high-resolution THz Fourier transform spectrometer, which greatly extend the functionality of this spectrometer. Finally, preliminary efforts to design an integrated THz transceiver based on a quantum cascade laser were begun.

Tracking of Nuclear Production using Indigenous Species: Final LDRD Report

International Nuclear Information System (INIS)

Alam, Todd Michael; Alam, Mary Kathleen; McIntyre, Sarah K.; Volk, David; Neerathilingam, Muniasamy; Luxon, Bruce A.; Ansari, G. A. Shakeel

2009-01-01

Our LDRD research project sought to develop an analytical method for detection of chemicals used in nuclear materials processing. Our approach is distinctly different than current research involving hardware-based sensors. By utilizing the response of indigenous species of plants and/or animals surrounding (or within) a nuclear processing facility, we propose tracking 'suspicious molecules' relevant to nuclear materials processing. As proof of concept, we have examined TBP, tributylphosphate, used in uranium enrichment as well as plutonium extraction from spent nuclear fuels. We will compare TBP to the TPP (triphenylphosphate) analog to determine the uniqueness of the metabonomic response. We show that there is a unique metabonomic response within our animal model to TBP. The TBP signature can further be delineated from that of TPP. We have also developed unique methods of instrumental transfer for metabonomic data sets.

Tracking of Nuclear Production using Indigenous Species: Final LDRD Report

Energy Technology Data Exchange (ETDEWEB)

Alam, Todd Michael [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States). Dept. of Electronic and Nanostructured Materials; Alam, Mary Kathleen [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States). Energetics Characterization Dept.; McIntyre, Sarah K. [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States). Dept. of Electronic and Nanostructured Materials; Volk, David [Univ. of Texas, Galveston, TX (United States). Medical Branch; Neerathilingam, Muniasamy [Univ. of Texas, Galveston, TX (United States). Medical Branch; Luxon, Bruce A. [Univ. of Texas, Galveston, TX (United States). Medical Branch; Ansari, G. A. Shakeel [Univ. of Texas, Galveston, TX (United States). Medical Branch

2009-10-01

Our LDRD research project sought to develop an analytical method for detection of chemicals used in nuclear materials processing. Our approach is distinctly different than current research involving hardware-based sensors. By utilizing the response of indigenous species of plants and/or animals surrounding (or within) a nuclear processing facility, we propose tracking 'suspicious molecules' relevant to nuclear materials processing. As proof of concept, we have examined TBP, tributylphosphate, used in uranium enrichment as well as plutonium extraction from spent nuclear fuels. We will compare TBP to the TPP (triphenylphosphate) analog to determine the uniqueness of the metabonomic response. We show that there is a unique metabonomic response within our animal model to TBP. The TBP signature can further be delineated from that of TPP. We have also developed unique methods of instrumental transfer for metabonomic data sets.

Retrospective on the Seniors' Council Tier 1 LDRD portfolio.

Energy Technology Data Exchange (ETDEWEB)

Ballard, William Parker

2012-04-01

This report describes the Tier 1 LDRD portfolio, administered by the Seniors Council between 2003 and 2011. 73 projects were sponsored over the 9 years of the portfolio at a cost of $10.5 million which includes $1.9M of a special effort in directed innovation targeted at climate change and cyber security. Two of these Tier 1 efforts were the seeds for the Grand Challenge LDRDs in Quantum Computing and Next Generation Photovoltaic conversion. A few LDRDs were terminated early when it appeared clear that the research was not going to succeed. A great many more were successful and led to full Tier 2 LDRDs or direct customer sponsorship. Over a dozen patents are in various stages of prosecution from this work, and one project is being submitted for an R and D 100 award.

Final LDRD report :ultraviolet water purification systems for rural environments and mobile applications.

Energy Technology Data Exchange (ETDEWEB)

Banas, Michael Anthony; Crawford, Mary Hagerott; Ruby, Douglas Scott; Ross, Michael P.; Nelson, Jeffrey Scott; Allerman, Andrew Alan; Boucher, Ray

2005-11-01

We present the results of a one year LDRD program that has focused on evaluating the use of newly developed deep ultraviolet LEDs in water purification. We describe our development efforts that have produced an LED-based water exposure set-up and enumerate the advances that have been made in deep UV LED performance throughout the project. The results of E. coli inactivation with 270-295 nm LEDs are presented along with an assessment of the potential for applying deep ultraviolet LED-based water purification to mobile point-of-use applications as well as to rural and international environments where the benefits of photovoltaic-powered systems can be realized.

Development of a cryogenic EOS capability for the Z Pulsed Radiation Source: Goals and accomplishments of FY97 LDRD project

International Nuclear Information System (INIS)

Hanson, D.L.; Johnston, R.R.; Asay, J.R.

1998-03-01

Experimental cryogenic capabilities are essential for the study of ICF high-gain target and weapons effects issues involving dynamic materials response at low temperatures. This report describes progress during the period 2/97-11/97 on the FY97 LDRD project ''Cryogenic EOS Capabilities on Pulsed Radiation Sources (Z Pinch)''. The goal of this project is the development of a general purpose cryogenic target system for precision EOS and shock physics measurements at liquid helium temperatures on the Z accelerator Z-pinch pulsed radiation source. Activity during the FY97 LDRD phase of this project has focused on development of a conceptual design for the cryogenic target system based on consideration of physics, operational, and safety issues, design and fabrication of principal system components, construction and instrumentation of a cryogenic test facility for off-line thermal and optical testing at liquid helium temperatures, initial thermal testing of a cryogenic target assembly, and the design of a cryogenic system interface to the Z pulsed radiation source facility. The authors discuss these accomplishments as well as elements of the project that require further work

Automated Algorithms for Quantum-Level Accuracy in Atomistic Simulations: LDRD Final Report.

Energy Technology Data Exchange (ETDEWEB)

Thompson, Aidan Patrick; Schultz, Peter Andrew; Crozier, Paul; Moore, Stan Gerald; Swiler, Laura Painton; Stephens, John Adam; Trott, Christian Robert; Foiles, Stephen Martin; Tucker, Garritt J. (Drexel University)

2014-09-01

This report summarizes the result of LDRD project 12-0395, titled "Automated Algorithms for Quantum-level Accuracy in Atomistic Simulations." During the course of this LDRD, we have developed an interatomic potential for solids and liquids called Spectral Neighbor Analysis Poten- tial (SNAP). The SNAP potential has a very general form and uses machine-learning techniques to reproduce the energies, forces, and stress tensors of a large set of small configurations of atoms, which are obtained using high-accuracy quantum electronic structure (QM) calculations. The local environment of each atom is characterized by a set of bispectrum components of the local neighbor density projected on to a basis of hyperspherical harmonics in four dimensions. The SNAP coef- ficients are determined using weighted least-squares linear regression against the full QM training set. This allows the SNAP potential to be fit in a robust, automated manner to large QM data sets using many bispectrum components. The calculation of the bispectrum components and the SNAP potential are implemented in the LAMMPS parallel molecular dynamics code. Global optimization methods in the DAKOTA software package are used to seek out good choices of hyperparameters that define the overall structure of the SNAP potential. FitSnap.py, a Python-based software pack- age interfacing to both LAMMPS and DAKOTA is used to formulate the linear regression problem, solve it, and analyze the accuracy of the resultant SNAP potential. We describe a SNAP potential for tantalum that accurately reproduces a variety of solid and liquid properties. Most significantly, in contrast to existing tantalum potentials, SNAP correctly predicts the Peierls barrier for screw dislocation motion. We also present results from SNAP potentials generated for indium phosphide (InP) and silica (SiO 2 ). We describe efficient algorithms for calculating SNAP forces and energies in molecular dynamics simulations using massively parallel computers

Final report on LDRD project: Simulation/optimization tools for system variability analysis

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R. L. Bierbaum; R. F. Billau; J. E. Campbell; K. D. Marx; R. J. Sikorski; B. M. Thompson; S. D. Wix

1999-10-01

>This work was conducted during FY98 (Proposal Number 98-0036) and FY99 (Proposal Number 99-0818) under the auspices of the Sandia National Laboratories Laboratory-Directed Research and Development (LDRD) program. Electrical simulation typically treats a single data point in the very large input space of component properties. For electrical simulation to reach its full potential as a design tool, it must be able to address the unavoidable variability and uncertainty in component properties. Component viability is strongly related to the design margin (and reliability) of the end product. During the course of this project, both tools and methodologies were developed to enable analysis of variability in the context of electrical simulation tools. Two avenues to link relevant tools were also developed, and the resultant toolset was applied to a major component.

Integrated computer control system CORBA-based simulator FY98 LDRD project final summary report

International Nuclear Information System (INIS)

Bryant, R M; Holloway, F W; Van Arsdall, P J.

1999-01-01

The CORBA-based Simulator was a Laboratory Directed Research and Development (LDRD) project that applied simulation techniques to explore critical questions about distributed control architecture. The simulator project used a three-prong approach comprised of a study of object-oriented distribution tools, computer network modeling, and simulation of key control system scenarios. This summary report highlights the findings of the team and provides the architectural context of the study. For the last several years LLNL has been developing the Integrated Computer Control System (ICCS), which is an abstract object-oriented software framework for constructing distributed systems. The framework is capable of implementing large event-driven control systems for mission-critical facilities such as the National Ignition Facility (NIF). Tools developed in this project were applied to the NIF example architecture in order to gain experience with a complex system and derive immediate benefits from this LDRD. The ICCS integrates data acquisition and control hardware with a supervisory system, and reduces the amount of new coding and testing necessary by providing prebuilt components that can be reused and extended to accommodate specific additional requirements. The framework integrates control point hardware with a supervisory system by providing the services needed for distributed control such as database persistence, system start-up and configuration, graphical user interface, status monitoring, event logging, scripting language, alert management, and access control. The design is interoperable among computers of different kinds and provides plug-in software connections by leveraging a common object request brokering architecture (CORBA) to transparently distribute software objects across the network of computers. Because object broker distribution applied to control systems is relatively new and its inherent performance is roughly threefold less than traditional point

LDRD final report : a lightweight operating system for multi-core capability class supercomputers.

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Kelly, Suzanne Marie; Hudson, Trammell B. (OS Research); Ferreira, Kurt Brian; Bridges, Patrick G. (University of New Mexico); Pedretti, Kevin Thomas Tauke; Levenhagen, Michael J.; Brightwell, Ronald Brian

2010-09-01

The two primary objectives of this LDRD project were to create a lightweight kernel (LWK) operating system(OS) designed to take maximum advantage of multi-core processors, and to leverage the virtualization capabilities in modern multi-core processors to create a more flexible and adaptable LWK environment. The most significant technical accomplishments of this project were the development of the Kitten lightweight kernel, the co-development of the SMARTMAP intra-node memory mapping technique, and the development and demonstration of a scalable virtualization environment for HPC. Each of these topics is presented in this report by the inclusion of a published or submitted research paper. The results of this project are being leveraged by several ongoing and new research projects.

High-efficiency high-energy Ka source for the critically-required maximum illumination of x-ray optics on Z using Z-petawatt-driven laser-breakout-afterburner accelerated ultrarelativistic electrons LDRD .

Energy Technology Data Exchange (ETDEWEB)

Sefkow, Adam B.; Bennett, Guy R.

2010-09-01

Under the auspices of the Science of Extreme Environments LDRD program, a <2 year theoretical- and computational-physics study was performed (LDRD Project 130805) by Guy R Bennett (formally in Center-01600) and Adam B. Sefkow (Center-01600): To investigate novel target designs by which a short-pulse, PW-class beam could create a brighter K{alpha} x-ray source than by simple, direct-laser-irradiation of a flat foil; Direct-Foil-Irradiation (DFI). The computational studies - which are still ongoing at this writing - were performed primarily on the RedStorm supercomputer at Sandia National Laboratories Albuquerque site. The motivation for a higher efficiency K{alpha} emitter was very clear: as the backlighter flux for any x-ray imaging technique on the Z accelerator increases, the signal-to-noise and signal-to-background ratios improve. This ultimately allows the imaging system to reach its full quantitative potential as a diagnostic. Depending on the particular application/experiment this would imply, for example, that the system would have reached its full design spatial resolution and thus the capability to see features that might otherwise be indiscernible with a traditional DFI-like x-ray source. This LDRD began FY09 and ended FY10.

Final LDRD report : development of advanced UV light emitters and biological agent detection strategies.

Energy Technology Data Exchange (ETDEWEB)

Figiel, Jeffrey James; Crawford, Mary Hagerott; Banas, Michael Anthony; Farrow, Darcie; Armstrong, Andrew M.; Serkland, Darwin Keith; Allerman, Andrew Alan; Schmitt, Randal L.

2007-12-01

We present the results of a three year LDRD project which has focused on the development of novel, compact, ultraviolet solid-state sources and fluorescence-based sensing platforms that apply such devices to the sensing of biological and nuclear materials. We describe our development of 270-280 nm AlGaN-based semiconductor UV LEDs with performance suitable for evaluation in biosensor platforms as well as our development efforts towards the realization of a 340 nm AlGaN-based laser diode technology. We further review our sensor development efforts, including evaluation of the efficacy of using modulated LED excitation and phase sensitive detection techniques for fluorescence detection of bio molecules and uranyl-containing compounds.

LDRD project final report : hybrid AI/cognitive tactical behavior framework for LVC.

Energy Technology Data Exchange (ETDEWEB)

Djordjevich, Donna D.; Xavier, Patrick Gordon; Brannon, Nathan Gregory; Hart, Brian E.; Hart, Derek H.; Little, Charles Quentin; Oppel, Fred John III; Linebarger, John Michael; Parker, Eric Paul

2012-01-01

This Lab-Directed Research and Development (LDRD) sought to develop technology that enhances scenario construction speed, entity behavior robustness, and scalability in Live-Virtual-Constructive (LVC) simulation. We investigated issues in both simulation architecture and behavior modeling. We developed path-planning technology that improves the ability to express intent in the planning task while still permitting an efficient search algorithm. An LVC simulation demonstrated how this enables 'one-click' layout of squad tactical paths, as well as dynamic re-planning for simulated squads and for real and simulated mobile robots. We identified human response latencies that can be exploited in parallel/distributed architectures. We did an experimental study to determine where parallelization would be productive in Umbra-based force-on-force (FOF) simulations. We developed and implemented a data-driven simulation composition approach that solves entity class hierarchy issues and supports assurance of simulation fairness. Finally, we proposed a flexible framework to enable integration of multiple behavior modeling components that model working memory phenomena with different degrees of sophistication.

Interface physics in microporous media : LDRD final report.

Energy Technology Data Exchange (ETDEWEB)

Yaklin, Melissa A.; Knutson, Chad E.; Noble, David R.; Aragon, Alicia R.; Chen, Ken Shuang; Giordano, Nicholas J. (Purdue University, West Lafayette, IN); Brooks, Carlton, F.; Pyrak-Nolte, Laura J. (Purdue University, West Lafayette, IN); Liu, Yihong (Purdue University, West Lafayette, IN)

2008-09-01

This document contains a summary of the work performed under the LDRD project entitled 'Interface Physics in Microporous Media'. The presence of fluid-fluid interfaces, which can carry non-zero stresses, distinguishes multiphase flows from more readily understood single-phase flows. In this work the physics active at these interfaces has been examined via a combined experimental and computational approach. One of the major difficulties of examining true microporous systems of the type found in filters, membranes, geologic media, etc. is the geometric uncertainty. To help facilitate the examination of transport at the pore-scale without this complication, a significant effort has been made in the area of fabrication of both two-dimensional and three-dimensional micromodels. Using these micromodels, multiphase flow experiments have been performed for liquid-liquid and liquid-gas systems. Laser scanning confocal microscopy has been utilized to provide high resolution, three-dimensional reconstructions as well as time resolved, two-dimensional reconstructions. Computational work has focused on extending lattice Boltzmann (LB) and finite element methods for probing the interface physics at the pore scale. A new LB technique has been developed that provides over 100x speed up for steady flows in complex geometries. A new LB model has been developed that allows for arbitrary density ratios, which has been a significant obstacle in applying LB to air-water flows. A new reduced order model has been developed and implemented in finite element code for examining non-equilibrium wetting in microchannel systems. These advances will enhance Sandia's ability to quantitatively probe the rich interfacial physics present in microporous systems.

Final LDRD report : science-based solutions to achieve high-performance deep-UV laser diodes.

Energy Technology Data Exchange (ETDEWEB)

Armstrong, Andrew M.; Miller, Mary A.; Crawford, Mary Hagerott; Alessi, Leonard J.; Smith, Michael L.; Henry, Tanya A.; Westlake, Karl R.; Cross, Karen Charlene; Allerman, Andrew Alan; Lee, Stephen Roger

2011-12-01

We present the results of a three year LDRD project that has focused on overcoming major materials roadblocks to achieving AlGaN-based deep-UV laser diodes. We describe our growth approach to achieving AlGaN templates with greater than ten times reduction of threading dislocations which resulted in greater than seven times enhancement of AlGaN quantum well photoluminescence and 15 times increase in electroluminescence from LED test structures. We describe the application of deep-level optical spectroscopy to AlGaN epilayers to quantify deep level energies and densities and further correlate defect properties with AlGaN luminescence efficiency. We further review our development of p-type short period superlattice structures as an approach to mitigate the high acceptor activation energies in AlGaN alloys. Finally, we describe our laser diode fabrication process, highlighting the development of highly vertical and smooth etched laser facets, as well as characterization of resulting laser heterostructures.

Computational thermal, chemical, fluid, and solid mechanics for geosystems management.

Energy Technology Data Exchange (ETDEWEB)

Davison, Scott; Alger, Nicholas; Turner, Daniel Zack; Subia, Samuel Ramirez; Carnes, Brian; Martinez, Mario J.; Notz, Patrick K.; Klise, Katherine A.; Stone, Charles Michael; Field, Richard V., Jr.; Newell, Pania; Jove-Colon, Carlos F.; Red-Horse, John Robert; Bishop, Joseph E.; Dewers, Thomas A.; Hopkins, Polly L.; Mesh, Mikhail; Bean, James E.; Moffat, Harry K.; Yoon, Hongkyu

2011-09-01

This document summarizes research performed under the SNL LDRD entitled - Computational Mechanics for Geosystems Management to Support the Energy and Natural Resources Mission. The main accomplishment was development of a foundational SNL capability for computational thermal, chemical, fluid, and solid mechanics analysis of geosystems. The code was developed within the SNL Sierra software system. This report summarizes the capabilities of the simulation code and the supporting research and development conducted under this LDRD. The main goal of this project was the development of a foundational capability for coupled thermal, hydrological, mechanical, chemical (THMC) simulation of heterogeneous geosystems utilizing massively parallel processing. To solve these complex issues, this project integrated research in numerical mathematics and algorithms for chemically reactive multiphase systems with computer science research in adaptive coupled solution control and framework architecture. This report summarizes and demonstrates the capabilities that were developed together with the supporting research underlying the models. Key accomplishments are: (1) General capability for modeling nonisothermal, multiphase, multicomponent flow in heterogeneous porous geologic materials; (2) General capability to model multiphase reactive transport of species in heterogeneous porous media; (3) Constitutive models for describing real, general geomaterials under multiphase conditions utilizing laboratory data; (4) General capability to couple nonisothermal reactive flow with geomechanics (THMC); (5) Phase behavior thermodynamics for the CO2-H2O-NaCl system. General implementation enables modeling of other fluid mixtures. Adaptive look-up tables enable thermodynamic capability to other simulators; (6) Capability for statistical modeling of heterogeneity in geologic materials; and (7) Simulator utilizes unstructured grids on parallel processing computers.

Quantitative adaptation analytics for assessing dynamic systems of systems: LDRD Final Report

Energy Technology Data Exchange (ETDEWEB)

Gauthier, John H. [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States). System Readiness & Sustainment Technologies (6133, M/S 1188); Miner, Nadine E. [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States). Military & Energy Systems Analysis (6114, M/S 1188); Wilson, Michael L. [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States). Resilience and Regulatory Effects (6921, M/S 1138); Le, Hai D. [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States). System Readiness & Sustainment Technologies (6133, M/S 1188); Kao, Gio K. [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States). Networked System Survivability & Assurance (5629, M/S 0671); Melander, Darryl J. [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States). Software Systems R& D (9525, M/S 1188); Longsine, Dennis Earl [Sandia National Laboratories, Unknown, Unknown; Vander Meer, Jr., Robert C. [SAIC, Inc., Albuquerque, NM (United States)

2015-01-01

Our society is increasingly reliant on systems and interoperating collections of systems, known as systems of systems (SoS). These SoS are often subject to changing missions (e.g., nation- building, arms-control treaties), threats (e.g., asymmetric warfare, terrorism), natural environments (e.g., climate, weather, natural disasters) and budgets. How well can SoS adapt to these types of dynamic conditions? This report details the results of a three year Laboratory Directed Research and Development (LDRD) project aimed at developing metrics and methodologies for quantifying the adaptability of systems and SoS. Work products include: derivation of a set of adaptability metrics, a method for combining the metrics into a system of systems adaptability index (SoSAI) used to compare adaptability of SoS designs, development of a prototype dynamic SoS (proto-dSoS) simulation environment which provides the ability to investigate the validity of the adaptability metric set, and two test cases that evaluate the usefulness of a subset of the adaptability metrics and SoSAI for distinguishing good from poor adaptability in a SoS. Intellectual property results include three patents pending: A Method For Quantifying Relative System Adaptability, Method for Evaluating System Performance, and A Method for Determining Systems Re-Tasking.

Real-time discriminatory sensors for water contamination events :LDRD 52595 final report.

Energy Technology Data Exchange (ETDEWEB)

Borek, Theodore Thaddeus III (; ); Carrejo-Simpkins, Kimberly; Wheeler, David Roger; Adkins, Douglas Ray; Robinson, Alex Lockwood; Irwin, Adriane Nadine; Lewis, Patrick Raymond; Goodin, Andrew M.; Shelmidine, Gregory J.; Dirk, Shawn M.; Chambers, William Clayton; Mowry, Curtis Dale (1722 Micro-Total-Analytical Systems); Showalter, Steven Kedrick

2005-10-01

The gas-phase {mu}ChemLab{trademark} developed by Sandia can detect volatile organics and semi-volatiles organics via gas phase sampling . The goal of this three year Laboratory Directed Research and Development (LDRD) project was to adapt the components and concepts used by the {mu}ChemLab{trademark} system towards the analysis of water-borne chemicals of current concern. In essence, interfacing the gas-phase {mu}ChemLab{trademark} with water to bring the significant prior investment of Sandia and the advantages of microfabrication and portable analysis to a whole new world of important analytes. These include both chemical weapons agents and their hydrolysis products and disinfection by-products such as Trihalomethanes (THMs) and haloacetic acids (HAAs). THMs and HAAs are currently regulated by EPA due to health issues, yet water utilities do not have rapid on-site methods of detection that would allow them to adjust their processes quickly; protecting consumers, meeting water quality standards, and obeying regulations more easily and with greater confidence. This report documents the results, unique hardware and devices, and methods designed during the project toward the goal stated above. It also presents and discusses the portable field system to measure THMs developed in the course of this project.

RF/microwave properties of nanotubes and nanowires : LDRD Project 105876 final report.

Energy Technology Data Exchange (ETDEWEB)

Scrymgeour, David; Lee, Mark; Hsu, Julia W. P.; Highstrete, Clark

2009-09-01

LDRD Project 105876 was a research project whose primary goal was to discover the currently unknown science underlying the basic linear and nonlinear electrodynamic response of nanotubes and nanowires in a manner that will support future efforts aimed at converting forefront nanoscience into innovative new high-frequency nanodevices. The project involved experimental and theoretical efforts to discover and understand high frequency (MHz through tens of GHz) electrodynamic response properties of nanomaterials, emphasizing nanowires of silicon, zinc oxide, and carbon nanotubes. While there is much research on DC electrical properties of nanowires, electrodynamic characteristics still represent a major new frontier in nanotechnology. We generated world-leading insight into how the low dimensionality of these nanomaterials yields sometimes desirable and sometimes problematic high-frequency properties that are outside standard model electron dynamics. In the cases of silicon nanowires and carbon nanotubes, evidence of strong disorder or glass-like charge dynamics was measured, indicating that these materials still suffer from serious inhomogeneities that limit there high frequency performance. Zinc oxide nanowires were found to obey conventional Drude dynamics. In all cases, a significant practical problem involving large impedance mismatch between the high intrinsic impedance of all nanowires and nanotubes and high-frequency test equipment had to be overcome.

Final LDRD report : development of sample preparation methods for ChIPMA-based imaging mass spectrometry of tissue samples.

Energy Technology Data Exchange (ETDEWEB)

Maharrey, Sean P.; Highley, Aaron M.; Behrens, Richard, Jr.; Wiese-Smith, Deneille

2007-12-01

The objective of this short-term LDRD project was to acquire the tools needed to use our chemical imaging precision mass analyzer (ChIPMA) instrument to analyze tissue samples. This effort was an outgrowth of discussions with oncologists on the need to find the cellular origin of signals in mass spectra of serum samples, which provide biomarkers for ovarian cancer. The ultimate goal would be to collect chemical images of biopsy samples allowing the chemical images of diseased and nondiseased sections of a sample to be compared. The equipment needed to prepare tissue samples have been acquired and built. This equipment includes an cyro-ultramicrotome for preparing thin sections of samples and a coating unit. The coating unit uses an electrospray system to deposit small droplets of a UV-photo absorbing compound on the surface of the tissue samples. Both units are operational. The tissue sample must be coated with the organic compound to enable matrix assisted laser desorption/ionization (MALDI) and matrix enhanced secondary ion mass spectrometry (ME-SIMS) measurements with the ChIPMA instrument Initial plans to test the sample preparation using human tissue samples required development of administrative procedures beyond the scope of this LDRD. Hence, it was decided to make two types of measurements: (1) Testing the spatial resolution of ME-SIMS by preparing a substrate coated with a mixture of an organic matrix and a bio standard and etching a defined pattern in the coating using a liquid metal ion beam, and (2) preparing and imaging C. elegans worms. Difficulties arose in sectioning the C. elegans for analysis and funds and time to overcome these difficulties were not available in this project. The facilities are now available for preparing biological samples for analysis with the ChIPMA instrument. Some further investment of time and resources in sample preparation should make this a useful tool for chemical imaging applications.

Noncontact surface thermometry for microsystems: LDRD final report.

Energy Technology Data Exchange (ETDEWEB)

Abel, Mark (Georgia Institute of Technology, Atlanta, GA); Beecham, Thomas (Georgia Institute of Technology, Atlanta, GA); Graham, Samuel (Georgia Institute of Technology, Atlanta, GA); Kearney, Sean Patrick; Serrano, Justin Raymond; Phinney, Leslie Mary

2006-10-01

We describe a Laboratory Directed Research and Development (LDRD) effort to develop and apply laser-based thermometry diagnostics for obtaining spatially resolved temperature maps on working microelectromechanical systems (MEMS). The goal of the effort was to cultivate diagnostic approaches that could adequately resolve the extremely fine MEMS device features, required no modifications to MEMS device design, and which did not perturb the delicate operation of these extremely small devices. Two optical diagnostics were used in this study: microscale Raman spectroscopy and microscale thermoreflectance. Both methods use a low-energy, nonperturbing probe laser beam, whose arbitrary wavelength can be selected for a diffraction-limited focus that meets the need for micron-scale spatial resolution. Raman is exploited most frequently, as this technique provides a simple and unambiguous measure of the absolute device temperature for most any MEMS semiconductor or insulator material under steady state operation. Temperatures are obtained from the spectral position and width of readily isolated peaks in the measured Raman spectra with a maximum uncertainty near {+-}10 K and a spatial resolution of about 1 micron. Application of the Raman technique is demonstrated for V-shaped and flexure-style polycrystalline silicon electrothermal actuators, and for a GaN high-electron-mobility transistor. The potential of the Raman technique for simultaneous measurement of temperature and in-plane stress in silicon MEMS is also demonstrated and future Raman-variant diagnostics for ultra spatio-temporal resolution probing are discussed. Microscale thermoreflectance has been developed as a complement for the primary Raman diagnostic. Thermoreflectance exploits the small-but-measurable temperature dependence of surface optical reflectivity for diagnostic purposes. The temperature-dependent reflectance behavior of bulk silicon, SUMMiT-V polycrystalline silicon films and metal surfaces is

Laboratory Directed Research and Development (LDRD) on Mono-uranium Nitride Fuel Development for SSTAR and Space Applications

International Nuclear Information System (INIS)

Choi, J; Ebbinghaus, B; Meiers, T; Ahn, J

2006-01-01

The US National Energy Policy of 2001 advocated the development of advanced fuel and fuel cycle technologies that are cleaner, more efficient, less waste-intensive, and more proliferation resistant. The need for advanced fuel development is emphasized in on-going DOE-supported programs, e.g., Global Nuclear Energy Initiative (GNEI), Advanced Fuel Cycle Initiative (AFCI), and GEN-IV Technology Development. The Directorates of Energy and Environment (E and E) and Chemistry and Material Sciences (C and MS) at Lawrence Livermore National Laboratory (LLNL) are interested in advanced fuel research and manufacturing using its multi-disciplinary capability and facilities to support a design concept of a small, secure, transportable, and autonomous reactor (SSTAR). The E and E and C and MS Directorates co-sponsored this Laboratory Directed Research and Development (LDRD) Project on Mono-Uranium Nitride Fuel Development for SSTAR and Space Applications. In fact, three out of the six GEN-IV reactor concepts consider using the nitride-based fuel, as shown in Table 1. SSTAR is a liquid-metal cooled, fast reactor. It uses nitride fuel in a sealed reactor vessel that could be shipped to the user and returned to the supplier having never been opened in its long operating lifetime. This sealed reactor concept envisions no fuel refueling nor on-site storage of spent fuel, and as a result, can greatly enhance proliferation resistance. However, the requirement for a sealed, long-life core imposes great challenges to research and development of the nitride fuel and its cladding. Cladding is an important interface between the fuel and coolant and a barrier to prevent fission gas release during normal and accidental conditions. In fabricating the nitride fuel rods and assemblies, the cladding material should be selected based on its the coolant-side corrosion properties, the chemical/physical interaction with the nitride fuel, as well as their thermal and neutronic properties. The US

Microwave to millimeter-wave electrodynamic response and applications of semiconductor nanostructures: LDRD project 67025 final report.

Energy Technology Data Exchange (ETDEWEB)

Shaner, Eric Arthur; Lee, Mark; Averitt, R. D. (Los Alamos National Laboratory); Highstrete, Clark; Taylor, A. J. (Los Alamos National Laboratory); Padilla, W. J. (Los Alamos National Laboratory); Reno, John Louis; Wanke, Michael Clement; Allen, S. James (University of California Santa Barbara)

2006-11-01

Solid-state lighting (SSL) technologies, based on semiconductor light emitting devices, have the potential to reduce worldwide electricity consumption by more than 10%, which could significantly reduce U.S. dependence on imported energy and improve energy security. The III-nitride (AlGaInN) materials system forms the foundation for white SSL and could cover a wide spectral range from the deep UV to the infrared. For this LDRD program, we have investigated the synthesis of single-crystalline III-nitride nanowires and heterostructure nanowires, which may possess unique optoelectronic properties. These novel structures could ultimately lead to the development of novel and highly efficient SSL nanodevice applications. GaN and III-nitride core-shell heterostructure nanowires were successfully synthesized by metal organic chemical vapor deposition (MOCVD) on two-inch wafer substrates. The effect of process conditions on nanowire growth was investigated, and characterization of the structural, optical, and electrical properties of the nanowires was also performed.

Network discovery, characterization, and prediction : a grand challenge LDRD final report.

Energy Technology Data Exchange (ETDEWEB)

Kegelmeyer, W. Philip, Jr.

2010-11-01

This report is the final summation of Sandia's Grand Challenge LDRD project No.119351, 'Network Discovery, Characterization and Prediction' (the 'NGC') which ran from FY08 to FY10. The aim of the NGC, in a nutshell, was to research, develop, and evaluate relevant analysis capabilities that address adversarial networks. Unlike some Grand Challenge efforts, that ambition created cultural subgoals, as well as technical and programmatic ones, as the insistence on 'relevancy' required that the Sandia informatics research communities and the analyst user communities come to appreciate each others needs and capabilities in a very deep and concrete way. The NGC generated a number of technical, programmatic, and cultural advances, detailed in this report. There were new algorithmic insights and research that resulted in fifty-three refereed publications and presentations; this report concludes with an abstract-annotated bibliography pointing to them all. The NGC generated three substantial prototypes that not only achieved their intended goals of testing our algorithmic integration, but which also served as vehicles for customer education and program development. The NGC, as intended, has catalyzed future work in this domain; by the end it had already brought in, in new funding, as much funding as had been invested in it. Finally, the NGC knit together previously disparate research staff and user expertise in a fashion that not only addressed our immediate research goals, but which promises to have created an enduring cultural legacy of mutual understanding, in service of Sandia's national security responsibilities in cybersecurity and counter proliferation.

Analysis of electromagnetic scattering by nearly periodic structures: an LDRD report.

Energy Technology Data Exchange (ETDEWEB)

Johnson, William Arthur; Warne, Larry Kevin; Jorgenson, Roy Eberhardt; Wilton, Donald R. (University of Houston, Houston, TX); Basilio, Lorena I.; Peters, David William; Capolino, F. (University of Houston, Houston, TX)

2006-10-01

In this LDRD we examine techniques to analyze the electromagnetic scattering from structures that are nearly periodic. Nearly periodic could mean that one of the structure's unit cells is different from all the others--a defect. It could also mean that the structure is truncated, or butted up against another periodic structure to form a seam. Straightforward electromagnetic analysis of these nearly periodic structures requires us to grid the entire structure, which would overwhelm today's computers and the computers in the foreseeable future. In this report we will examine various approximations that allow us to continue to exploit some aspects of the structure's periodicity and thereby reduce the number of unknowns required for analysis. We will use the Green's Function Interpolation with a Fast Fourier Transform (GIFFT) to examine isolated defects both in the form of a source dipole over a meta-material slab and as a rotated dipole in a finite array of dipoles. We will look at the numerically exact solution of a one-dimensional seam. In order to solve a two-dimensional seam, we formulate an efficient way to calculate the Green's function of a 1d array of point sources. We next formulate ways of calculating the far-field due to a seam and due to array truncation based on both array theory and high-frequency asymptotic methods. We compare the high-frequency and GIFFT results. Finally, we use GIFFT to solve a simple, two-dimensional seam problem.

Simulations of the interaction of intense petawatt laser pulses with dense Z-pinch plasmas : final report LDRD 39670

International Nuclear Information System (INIS)

Welch, Dale Robert; MacFarlane, Joseph John; Mehlhorn, Thomas Alan; Campbell, Robert B.

2004-01-01

We have studied the feasibility of using the 3D fully electromagnetic implicit hybrid particle code LSP (Large Scale Plasma) to study laser plasma interactions with dense, compressed plasmas like those created with Z, and which might be created with the planned ZR. We have determined that with the proper additional physics and numerical algorithms developed during the LDRD period, LSP was transformed into a unique platform for studying such interactions. Its uniqueness stems from its ability to consider realistic compressed densities and low initial target temperatures (if required), an ability that conventional PIC codes do not possess. Through several test cases, validations, and applications to next generation machines described in this report, we have established the suitability of the code to look at fast ignition issues for ZR, as well as other high-density laser plasma interaction problems relevant to the HEDP program at Sandia (e.g. backlighting)

Electro-Thermal-Mechanical Simulation Capability Final Report

International Nuclear Information System (INIS)

White, D

2008-01-01

This is the Final Report for LDRD 04-ERD-086, 'Electro-Thermal-Mechanical Simulation Capability'. The accomplishments are well documented in five peer-reviewed publications and six conference presentations and hence will not be detailed here. The purpose of this LDRD was to research and develop numerical algorithms for three-dimensional (3D) Electro-Thermal-Mechanical simulations. LLNL has long been a world leader in the area of computational mechanics, and recently several mechanics codes have become 'multiphysics' codes with the addition of fluid dynamics, heat transfer, and chemistry. However, these multiphysics codes do not incorporate the electromagnetics that is required for a coupled Electro-Thermal-Mechanical (ETM) simulation. There are numerous applications for an ETM simulation capability, such as explosively-driven magnetic flux compressors, electromagnetic launchers, inductive heating and mixing of metals, and MEMS. A robust ETM simulation capability will enable LLNL physicists and engineers to better support current DOE programs, and will prepare LLNL for some very exciting long-term DoD opportunities. We define a coupled Electro-Thermal-Mechanical (ETM) simulation as a simulation that solves, in a self-consistent manner, the equations of electromagnetics (primarily statics and diffusion), heat transfer (primarily conduction), and non-linear mechanics (elastic-plastic deformation, and contact with friction). There is no existing parallel 3D code for simulating ETM systems at LLNL or elsewhere. While there are numerous magnetohydrodynamic codes, these codes are designed for astrophysics, magnetic fusion energy, laser-plasma interaction, etc. and do not attempt to accurately model electromagnetically driven solid mechanics. This project responds to the Engineering R and D Focus Areas of Simulation and Energy Manipulation, and addresses the specific problem of Electro-Thermal-Mechanical simulation for design and analysis of energy manipulation systems

ParaText : scalable solutions for processing and searching very large document collections : final LDRD report.

Energy Technology Data Exchange (ETDEWEB)

Crossno, Patricia Joyce; Dunlavy, Daniel M.; Stanton, Eric T.; Shead, Timothy M.

2010-09-01

This report is a summary of the accomplishments of the 'Scalable Solutions for Processing and Searching Very Large Document Collections' LDRD, which ran from FY08 through FY10. Our goal was to investigate scalable text analysis; specifically, methods for information retrieval and visualization that could scale to extremely large document collections. Towards that end, we designed, implemented, and demonstrated a scalable framework for text analysis - ParaText - as a major project deliverable. Further, we demonstrated the benefits of using visual analysis in text analysis algorithm development, improved performance of heterogeneous ensemble models in data classification problems, and the advantages of information theoretic methods in user analysis and interpretation in cross language information retrieval. The project involved 5 members of the technical staff and 3 summer interns (including one who worked two summers). It resulted in a total of 14 publications, 3 new software libraries (2 open source and 1 internal to Sandia), several new end-user software applications, and over 20 presentations. Several follow-on projects have already begun or will start in FY11, with additional projects currently in proposal.

Final Report for LDRD Project 02-FS-009 Gigapixel Surveillance Camera

Energy Technology Data Exchange (ETDEWEB)

Marrs, R E; Bennett, C L

2010-04-20

The threats of terrorism and proliferation of weapons of mass destruction add urgency to the development of new techniques for surveillance and intelligence collection. For example, the United States faces a serious and growing threat from adversaries who locate key facilities underground, hide them within other facilities, or otherwise conceal their location and function. Reconnaissance photographs are one of the most important tools for uncovering the capabilities of adversaries. However, current imaging technology provides only infrequent static images of a large area, or occasional video of a small area. We are attempting to add a new dimension to reconnaissance by introducing a capability for large area video surveillance. This capability would enable tracking of all vehicle movements within a very large area. The goal of our project is the development of a gigapixel video surveillance camera for high altitude aircraft or balloon platforms. From very high altitude platforms (20-40 km altitude) it would be possible to track every moving vehicle within an area of roughly 100 km x 100 km, about the size of the San Francisco Bay region, with a gigapixel camera. Reliable tracking of vehicles requires a ground sampling distance (GSD) of 0.5 to 1 m and a framing rate of approximately two frames per second (fps). For a 100 km x 100 km area the corresponding pixel count is 10 gigapixels for a 1-m GSD and 40 gigapixels for a 0.5-m GSD. This is an order of magnitude beyond the 1 gigapixel camera envisioned in our LDRD proposal. We have determined that an instrument of this capacity is feasible.

LDRD Final Report - Investigations of the impact of the process integration of deposited magnetic films for magnetic memory technologies on radiation-hardened CMOS devices and circuits - LDRD Project (FY99)

Energy Technology Data Exchange (ETDEWEB)

MYERS,DAVID R.; JESSING,JEFFREY R.; SPAHN,OLGA B.; SHANEYFELT,MARTY R.

2000-01-01

This project represented a coordinated LLNL-SNL collaboration to investigate the feasibility of developing radiation-hardened magnetic non-volatile memories using giant magnetoresistance (GMR) materials. The intent of this limited-duration study was to investigate whether giant magnetoresistance (GMR) materials similar to those used for magnetic tunnel junctions (MTJs) were process compatible with functioning CMOS circuits. Sandia's work on this project demonstrated that deposition of GMR materials did not affect the operation nor the radiation hardness of Sandia's rad-hard CMOS technology, nor did the integration of GMR materials and exposure to ionizing radiation affect the magnetic properties of the GMR films. Thus, following deposition of GMR films on rad-hard integrated circuits, both the circuits and the films survived ionizing radiation levels consistent with DOE mission requirements. Furthermore, Sandia developed techniques to pattern deposited GMR films without degrading the completed integrated circuits upon which they were deposited. The present feasibility study demonstrated all the necessary processing elements to allow fabrication of the non-volatile memory elements onto an existing CMOS chip, and even allow the use of embedded (on-chip) non-volatile memories for system-on-a-chip applications, even in demanding radiation environments. However, funding agencies DTRA, AIM, and DARPA did not have any funds available to support the required follow-on technology development projects that would have been required to develop functioning prototype circuits, nor were such funds available from LDRD nor from other DOE program funds.

LDRD Final Report - Investigations of the impact of the process integration of deposited magnetic films for magnetic memory technologies on radiation hardened CMOS devices and circuits - LDRD Project (FY99)

International Nuclear Information System (INIS)

Myers, David R.; Jessing, Jeffrey R.; Spahn, Olga B.; Shaneyfelt, Marty R.

2000-01-01

This project represented a coordinated LLNL-SNL collaboration to investigate the feasibility of developing radiation-hardened magnetic non-volatile memories using giant magnetoresistance (GMR) materials. The intent of this limited-duration study was to investigate whether giant magnetoresistance (GMR) materials similar to those used for magnetic tunnel junctions (MTJs) were process compatible with functioning CMOS circuits. Sandia's work on this project demonstrated that deposition of GMR materials did not affect the operation nor the radiation hardness of Sandia's rad-hard CMOS technology, nor did the integration of GMR materials and exposure to ionizing radiation affect the magnetic properties of the GMR films. Thus, following deposition of GMR films on rad-hard integrated circuits, both the circuits and the films survived ionizing radiation levels consistent with DOE mission requirements. Furthermore, Sandia developed techniques to pattern deposited GMR films without degrading the completed integrated circuits upon which they were deposited. The present feasibility study demonstrated all the necessary processing elements to allow fabrication of the non-volatile memory elements onto an existing CMOS chip, and even allow the use of embedded (on-chip) non-volatile memories for system-on-a-chip applications, even in demanding radiation environments. However, funding agencies DTRA, AIM, and DARPA did not have any funds available to support the required follow-on technology development projects that would have been required to develop functioning prototype circuits, nor were such funds available from LDRD nor from other DOE program funds

Characterize and Model Final Waste Formulations and Offgas Solids from Thermal Treatment Processes - FY-98 Final Report for LDRD 2349

Energy Technology Data Exchange (ETDEWEB)

Kessinger, Glen Frank; Nelson, Lee Orville; Grandy, Jon Drue; Zuck, Larry Douglas; Kong, Peter Chuen Sun; Anderson, Gail

1999-08-01

The purpose of LDRD #2349, Characterize and Model Final Waste Formulations and Offgas Solids from Thermal Treatment Processes, was to develop a set of tools that would allow the user to, based on the chemical composition of a waste stream to be immobilized, predict the durability (leach behavior) of the final waste form and the phase assemblages present in the final waste form. The objectives of the project were: • investigation, testing and selection of thermochemical code • development of auxiliary thermochemical database • synthesis of materials for leach testing • collection of leach data • using leach data for leach model development • thermochemical modeling The progress toward completion of these objectives and a discussion of work that needs to be completed to arrive at a logical finishing point for this project will be presented.

Three-dimensional gyrokinetic particle-in-cell simulation of plasmas on a massively parallel computer: Final report on LDRD Core Competency Project, FY 1991--FY 1993

International Nuclear Information System (INIS)

Byers, J.A.; Williams, T.J.; Cohen, B.I.; Dimits, A.M.

1994-01-01

One of the programs of the Magnetic fusion Energy (MFE) Theory and computations Program is studying the anomalous transport of thermal energy across the field lines in the core of a tokamak. We use the method of gyrokinetic particle-in-cell simulation in this study. For this LDRD project we employed massively parallel processing, new algorithms, and new algorithms, and new formal techniques to improve this research. Specifically, we sought to take steps toward: researching experimentally-relevant parameters in our simulations, learning parallel computing to have as a resource for our group, and achieving a 100 x speedup over our starting-point Cray2 simulation code's performance

Advanced proton-exchange materials for energy efficient fuel cells.

Energy Technology Data Exchange (ETDEWEB)

Fujimoto, Cy H.; Grest, Gary Stephen; Hickner, Michael A.; Cornelius, Christopher James; Staiger, Chad Lynn; Hibbs, Michael R.

2005-12-01

The ''Advanced Proton-Exchange Materials for Energy Efficient Fuel Cells'' Laboratory Directed Research and Development (LDRD) project began in October 2002 and ended in September 2005. This LDRD was funded by the Energy Efficiency and Renewable Energy strategic business unit. The purpose of this LDRD was to initiate the fundamental research necessary for the development of a novel proton-exchange membranes (PEM) to overcome the material and performance limitations of the ''state of the art'' Nafion that is used in both hydrogen and methanol fuel cells. An atomistic modeling effort was added to this LDRD in order to establish a frame work between predicted morphology and observed PEM morphology in order to relate it to fuel cell performance. Significant progress was made in the area of PEM material design, development, and demonstration during this LDRD. A fundamental understanding involving the role of the structure of the PEM material as a function of sulfonic acid content, polymer topology, chemical composition, molecular weight, and electrode electrolyte ink development was demonstrated during this LDRD. PEM materials based upon random and block polyimides, polybenzimidazoles, and polyphenylenes were created and evaluated for improvements in proton conductivity, reduced swelling, reduced O{sub 2} and H{sub 2} permeability, and increased thermal stability. Results from this work reveal that the family of polyphenylenes potentially solves several technical challenges associated with obtaining a high temperature PEM membrane. Fuel cell relevant properties such as high proton conductivity (>120 mS/cm), good thermal stability, and mechanical robustness were demonstrated during this LDRD. This report summarizes the technical accomplishments and results of this LDRD.

Chemiresistor microsensors for in-situ monitoring of volatile organic compounds : final LDRD report.

Energy Technology Data Exchange (ETDEWEB)

Thomas, Michael Loren; Hughes, Robert Clark; Kooser, Ara S.; McGrath, Lucas K.; Ho, Clifford Kuofei; Wright, Jerome L.; Davis, Chad Edward

2003-09-01

This report provides a summary of the three-year LDRD (Laboratory Directed Research and Development) project aimed at developing microchemical sensors for continuous, in-situ monitoring of volatile organic compounds. A chemiresistor sensor array was integrated with a unique, waterproof housing that allows the sensors to be operated in a variety of media including air, soil, and water. Numerous tests were performed to evaluate and improve the sensitivity, stability, and discriminatory capabilities of the chemiresistors. Field tests were conducted in California, Nevada, and New Mexico to further test and develop the sensors in actual environments within integrated monitoring systems. The field tests addressed issues regarding data acquisition, telemetry, power requirements, data processing, and other engineering requirements. Significant advances were made in the areas of polymer optimization, packaging, data analysis, discrimination, design, and information dissemination (e.g., real-time web posting of data; see www.sandia.gov/sensor). This project has stimulated significant interest among commercial and academic institutions. A CRADA (Cooperative Research and Development Agreement) was initiated in FY03 to investigate manufacturing methods, and a Work for Others contract was established between Sandia and Edwards Air Force Base for FY02-FY04. Funding was also obtained from DOE as part of their Advanced Monitoring Systems Initiative program from FY01 to FY03, and a DOE EMSP contract was awarded jointly to Sandia and INEEL for FY04-FY06. Contracts were also established for collaborative research with Brigham Young University to further evaluate, understand, and improve the performance of the chemiresistor sensors.

Final report for LDRD project 11-0783 : directed robots for increased military manpower effectiveness.

Energy Technology Data Exchange (ETDEWEB)

Rohrer, Brandon Robinson; Rothganger, Fredrick H.; Wagner, John S.; Xavier, Patrick Gordon; Morrow, James Dan

2011-09-01

The purpose of this LDRD is to develop technology allowing warfighters to provide high-level commands to their unmanned assets, freeing them to command a group of them or commit the bulk of their attention elsewhere. To this end, a brain-emulating cognition and control architecture (BECCA) was developed, incorporating novel and uniquely capable feature creation and reinforcement learning algorithms. BECCA was demonstrated on both a mobile manipulator platform and on a seven degree of freedom serial link robot arm. Existing military ground robots are almost universally teleoperated and occupy the complete attention of an operator. They may remove a soldier from harm's way, but they do not necessarily reduce manpower requirements. Current research efforts to solve the problem of autonomous operation in an unstructured, dynamic environment fall short of the desired performance. In order to increase the effectiveness of unmanned vehicle (UV) operators, we proposed to develop robots that can be 'directed' rather than remote-controlled. They are instructed and trained by human operators, rather than driven. The technical approach is modeled closely on psychological and neuroscientific models of human learning. Two Sandia-developed models are utilized in this effort: the Sandia Cognitive Framework (SCF), a cognitive psychology-based model of human processes, and BECCA, a psychophysical-based model of learning, motor control, and conceptualization. Together, these models span the functional space from perceptuo-motor abilities, to high-level motivational and attentional processes.

A bio-synthetic interface for discovery of viral entry mechanisms.

Energy Technology Data Exchange (ETDEWEB)

Gutzler, Mike; Maar, Dianna; Negrete, Oscar; Hayden, Carl C.; Sasaki, Darryl Yoshio; Stachowiak, Jeanne C.; Wang, Julia

2010-09-01

Understanding and defending against pathogenic viruses is an important public health and biodefense challenge. The focus of our LDRD project has been to uncover the mechanisms enveloped viruses use to identify and invade host cells. We have constructed interfaces between viral particles and synthetic lipid bilayers. This approach provides a minimal setting for investigating the initial events of host-virus interaction - (i) recognition of, and (ii) entry into the host via membrane fusion. This understanding could enable rational design of therapeutics that block viral entry as well as future construction of synthetic, non-proliferating sensors that detect live virus in the environment. We have observed fusion between synthetic lipid vesicles and Vesicular Stomatitis virus particles, and we have observed interactions between Nipah virus-like particles and supported lipid bilayers and giant unilamellar vesicles.

LDRD report nonlinear model reduction

Energy Technology Data Exchange (ETDEWEB)

Segalman, D.; Heinstein, M.

1997-09-01

The very general problem of model reduction of nonlinear systems was made tractable by focusing on the very large subclass consisting of linear subsystems connected by nonlinear interfaces. Such problems constitute a large part of the nonlinear structural problems encountered in addressing the Sandia missions. A synthesis approach to this class of problems was developed consisting of: detailed modeling of the interface mechanics; collapsing the interface simulation results into simple nonlinear interface models; constructing system models by assembling model approximations of the linear subsystems and the nonlinear interface models. These system models, though nonlinear, would have very few degrees of freedom. A paradigm problem, that of machine tool vibration, was selected for application of the reduction approach outlined above. Research results achieved along the way as well as the overall modeling of a specific machine tool have been very encouraging. In order to confirm the interface models resulting from simulation, it was necessary to develop techniques to deduce interface mechanics from experimental data collected from the overall nonlinear structure. A program to develop such techniques was also pursued with good success.

Advances in radiation modeling in ALEGRA :a final report for LDRD-67120, efficient implicit mulitgroup radiation calculations.

Energy Technology Data Exchange (ETDEWEB)

Mehlhorn, Thomas Alan; Kurecka, Christopher J. (University of Michigan, Ann Arbor, MI); McClarren, Ryan (University of Michigan, Ann Arbor, MI); Brunner, Thomas A.; Holloway, James Paul (University of Michigan, Ann Arbor, MI)

2005-11-01

The original LDRD proposal was to use a nonlinear diffusion solver to compute estimates for the material temperature that could then be used in a Implicit Monte Carlo (IMC) calculation. At the end of the first year of the project, it was determined that this was not going to be effective, partially due to the concept, and partially due to the fact that the radiation diffusion package was not as efficient as it could be. The second, and final year, of the project focused on improving the robustness and computational efficiency of the radiation diffusion package in ALEGRA. To this end, several new multigroup diffusion methods have been developed and implemented in ALEGRA. While these methods have been implemented, their effectiveness of reducing overall simulation run time has not been fully tested. Additionally a comprehensive suite of verification problems has been developed for the diffusion package to ensure that it has been implemented correctly. This process took considerable time, but exposed significant bugs in both the previous and new diffusion packages, the linear solve packages, and even the NEVADA Framework's parser. In order to manage this large suite of problem, a new tool called Tampa has been developed. It is a general tool for automating the process of running and analyzing many simulations. Ryan McClarren, at the University of Michigan has been developing a Spherical Harmonics capability for unstructured meshes. While still in the early phases of development, this promises to bridge the gap in accuracy between a full transport solution using IMC and the diffusion approximation.

Advances in radiation modeling in ALEGRA: a final report for LDRD-67120, efficient implicit multigroup radiation calculations

International Nuclear Information System (INIS)

Mehlhorn, Thomas Alan; Kurecka, Christopher J.; McClarren, Ryan; Brunner, Thomas A.; Holloway, James Paul

2005-01-01

The original LDRD proposal was to use a nonlinear diffusion solver to compute estimates for the material temperature that could then be used in a Implicit Monte Carlo (IMC) calculation. At the end of the first year of the project, it was determined that this was not going to be effective, partially due to the concept, and partially due to the fact that the radiation diffusion package was not as efficient as it could be. The second, and final year, of the project focused on improving the robustness and computational efficiency of the radiation diffusion package in ALEGRA. To this end, several new multigroup diffusion methods have been developed and implemented in ALEGRA. While these methods have been implemented, their effectiveness of reducing overall simulation run time has not been fully tested. Additionally a comprehensive suite of verification problems has been developed for the diffusion package to ensure that it has been implemented correctly. This process took considerable time, but exposed significant bugs in both the previous and new diffusion packages, the linear solve packages, and even the NEVADA Framework's parser. In order to manage this large suite of problem, a new tool called Tampa has been developed. It is a general tool for automating the process of running and analyzing many simulations. Ryan McClarren, at the University of Michigan has been developing a Spherical Harmonics capability for unstructured meshes. While still in the early phases of development, this promises to bridge the gap in accuracy between a full transport solution using IMC and the diffusion approximation

2015 Fermilab Laboratory Directed Research & Development Annual Report

Energy Technology Data Exchange (ETDEWEB)

Wester, W. [Fermi National Accelerator Lab. (FNAL), Batavia, IL (United States)

2016-05-26

The Fermi National Accelerator Laboratory (FNAL) is conducting a Laboratory Directed Research and Development (LDRD) program. Fiscal year 2015 represents the first full year of LDRD at Fermilab and includes seven projects approved mid-year in FY14 and six projects approved in FY15. One of the seven original projects has been completed just after the beginning of FY15. The implementation of LDRD at Fermilab is captured in the approved Fermilab 2015 LDRD Annual Program Plan. In FY15, the LDRD program represents 0.64% of Laboratory funding. The scope of the LDRD program at Fermilab will be established over the next couple of years where a portfolio of about 20 on-going projects representing approximately between 1% and 1.5% of the Laboratory funding is anticipated. This Annual Report focuses on the status of the current projects and provides an overview of the current status of LDRD at Fermilab.

Laboratory directed research and development annual report. Fiscal year 1994

Energy Technology Data Exchange (ETDEWEB)

NONE

1995-02-01

The Department of Energy Order DOE 5000.4A establishes DOE`s policy and guidelines regarding Laboratory Directed Research and Development (LDRD) at its multiprogram laboratories. This report represents Pacific Northwest Laboratory`s (PNL`s) LDRD report for FY 1994. During FY 1994, 161 LDRD projects were selected for support through PNL`s LDRD project selection process. Total funding allocated to these projects was $13.7 million. Consistent with the Mission Statement and Strategic Plan provided in PNL`s Institutional Plan, the LDRD investments are focused on developing new and innovative approaches in research related to our {open_quotes}core competencies.{close_quotes} Currently, PNL`s core competencies have been identified as integrated environmental research; process science and engineering; energy systems development. In this report, the individual summaries of LDRD projects (presented in Section 1.0) are organized according to these core competencies. The largest proportion of Laboratory-level LDRD funds is allocated to the core competency of integrated environmental research. Projects within the three core competency areas were approximately 91.4 % of total LDRD project funding at PNL in FY 1994. A significant proportion of PNL`s LDRD funds are also allocated to projects within the various research centers that are proposed by individual researchers or small research teams. Funding allocated to each of these projects is typically $35K or less. The projects described in this report represent PNL`s investment in its future and are vital to maintaining the ability to develop creative solutions for the scientific and technical challenges faced by DOE and the nation. The report provides an overview of PNL`s LDRD program, the management process used for the program, and project summaries for each LDRD project.

Laboratory Directed Research and Development 1998 Annual Report

Energy Technology Data Exchange (ETDEWEB)

Pam Hughes; Sheila Bennett eds.

1999-07-14

The Laboratory's Directed Research and Development (LDRD) program encourages the advancement of science and the development of major new technical capabilities from which future research and development will grow. Through LDRD funding, Pacific Northwest continually replenishes its inventory of ideas that have the potential to address major national needs. The LDRD program has enabled the Laboratory to bring to bear its scientific and technical capabilities on all of DOE's missions, particularly in the arena of environmental problems. Many of the concepts related to environmental cleanup originally developed with LDRD funds are now receiving programmatic support from DOE, LDRD-funded work in atmospheric sciences is now being applied to DOE's Atmospheric Radiation Measurement Program. We also have used concepts initially explored through LDRD to develop several winning proposals in the Environmental Management Science Program. The success of our LDRD program is founded on good management practices that ensure funding is allocated and projects are conducted in compliance with DOE requirements. We thoroughly evaluate the LDRD proposals based on their scientific and technical merit, as well as their relevance to DOE's programmatic needs. After a proposal is funded, we assess progress annually using external peer reviews. This year, as in years past, the LDRD program has once again proven to be the major enabling vehicle for our staff to formulate new ideas, advance scientific capability, and develop potential applications for DOE's most significant challenges.

2014 Fermilab Laboratory Directoed Research & Development Annual Report

Energy Technology Data Exchange (ETDEWEB)

Wester, W. [Fermi National Accelerator Lab. (FNAL), Batavia, IL (United States)

2016-05-26

After initiation by the Fermilab Laboratory Director, a team from the senior Laboratory leadership and a Laboratory Directed Research and Development (LDRD) Advisory Committee developed an implementation plan for LDRD at Fermilab for the first time. This implementation was captured in the approved Fermilab 2014 LDRD Program Plan and followed directions and guidance from the Department of Energy (DOE) order, DOE O 413.2B, a “Roles, Responsibilities, and Guidelines, …” document, and examples of best practices at other DOE Office of Science Laboratories. At Fermilab, a FY14 midyear Call for Proposals was issued. A LDRD Selection Committee evaluated those proposals that were received and provided a recommendation to the Laboratory Director who approved seven LDRD projects. This Annual Report focuses on the status of those seven projects and provides an overview of the current status of LDRD at Fermilab. The seven FY14 LDRD approved projects had a date of initiation late in FY14 such that this report reflects approximately six months of effort approximately through January 2015. The progress of these seven projects, the subsequent award of six additional new projects beginning in FY15, and preparations for the issuance of the FY16 Call for Proposals indicates that LDRD is now integrated into the overall annual program at Fermilab. All indications are that LDRD is improving the scientific and technical vitality of the Laboratory and providing new, novel, or cutting edge projects carried out at the forefront of science and technology and aligned with the mission and strategic visions of Fermilab and the Department of Energy.

Laboratory Directed Research and Development FY2008 Annual Report

International Nuclear Information System (INIS)

Kammeraad, J.E.; Jackson, K.J.; Sketchley, J.A.; Kotta, P.R.

2009-01-01

The Laboratory Directed Research and Development (LDRD) Program, authorized by Congress in 1991 and administered by the Institutional Science and Technology Office at Lawrence Livermore, is our primary means for pursuing innovative, long-term, high-risk, and potentially high-payoff research that supports the full spectrum of national security interests encompassed by the missions of the Laboratory, the Department of Energy, and National Nuclear Security Administration. The accomplishments described in this annual report demonstrate the strong alignment of the LDRD portfolio with these missions and contribute to the Laboratory's success in meeting its goals. The LDRD budget of $91.5 million for fiscal year 2008 sponsored 176 projects. These projects were selected through an extensive peer-review process to ensure the highest scientific quality and mission relevance. Each year, the number of deserving proposals far exceeds the funding available, making the selection a tough one indeed. Our ongoing investments in LDRD have reaped long-term rewards for the Laboratory and the nation. Many Laboratory programs trace their roots to research thrusts that began several years ago under LDRD sponsorship. In addition, many LDRD projects contribute to more than one mission area, leveraging the Laboratory's multidisciplinary team approach to science and technology. Safeguarding the nation from terrorist activity and the proliferation of weapons of mass destruction will be an enduring mission of this Laboratory, for which LDRD will continue to play a vital role. The LDRD Program is a success story. Our projects continue to win national recognition for excellence through prestigious awards, papers published in peer-reviewed journals, and patents granted. With its reputation for sponsoring innovative projects, the LDRD Program is also a major vehicle for attracting and retaining the best and the brightest technical staff and for establishing collaborations with universities

Laboratory Directed Research and Development annual report, Fiscal year 1993

International Nuclear Information System (INIS)

1994-01-01

The Department of Energy Order DOE 5000.4A establishes DOE's policy and guidelines regarding Laboratory Directed Research and Development (LDRD) at its multiprogram laboratories. As described in 5000.4A, LDRD is ''research and development of a creative and innovative nature which is selected by the Laboratory Director or his or her designee, for the purpose of maintaining the scientific and technological vitality of the Laboratory and to respond to scientific and technological opportunities in conformance with the guidelines in this Order. LDRD includes activities previously defined as ER ampersand D, as well as other discretionary research and development activities not provided for in a DOE program.'' Consistent with the Mission Statement and Strategic Plan provided in PNL's Institutional Plan, the LDRD investments are focused on developing new and innovative approaches in research related to our ''core competencies.'' Currently, PNL's core competencies have been identified as integrated environmental research; process technology; energy systems research. In this report, the individual summaries of Laboratory-level LDRD projects are organized according to these core competencies. The largest proportion of Laboratory-level LDRD funds is allocated to the core competency of integrated environmental research. A significant proportion of PNL's LDRD funds are also allocated to projects within the various research centers that are proposed by individual researchers or small research teams. The projects are described in Section 2.0. The projects described in this report represent PNL's investment in its future and are vital to maintaining the ability to develop creative solutions for the scientific and technical challenges faced by DOE and the nation. In accordance with DOE guidelines, the report provides an overview of PNL's LDRD program and the management process used for the program and project summaries for each LDRD project

Laboratory Directed Research and Development annual report, Fiscal year 1993

Energy Technology Data Exchange (ETDEWEB)

1994-01-01

The Department of Energy Order DOE 5000.4A establishes DOE`s policy and guidelines regarding Laboratory Directed Research and Development (LDRD) at its multiprogram laboratories. As described in 5000.4A, LDRD is ``research and development of a creative and innovative nature which is selected by the Laboratory Director or his or her designee, for the purpose of maintaining the scientific and technological vitality of the Laboratory and to respond to scientific and technological opportunities in conformance with the guidelines in this Order. LDRD includes activities previously defined as ER&D, as well as other discretionary research and development activities not provided for in a DOE program.`` Consistent with the Mission Statement and Strategic Plan provided in PNL`s Institutional Plan, the LDRD investments are focused on developing new and innovative approaches in research related to our ``core competencies.`` Currently, PNL`s core competencies have been identified as integrated environmental research; process technology; energy systems research. In this report, the individual summaries of Laboratory-level LDRD projects are organized according to these core competencies. The largest proportion of Laboratory-level LDRD funds is allocated to the core competency of integrated environmental research. A significant proportion of PNL`s LDRD funds are also allocated to projects within the various research centers that are proposed by individual researchers or small research teams. The projects are described in Section 2.0. The projects described in this report represent PNL`s investment in its future and are vital to maintaining the ability to develop creative solutions for the scientific and technical challenges faced by DOE and the nation. In accordance with DOE guidelines, the report provides an overview of PNL`s LDRD program and the management process used for the program and project summaries for each LDRD project.

Laboratory Directed Research and Development Annual Report for 2010

International Nuclear Information System (INIS)

Hughes, Pamela J.

2011-01-01

This report documents progress made on all LDRD-funded projects during fiscal year 2010. The projects supported by LDRD funding all have demonstrable ties to DOE missions. In addition, many of the LDRD projects are relevant to the missions of other federal agencies that sponsor work at the Laboratory. The program plays a key role in attracting the best and brightest scientific staff needed to serve the highest priority DOE mission objectives. The flexibility provided by the LDRD program allows us to make rapid decisions about projects that address emerging scientific challenges so that PNNL remains a modern research facility well into the 21st century. Individual project reports comprise the bulk of this LDRD report. The Laboratory focuses its LDRD research on scientific assets that often address more than one scientific discipline. Though multidisciplinary, each project in this report appears under one of the following primary research categories: (1) Advanced Sensors and Instrumentation; (2) Biological Sciences; (3) Chemistry; (4) Earth and Space Sciences; (5) Energy Supply and Use; and (6) Engineering and Manufacturing Processes.

Argonne National Laboratory annual report of Laboratory Directed Research and Development Program Activities FY 2009.

Energy Technology Data Exchange (ETDEWEB)

Office of the Director

2010-04-09

I am pleased to submit Argonne National Laboratory's Annual Report on its Laboratory Directed Research and Development (LDRD) activities for fiscal year 2009. Fiscal year 2009 saw a heightened focus by DOE and the nation on the need to develop new sources of energy. Argonne scientists are investigating many different sources of energy, including nuclear, solar, and biofuels, as well as ways to store, use, and transmit energy more safely, cleanly, and efficiently. DOE selected Argonne as the site for two new Energy Frontier Research Centers (EFRCs) - the Institute for Atom-Efficient Chemical Transformations and the Center for Electrical Energy Storage - and funded two other EFRCs to which Argonne is a major partner. The award of at least two of the EFRCs can be directly linked to early LDRD-funded efforts. LDRD has historically seeded important programs and facilities at the lab. Two of these facilities, the Advanced Photon Source and the Center for Nanoscale Materials, are now vital contributors to today's LDRD Program. New and enhanced capabilities, many of which relied on LDRD in their early stages, now help the laboratory pursue its evolving strategic goals. LDRD has, since its inception, been an invaluable resource for positioning the Laboratory to anticipate, and thus be prepared to contribute to, the future science and technology needs of DOE and the nation. During times of change, LDRD becomes all the more vital for facilitating the necessary adjustments while maintaining and enhancing the capabilities of our staff and facilities. Although I am new to the role of Laboratory Director, my immediate prior service as Deputy Laboratory Director for Programs afforded me continuous involvement in the LDRD program and its management. Therefore, I can attest that Argonne's program adhered closely to the requirements of DOE Order 413.2b and associated guidelines governing LDRD. Our LDRD program management continually strives to be more efficient. In

Argonne National Laboratory annual report of Laboratory Directed Research and Development Program Activities FY 2009

International Nuclear Information System (INIS)

2010-01-01

I am pleased to submit Argonne National Laboratory's Annual Report on its Laboratory Directed Research and Development (LDRD) activities for fiscal year 2009. Fiscal year 2009 saw a heightened focus by DOE and the nation on the need to develop new sources of energy. Argonne scientists are investigating many different sources of energy, including nuclear, solar, and biofuels, as well as ways to store, use, and transmit energy more safely, cleanly, and efficiently. DOE selected Argonne as the site for two new Energy Frontier Research Centers (EFRCs) - the Institute for Atom-Efficient Chemical Transformations and the Center for Electrical Energy Storage - and funded two other EFRCs to which Argonne is a major partner. The award of at least two of the EFRCs can be directly linked to early LDRD-funded efforts. LDRD has historically seeded important programs and facilities at the lab. Two of these facilities, the Advanced Photon Source and the Center for Nanoscale Materials, are now vital contributors to today's LDRD Program. New and enhanced capabilities, many of which relied on LDRD in their early stages, now help the laboratory pursue its evolving strategic goals. LDRD has, since its inception, been an invaluable resource for positioning the Laboratory to anticipate, and thus be prepared to contribute to, the future science and technology needs of DOE and the nation. During times of change, LDRD becomes all the more vital for facilitating the necessary adjustments while maintaining and enhancing the capabilities of our staff and facilities. Although I am new to the role of Laboratory Director, my immediate prior service as Deputy Laboratory Director for Programs afforded me continuous involvement in the LDRD program and its management. Therefore, I can attest that Argonne's program adhered closely to the requirements of DOE Order 413.2b and associated guidelines governing LDRD. Our LDRD program management continually strives to be more efficient. In addition to

Laboratory directed research and development annual report: Fiscal year 1992

International Nuclear Information System (INIS)

1993-01-01

The Department of Energy Order DOE 5000.4A establishes DOE's policy and guidelines regarding Laboratory Directed Research and Development (LDRD) at its multiprogram laboratories. As described in 5000.4A, LDRD is ''research and development of a creative and innovative nature which is selected by the Laboratory Director or his or her designee, for the purpose of maintaining the scientific and technological vitality of the Laboratory and to respond to scientific and technological opportunities in conformance with the guidelines in this order. Consistent with the Mission Statement and Strategic Plan provided in PNL's Institutional Plan, the LDRD investments are focused on developing new and innovative approaches to research related to our ''core competencies.'' Currently, PNL's core competencies have been identified as: integrated environmental research; process science and engineering; energy distribution and utilization. In this report, the individual summaries of Laboratory-level LDRD projects are organized according to these corecompetencies. The largest proportion of Laboratory-level LDRD funds is allocated to the core competency of integrated environmental research. The projects described in this report represent PNL's investment in its future and are vital to maintaining the ability to develop creative solutions for the scientific and technical challenges faced by DOE and the nation. The report provides an overview of PNL's LDRD program and the management process used for the program and project summaries for each LDRD project

Laboratory Directed Research and Development FY2008 Annual Report

Energy Technology Data Exchange (ETDEWEB)

Kammeraad, J E; Jackson, K J; Sketchley, J A; Kotta, P R

2009-03-24

The Laboratory Directed Research and Development (LDRD) Program, authorized by Congress in 1991 and administered by the Institutional Science and Technology Office at Lawrence Livermore, is our primary means for pursuing innovative, long-term, high-risk, and potentially high-payoff research that supports the full spectrum of national security interests encompassed by the missions of the Laboratory, the Department of Energy, and National Nuclear Security Administration. The accomplishments described in this annual report demonstrate the strong alignment of the LDRD portfolio with these missions and contribute to the Laboratory's success in meeting its goals. The LDRD budget of $91.5 million for fiscal year 2008 sponsored 176 projects. These projects were selected through an extensive peer-review process to ensure the highest scientific quality and mission relevance. Each year, the number of deserving proposals far exceeds the funding available, making the selection a tough one indeed. Our ongoing investments in LDRD have reaped long-term rewards for the Laboratory and the nation. Many Laboratory programs trace their roots to research thrusts that began several years ago under LDRD sponsorship. In addition, many LDRD projects contribute to more than one mission area, leveraging the Laboratory's multidisciplinary team approach to science and technology. Safeguarding the nation from terrorist activity and the proliferation of weapons of mass destruction will be an enduring mission of this Laboratory, for which LDRD will continue to play a vital role. The LDRD Program is a success story. Our projects continue to win national recognition for excellence through prestigious awards, papers published in peer-reviewed journals, and patents granted. With its reputation for sponsoring innovative projects, the LDRD Program is also a major vehicle for attracting and retaining the best and the brightest technical staff and for establishing collaborations with

Laboratory Directed Research and Development Program FY2011

Energy Technology Data Exchange (ETDEWEB)

none, none

2012-04-27

Berkeley Lab's research and the Laboratory Directed Research and Development (LDRD) program support DOE's Strategic Themes that are codified in DOE's 2006 Strategic Plan (DOE/CF-0010), with a primary focus on Scientific Discovery and Innovation. For that strategic theme, the Fiscal Year (FY) 2011 LDRD projects support each one of the three goals through multiple strategies described in the plan. In addition, LDRD efforts support the four goals of Energy Security, the two goals of Environmental Responsibility, and Nuclear Security (unclassified fundamental research that supports stockpile safety and nonproliferation programs). Going forward in FY 2012, the LDRD program also supports the Goals codified in the new DOE Strategic Plan of May, 2011. The LDRD program also supports Office of Science strategic plans, including the 20-year Scientific Facilities Plan and the Office of Science Strategic Plan. The research also supports the strategic directions periodically under consideration and review by the Office of Science Program Offices, such as LDRD projects germane to new research facility concepts and new fundamental science directions. Brief summares of projects and accomplishments for the period for each division are included.

Laboratory directed research and development annual report: Fiscal year 1992

Energy Technology Data Exchange (ETDEWEB)

1993-01-01

The Department of Energy Order DOE 5000.4A establishes DOE`s policy and guidelines regarding Laboratory Directed Research and Development (LDRD) at its multiprogram laboratories. As described in 5000.4A, LDRD is ``research and development of a creative and innovative nature which is selected by the Laboratory Director or his or her designee, for the purpose of maintaining the scientific and technological vitality of the Laboratory and to respond to scientific and technological opportunities in conformance with the guidelines in this order. Consistent with the Mission Statement and Strategic Plan provided in PNL`s Institutional Plan, the LDRD investments are focused on developing new and innovative approaches to research related to our ``core competencies.`` Currently, PNL`s core competencies have been identified as: integrated environmental research; process science and engineering; energy distribution and utilization. In this report, the individual summaries of Laboratory-level LDRD projects are organized according to these corecompetencies. The largest proportion of Laboratory-level LDRD funds is allocated to the core competency of integrated environmental research. The projects described in this report represent PNL`s investment in its future and are vital to maintaining the ability to develop creative solutions for the scientific and technical challenges faced by DOE and the nation. The report provides an overview of PNL`s LDRD program and the management process used for the program and project summaries for each LDRD project.

Laboratory directed research and development annual report: Fiscal year 1992

Energy Technology Data Exchange (ETDEWEB)

1993-01-01

The Department of Energy Order DOE 5000.4A establishes DOE's policy and guidelines regarding Laboratory Directed Research and Development (LDRD) at its multiprogram laboratories. As described in 5000.4A, LDRD is research and development of a creative and innovative nature which is selected by the Laboratory Director or his or her designee, for the purpose of maintaining the scientific and technological vitality of the Laboratory and to respond to scientific and technological opportunities in conformance with the guidelines in this order. Consistent with the Mission Statement and Strategic Plan provided in PNL's Institutional Plan, the LDRD investments are focused on developing new and innovative approaches to research related to our core competencies.'' Currently, PNL's core competencies have been identified as: integrated environmental research; process science and engineering; energy distribution and utilization. In this report, the individual summaries of Laboratory-level LDRD projects are organized according to these corecompetencies. The largest proportion of Laboratory-level LDRD funds is allocated to the core competency of integrated environmental research. The projects described in this report represent PNL's investment in its future and are vital to maintaining the ability to develop creative solutions for the scientific and technical challenges faced by DOE and the nation. The report provides an overview of PNL's LDRD program and the management process used for the program and project summaries for each LDRD project.

ORNLs Laboratory Directed Research and Development Program FY 2010 Annual Report

Energy Technology Data Exchange (ETDEWEB)

None, None

2011-03-01

The Laboratory Directed Research and Development (LDRD) program at Oak Ridge National Laboratory (ORNL) reports its status to the U.S. Department of Energy (DOE) in March of each year. The program operates under the authority of DOE Order 413.2B, “Laboratory Directed Research and Development” (April 19, 2006), which establishes DOE’s requirements for the program while providing the Laboratory Director broad flexibility for program implementation. LDRD funds are obtained through a charge to all Laboratory programs. This report includes summaries of all ORNL LDRD research activities supported during FY 2010. The associated FY 2010 ORNL LDRD Self-Assessment (ORNL/PPA-2011/2) provides financial data and an internal evaluation of the program’s management process.

ORNLs Laboratory Directed Research and Development Program FY 2009 Annual Report

Energy Technology Data Exchange (ETDEWEB)

None, None

2010-03-01

The Laboratory Directed Research and Development (LDRD) program at Oak Ridge National Laboratory (ORNL) reports its status to the U.S. Department of Energy (DOE) in March of each year. The program operates under the authority of DOE Order 413.2B, “Laboratory Directed Research and Development” (April 19, 2006), which establishes DOE’s requirements for the program while providing the Laboratory Director broad flexibility for program implementation. LDRD funds are obtained through a charge to all Laboratory programs. This report includes summaries all ORNL LDRD research activities supported during FY 2009. The associated FY 2009 ORNL LDRD Self-Assessment (ORNL/PPA-2010/2) provides financial data and an internal evaluation of the program’s management process.

ORNLs Laboratory Directed Research and Development Program FY 2008 Annual Report

Energy Technology Data Exchange (ETDEWEB)

None, None

2009-03-01

The Oak Ridge National Laboratory (ORNL) Laboratory Directed Research and Development (LDRD) Program reports its status to the U.S. Department of Energy (DOE) in March of each year. The program operates under the authority of DOE Order 413.2B, “Laboratory Directed Research and Development” (April 19, 2006), which establishes DOE’s requirements for the program while providing the Laboratory Director broad flexibility for program implementation. LDRD funds are obtained through a charge to all Laboratory programs. This report includes summaries all ORNL LDRD research activities supported during FY 2008. The associated FY 2008 ORNL LDRD Self-Assessment (ORNL/PPA-2008/2) provides financial data and an internal evaluation of the program’s management process.

ORNLs Laboratory Directed Research and Development Program FY 2013 Annual Report

Energy Technology Data Exchange (ETDEWEB)

None, None

2014-03-01

The Laboratory Directed Research and Development (LDRD) program at Oak Ridge National Laboratory (ORNL) reports its status to the US Department of Energy (DOE) in March of each year. The program operates under the authority of DOE Order 413.2B, “Laboratory Directed Research and Development” (April 19, 2006), which establishes DOE’s requirements for the program while providing the Laboratory Director broad flexibility for program implementation. LDRD funds are obtained through a charge to all Laboratory programs. This report includes summaries of all ORNL LDRD research activities supported during FY 2013. The associated FY 2013 ORNL LDRD Self-Assessment (ORNL/PPA-2014/2) provides financial data and an internal evaluation of the program’s management process.

ORNLs Laboratory Directed Research and Development Program FY 2012 Annual Report

Energy Technology Data Exchange (ETDEWEB)

None, None

2013-03-01

The Laboratory Directed Research and Development (LDRD) program at Oak Ridge National Laboratory (ORNL) reports its status to the US Department of Energy (DOE) in March of each year. The program operates under the authority of DOE Order 413.2B, “Laboratory Directed Research and Development” (April 19, 2006), which establishes DOE’s requirements for the program while providing the Laboratory Director broad flexibility for program implementation. LDRD funds are obtained through a charge to all Laboratory programs. This report includes summaries of all ORNL LDRD research activities supported during FY 2012. The associated FY 2012 ORNL LDRD Self-Assessment (ORNL/PPA-2012/2) provides financial data and an internal evaluation of the program’s management process.

ORNLs Laboratory Directed Research and Development Program FY 2011 Annual Report

Energy Technology Data Exchange (ETDEWEB)

None, None

2012-03-01

The Laboratory Directed Research and Development (LDRD) program at Oak Ridge National Laboratory (ORNL) reports its status to the U.S. Department of Energy (DOE) in March of each year. The program operates under the authority of DOE Order 413.2B, “Laboratory Directed Research and Development” (April 19, 2006), which establishes DOE’s requirements for the program while providing the Laboratory Director broad flexibility for program implementation. LDRD funds are obtained through a charge to all Laboratory programs. This report includes summaries of all ORNL LDRD research activities supported during FY 2011. The associated FY 2011 ORNL LDRD Self-Assessment (ORNL/PPA-2012/2) provides financial data and an internal evaluation of the program’s management process.

2016 Fermilab Laboratory Directed Research & Development Program Plan

Energy Technology Data Exchange (ETDEWEB)

Wester, W. [Fermi National Accelerator Lab. (FNAL), Batavia, IL (United States)

2016-05-25

Fermilab is executing Laboratory Directed Research and Development (LDRD) as outlined by order DOE O 413.2B in order to enhance and realize the mission of the laboratory in a manner that also supports the laboratory’s strategic objectives and the mission of the Department of Energy. LDRD funds enable scientific creativity, allow for exploration of “high risk, high payoff” research, and allow for the demonstration of new ideas, technical concepts, and devices. LDRD also has an objective of maintaining and enhancing the scientific and technical vitality of Fermilab. LDRD is able to fund employee-initiated proposals that address the current strategic objectives and better position Fermilab for future mission needs. The request for such funds is made in consideration of the investment needs, affordability, and directives from DOE and Congress. Review procedures of the proposals will insure that those proposals which most address the strategic goals of the DOE and the Laboratory or which best position Fermilab for the future will be recommended to the Laboratory Director who has responsibility for approval. The execution of each approved project will be the responsibility of the Principal Investigator, PI, who will follow existing Laboratory guidelines to ensure compliance with safety, environmental, and quality assurance practices. A Laboratory Director-appointed LDRD Coordinator will work with Committees, Laboratory Management, other Fermilab Staff, and the PI’s to oversee the implementation of policies and procedures of LDRD and provide the management and execution of this Annual Program Plan. FY16 represents third fiscal year in which LDRD has existed at Fermilab. The number of preliminary proposals (117) submitted in response to the LDRD Call for Proposals indicates very strong interest of the program within the Fermilab community. The first two Calls have resulted in thirteen active LDRD projects – and it is expected that between five and seven new

Laboratory Directed Research and Development Program FY 2006 Annual Report

Energy Technology Data Exchange (ETDEWEB)

Sjoreen, Terrence P [ORNL

2007-04-01

The Oak Ridge National Laboratory (ORNL) Laboratory Directed Research and Development (LDRD) Program reports its status to the US Departmental of Energy (DOE) in March of each year. The program operates under the authority of DOE Order 413.2B, 'Laboratory Directed Research and Development' (April 19, 2006), which establishes DOE's requirements for the program while providing the Laboratory Director broad flexibility for program implementation. LDRD funds are obtained through a charge to all Laboratory programs. This report includes summaries all ORNL LDRD research activities supported during FY 2006. The associated FY 2006 ORNL LDRD Self-Assessment (ORNL/PPA-2007/2) provides financial data about the FY 2006 projects and an internal evaluation of the program's management process.

Laboratory Directed Research and Development annual report, fiscal year 1997

Energy Technology Data Exchange (ETDEWEB)

NONE

1998-03-01

The Department of Energy Order 413.2(a) establishes DOE`s policy and guidelines regarding Laboratory Directed Research and Development (LDRD) at its multiprogram laboratories. As described in 413.2, LDRD is research and development of a creative and innovative nature which is selected by the Laboratory Director or his or her designee, for the purpose of maintaining the scientific and technological vitality of the Laboratory and to respond to scientific and technological opportunities in conformance with the guidelines in this Order. DOE Order 413.2 requires that each laboratory submit an annual report on its LDRD activities to the cognizant Secretarial Officer through the appropriate Operations Office Manager. The report provided in this document represents Pacific Northwest National Laboratory`s LDRD report for FY 1997.

Laboratory directed research and development FY98 annual report; TOPICAL

International Nuclear Information System (INIS)

Al-Ayat, R; Holzrichter, J

1999-01-01

In 1984, Congress and the Department of Energy (DOE) established the Laboratory Directed Research and Development (LDRD) Program to enable the director of a national laboratory to foster and expedite innovative research and development (R and D) in mission areas. The Lawrence Livermore National Laboratory (LLNL) continually examines these mission areas through strategic planning and shapes the LDRD Program to meet its long-term vision. The goal of the LDRD Program is to spur development of new scientific and technical capabilities that enable LLNL to respond to the challenges within its evolving mission areas. In addition, the LDRD Program provides LLNL with the flexibility to nurture and enrich essential scientific and technical competencies and enables the Laboratory to attract the most qualified scientists and engineers. The FY98 LDRD portfolio described in this annual report has been carefully structured to continue the tradition of vigorously supporting DOE and LLNL strategic vision and evolving mission areas. The projects selected for LDRD funding undergo stringent review and selection processes, which emphasize strategic relevance and require technical peer reviews of proposals by external and internal experts. These FY98 projects emphasize the Laboratory's national security needs: stewardship of the U.S. nuclear weapons stockpile, responsibility for the counter- and nonproliferation of weapons of mass destruction, development of high-performance computing, and support of DOE environmental research and waste management programs

Laboratory Directed Research and Development Program FY2016 Annual Summary of Completed Projects

Energy Technology Data Exchange (ETDEWEB)

None, None

2017-03-30

ORNL FY 2016 Annual Summary of Laboratory Directed Research and Development Program (LDRD) Completed Projects. The Laboratory Directed Research and Development (LDRD) program at ORNL operates under the authority of DOE Order 413.2C, “Laboratory Directed Research and Development” (October 22, 2015), which establishes DOE’s requirements for the program while providing the Laboratory Director broad flexibility for program implementation. The LDRD program funds are obtained through a charge to all Laboratory programs. ORNL reports its status to DOE in March of each year.

Molecular characterization of long direct repeat (LDR) sequences expressing a stable mRNA encoding for a 35-amino-acid cell-killing peptide and a cis-encoded small antisense RNA in Escherichia coli.

Science.gov (United States)

Kawano, Mitsuoki; Oshima, Taku; Kasai, Hiroaki; Mori, Hirotada

2002-07-01

Genome sequence analyses of Escherichia coli K-12 revealed four copies of long repetitive elements. These sequences are designated as long direct repeat (LDR) sequences. Three of the repeats (LDR-A, -B, -C), each approximately 500 bp in length, are located as tandem repeats at 27.4 min on the genetic map. Another copy (LDR-D), 450 bp in length and nearly identical to LDR-A, -B and -C, is located at 79.7 min, a position that is directly opposite the position of LDR-A, -B and -C. In this study, we demonstrate that LDR-D encodes a 35-amino-acid peptide, LdrD, the overexpression of which causes rapid cell killing and nucleoid condensation of the host cell. Northern blot and primer extension analysis showed constitutive transcription of a stable mRNA (approximately 370 nucleotides) encoding LdrD and an unstable cis-encoded antisense RNA (approximately 60 nucleotides), which functions as a trans-acting regulator of ldrD translation. We propose that LDR encodes a toxin-antitoxin module. LDR-homologous sequences are not pre-sent on any known plasmids but are conserved in Salmonella and other enterobacterial species.

2015 Fermilab Laboratory Directed Research & Development Program Plan

Energy Technology Data Exchange (ETDEWEB)

Wester, W., editor

2015-05-26

Fermilab is executing Laboratory Directed Research and Development (LDRD) as outlined by order DOE O 413.2B in order to enhance and realize the mission of the laboratory in a manner that also supports the laboratory’s strategic objectives and the mission of the Department of Energy. LDRD funds enable scientific creativity, allow for exploration of “high risk, high payoff” research, and allow for the demonstration of new ideas, technical concepts, and devices. LDRD also has an objective of maintaining and enhancing the scientific and technical vitality of Fermilab.

2014 Fermilab Laboratory Directed Research & Development Program Plan

Energy Technology Data Exchange (ETDEWEB)

Wester, W., editor

2016-05-26

Fermilab is executing Laboratory Directed Research and Development (LDRD) as outlined by order DOE O 413.2B in order to enhance and realize the mission of the laboratory in a manner that also supports the laboratory’s strategic objectives and the mission of the Department of Energy. LDRD funds enable scientific creativity, allow for exploration of “high risk, high payoff” research, and allow for the demonstration of new ideas, technical concepts, and devices. LDRD also has an objective of maintaining and enhancing the scientific and technical vitality of Fermilab.

Laboratory Directed Research and Development Program: FY 2015 Annual Report

Energy Technology Data Exchange (ETDEWEB)

SLAC,

2016-04-04

The Department of Energy (DOE) and the SLAC National Accelerator Laboratory (SLAC) encourage innovation, creativity, originality and quality to maintain the Laboratory’s research activities and staff at the forefront of science and technology. To further advance its scientific research capabilities, the Laboratory allocates a portion of its funds for the Laboratory Directed Research and Development (LDRD) program. With DOE guidance, the LDRD program enables SLAC scientists to make rapid and significant contributions that seed new strategies for solving important national science and technology problems. The LDRD program is conducted using existing research facilities.

Laboratory Directed Research and Development FY-15 Annual Report

Energy Technology Data Exchange (ETDEWEB)

Pillai, Rekha Sukamar [Idaho National Lab. (INL), Idaho Falls, ID (United States)

2016-03-01

The Laboratory Directed Research and Development (LDRD) Program at Idaho National Laboratory (INL) reports its status to the U.S. Department of Energy (DOE) by March of each year. The program operates under the authority of DOE Order 413.2B, “Laboratory Directed Research and Development” (April 19, 2006), which establishes DOE’s requirements for the program while providing the laboratory director broad flexibility for program implementation. LDRD funds are obtained through a charge to all INL programs. This report includes summaries of all INL LDRD research activities supported during Fiscal Year (FY) 2015.

Precision formed micro magnets: LDRD project summary report

Energy Technology Data Exchange (ETDEWEB)

CHRISTENSON,TODD R.; GARINO,TERRY J.; VENTURINI,EUGENE L.

2000-02-01

A microfabrication process is described that provides for the batch realization of miniature rare earth based permanent magnets. Prismatic geometry with features as small as 5 microns, thicknesses up through several hundred microns and with submicron tolerances may be accommodated. The processing is based on a molding technique using deep x-ray lithography as a means to generate high aspect-ratio precision molds from PMMA (poly methyl methacrylate) used as an x-ray photoresist. Subsequent molding of rare-earth permanent magnet (REPM) powder combined with a thermosetting plastic binder may take place directly in the PMMA mold. Further approaches generate an alumina form replicated from the PMMA mold that becomes an intermediate mold for pressing higher density REPM material and allows for higher process temperatures. Maximum energy products of 3--8 MGOe (Mega Gauss Oersted, 1 MGOe = 100/4{pi} kJ/m{sup 3}) are obtained for bonded isotropic forms of REPM with dimensions on the scale of 100 microns and up to 23 MGOe for more dense anisotropic REPM material using higher temperature processing. The utility of miniature precision REPMs is revealed by the demonstration of a miniature multipole brushless DC motor that possesses a pole-anisotropic rotor with dimensions that would otherwise prohibit multipole magnetization using a multipole magnetizing fixture at this scale. Subsequent multipole assembly also leads to miniaturized Halbach arrays, efficient magnetic microactuators, and mechanical spring-like elements which can offset miniaturized mechanical scaling behavior.

FY2007 Laboratory Directed Research and Development Annual Report

Energy Technology Data Exchange (ETDEWEB)

Craig, W W; Sketchley, J A; Kotta, P R

2008-03-20

The Laboratory Directed Research and Development (LDRD) annual report for fiscal year 2007 (FY07) provides a summary of LDRD-funded projects for the fiscal year and consists of two parts: An introduction to the LDRD Program, the LDRD portfolio-management process, program statistics for the year, and highlights of accomplishments for the year. A summary of each project, submitted by the principal investigator. Project summaries include the scope, motivation, goals, relevance to Department of Energy (DOE)/National Nuclear Security Administration (NNSA) and Lawrence Livermore National Laboratory (LLNL) mission areas, the technical progress achieved in FY07, and a list of publications that resulted from the research in FY07. Summaries are organized in sections by research category (in alphabetical order). Within each research category, the projects are listed in order of their LDRD project category: Strategic Initiative (SI), Exploratory Research (ER), Laboratory-Wide Competition (LW), and Feasibility Study (FS). Within each project category, the individual project summaries appear in order of their project tracking code, a unique identifier that consists of three elements. The first is the fiscal year the project began, the second represents the project category, and the third identifies the serial number of the proposal for that fiscal year.

LDRD HPC4Energy Wrapup Report - LDRD 12-ERD-074

Energy Technology Data Exchange (ETDEWEB)

Dube, E. [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States); Grosh, J. [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States)

2014-01-23

High-performance computing and simulation has the potential to optimize production, distribution, and conversion of energy. Although a number of concepts have been discussed, a comprehensive research project to establish and quantify the effectiveness of computing and simulation at scale to core energy problems has not been conducted. We propose to perform the basic research to adapt existing high-performance computing tools and simulation approaches to two selected classes of problems common across the energy sector. The first, applying uncertainty quantification and contingency analysis techniques to energy optimization, allows us to assess the effectiveness of LLNL core competencies to problems such as grid optimization and building-system efficiency. The second, applying adaptive meshing and numerical analysis techniques to physical problems at fine scale, could allow immediate impacts in key areas such as efficient combustion and fracture and spallation. By creating an integrated project team with the necessary expertise, we can efficiently address these issues, delivering both near-term results as well as quantifying developments needed to address future energy challenges.

Strengthening LLNL Missions through Laboratory Directed Research and Development in High Performance Computing

Energy Technology Data Exchange (ETDEWEB)

Willis, D. K. [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States)

2016-12-01

High performance computing (HPC) has been a defining strength of Lawrence Livermore National Laboratory (LLNL) since its founding. Livermore scientists have designed and used some of the world’s most powerful computers to drive breakthroughs in nearly every mission area. Today, the Laboratory is recognized as a world leader in the application of HPC to complex science, technology, and engineering challenges. Most importantly, HPC has been integral to the National Nuclear Security Administration’s (NNSA’s) Stockpile Stewardship Program—designed to ensure the safety, security, and reliability of our nuclear deterrent without nuclear testing. A critical factor behind Lawrence Livermore’s preeminence in HPC is the ongoing investments made by the Laboratory Directed Research and Development (LDRD) Program in cutting-edge concepts to enable efficient utilization of these powerful machines. Congress established the LDRD Program in 1991 to maintain the technical vitality of the Department of Energy (DOE) national laboratories. Since then, LDRD has been, and continues to be, an essential tool for exploring anticipated needs that lie beyond the planning horizon of our programs and for attracting the next generation of talented visionaries. Through LDRD, Livermore researchers can examine future challenges, propose and explore innovative solutions, and deliver creative approaches to support our missions. The present scientific and technical strengths of the Laboratory are, in large part, a product of past LDRD investments in HPC. Here, we provide seven examples of LDRD projects from the past decade that have played a critical role in building LLNL’s HPC, computer science, mathematics, and data science research capabilities, and describe how they have impacted LLNL’s mission.

Laboratory-directed research and development: FY 1996 progress report

Energy Technology Data Exchange (ETDEWEB)

Vigil, J.; Prono, J. [comps.

1997-05-01

This report summarizes the FY 1996 goals and accomplishments of Laboratory-Directed Research and Development (LDRD) projects. It gives an overview of the LDRD program, summarizes work done on individual research projects, and provides an index to the projects` principal investigators. Projects are grouped by their LDRD component: Individual Projects, Competency Development, and Program Development. Within each component, they are further divided into nine technical disciplines: (1) materials science, (2) engineering and base technologies, (3) plasmas, fluids, and particle beams, (4) chemistry, (5) mathematics and computational sciences, (6) atomic and molecular physics, (7) geoscience, space science, and astrophysics, (8) nuclear and particle physics, and (9) biosciences.

Laboratory-directed research and development: FY 1996 progress report

International Nuclear Information System (INIS)

Vigil, J.; Prono, J.

1997-05-01

This report summarizes the FY 1996 goals and accomplishments of Laboratory-Directed Research and Development (LDRD) projects. It gives an overview of the LDRD program, summarizes work done on individual research projects, and provides an index to the projects' principal investigators. Projects are grouped by their LDRD component: Individual Projects, Competency Development, and Program Development. Within each component, they are further divided into nine technical disciplines: (1) materials science, (2) engineering and base technologies, (3) plasmas, fluids, and particle beams, (4) chemistry, (5) mathematics and computational sciences, (6) atomic and molecular physics, (7) geoscience, space science, and astrophysics, (8) nuclear and particle physics, and (9) biosciences

Laboratory Directed Research and Development Annual Report FY 2017

Energy Technology Data Exchange (ETDEWEB)

Sullivan, Kelly O.

2018-03-30

A national laboratory must establish and maintain an environment in which creativity and innovation are encouraged and supported in order to fulfill its missions and remain viable in the long term. As such, multiprogram laboratories are given discretion to allocate a percentage of their operating budgets to support research and development projects that align to PNNL’s and DOE’s missions and support the missions of other federal agencies, including DHS, DOD, and others. DOE Order 413.2C sets forth DOE’s Laboratory Directed Research and Development (LDRD) policy and guidelines for DOE multiprogram laboratories, and it authorizes the national laboratories to allocate up to 6 percent of their operating budgets to fund the program. LDRD is innovative research and development, selected by the Laboratory Director or his/her designee, for the purpose of maintaining the scientific and technological vitality of the Laboratory. The projects supported by LDRD funding all have demonstrable ties to DOE/DHS missions and may also be relevant to the missions of other federal agencies that sponsor work at the Laboratory. The program plays a key role in attracting the best and brightest scientific staff, which is needed to serve the highest priority DOE mission objectives. Individual project reports comprise the bulk of this LDRD report. The Laboratory focuses its LDRD research on scientific assets that often address more than one scientific discipline.

Laboratory Directed Research and Development Annual Report FY 2016

Energy Technology Data Exchange (ETDEWEB)

Sullivan, Kelly O. [Pacific Northwest National Lab. (PNNL), Richland, WA (United States)

2017-03-30

A national laboratory must establish and maintain an environment in which creativity and innovation are encouraged and supported in order to fulfill its missions and remain viable in the long term. As such, multiprogram laboratories are given discretion to allocate a percentage of their operating budgets to support research and development projects that align to PNNL’s and DOE’s missions and support the missions of other federal agencies, including DHS, DOD, and others. DOE Order 413.2C sets forth DOE’s Laboratory Directed Research and Development (LDRD) policy and guidelines for DOE multiprogram laboratories, and it authorizes the national laboratories to allocate up to 6 percent of their operating budgets to fund the program. LDRD is innovative research and development, selected by the Laboratory Director or his/her designee, for the purpose of maintaining the scientific and technological vitality of the Laboratory. The projects supported by LDRD funding all have demonstrable ties to DOE/DHS missions and may also be relevant to the missions of other federal agencies that sponsor work at the Laboratory. The program plays a key role in attracting the best and brightest scientific staff, which is needed to serve the highest priority DOE mission objectives. Individual project reports comprise the bulk of this LDRD report. The Laboratory focuses its LDRD research on scientific assets that often address more than one scientific discipline.

Laboratory Directed Research and Development Program Assessment for FY 2015

Energy Technology Data Exchange (ETDEWEB)

Hatton, Diane [Brookhaven National Lab. (BNL), Upton, NY (United States); Barkigia, K. [Brookhaven National Lab. (BNL), Upton, NY (United States); Giacalone, P. [Brookhaven National Lab. (BNL), Upton, NY (United States)

2016-03-01

This report provides an overview of the BNL LDRD program and a summary of the management processes, project peer review, a financial overview, and the relation of the portfolio of LDRD projects to BNL's mission, initiatives, and strategic plan. Also included are a summary of success indicators and a self-assessment.

Laboratory Directed Research and Development Program Activities for FY 2008.

Energy Technology Data Exchange (ETDEWEB)

Looney,J.P.; Fox, K.

2009-04-01

Brookhaven National Laboratory (BNL) is a multidisciplinary laboratory that maintains a primary mission focus the physical sciences, energy sciences, and life sciences, with additional expertise in environmental sciences, energy technologies, and national security. It is managed by Brookhaven Science Associates, LLC, (BSA) under contract with the U. S. Department of Energy (DOE). BNL's Fiscal year 2008 budget was $531.6 million. There are about 2,800 employees, and another 4,300 guest scientists and students who come each year to use the Laboratory's facilities and work with the staff. The BNL Laboratory Directed Research and Development (LDRD) Program reports its status to the U.S. Department of Energy (DOE) annually in March, as required by DOE Order 413.2B, 'Laboratory Directed Research and Development,' April 19, 2006, and the Roles, Responsibilities, and Guidelines for Laboratory Directed Research and Developlnent at the Department of Energy/National Nuclear Security Administration Laboratories dated June 13, 2006. Accordingly, this is our Annual Report in which we describe the Purpose, Approach, Technical Progress and Results, and Specific Accomplishments of all LDRD projects that received funding during Fiscal Year 2008. BNL expended $12 million during Fiscal Year 2008 in support of 69 projects. The program has two categories, the annual Open Call LDRDs and Strategic LDRDs, which combine to meet the overall objectives of the LDRD Program. Proposals are solicited annually for review and approval concurrent with the next fiscal year, October 1. For the open call for proposals, an LDRD Selection Committee, comprised of the Associate Laboratory Directors (ALDs) for the Scientific Directorates, an equal number of scientists recommended by the Brookhaven Council, plus the Assistant Laboratory Director for Policy and Strategic Planning, review the proposals submitted in response to the solicitation. The Open Can LDRD category emphasizes innovative research concepts

LDRD final report :

Energy Technology Data Exchange (ETDEWEB)

Brost, Randolph C.; McLendon, William Clarence,

2013-01-01

Modeling geospatial information with semantic graphs enables search for sites of interest based on relationships between features, without requiring strong a priori models of feature shape or other intrinsic properties. Geospatial semantic graphs can be constructed from raw sensor data with suitable preprocessing to obtain a discretized representation. This report describes initial work toward extending geospatial semantic graphs to include temporal information, and initial results applying semantic graph techniques to SAR image data. We describe an efficient graph structure that includes geospatial and temporal information, which is designed to support simultaneous spatial and temporal search queries. We also report a preliminary implementation of feature recognition, semantic graph modeling, and graph search based on input SAR data. The report concludes with lessons learned and suggestions for future improvements.

Final LDRD report :

Energy Technology Data Exchange (ETDEWEB)

Kronawitter, Coleman X.; Antoun, Bonnie R.; Mao, Samuel S.

2012-01-01

The distinction between electricity and fuel use in analyses of global power consumption statistics highlights the critical importance of establishing efficient synthesis techniques for solar fuelsthose chemicals whose bond energies are obtained through conversion processes driven by solar energy. Photoelectrochemical (PEC) processes show potential for the production of solar fuels because of their demonstrated versatility in facilitating optoelectronic and chemical conversion processes. Tandem PEC-photovoltaic modular configurations for the generation of hydrogen from water and sunlight (solar water splitting) provide an opportunity to develop a low-cost and efficient energy conversion scheme. The critical component in devices of this type is the PEC photoelectrode, which must be optically absorptive, chemically stable, and possess the required electronic band alignment with the electrochemical scale for its charge carriers to have sufficient potential to drive the hydrogen and oxygen evolution reactions. After many decades of investigation, the primary technological obstacle remains the development of photoelectrode structures capable of efficient conversion of light with visible frequencies, which is abundant in the solar spectrum. Metal oxides represent one of the few material classes that can be made photoactive and remain stable to perform the required functions.

Final LDRD report :

Energy Technology Data Exchange (ETDEWEB)

Ambrosini, Andrea; Miller, James Edward; Allendorf, Mark D.; Coker, Eric Nicholas; Ermanoski, Ivan; Hogan, Roy E.,; McDaniel, Anthony H.

2014-01-01

Despite rapid progress, solar thermochemistry remains high risk; improvements in both active materials and reactor systems are needed. This claim is supported by studies conducted both prior to and as part of this project. Materials offer a particular large opportunity space as, until recently, very little effort apart from basic thermodynamic analysis was extended towards understanding this most fundamental component of a metal oxide thermochemical cycle. Without this knowledge, system design was hampered, but more importantly, advances in these crucial materials were rare and resulted more from intuition rather than detailed insight. As a result, only two basic families of potentially viable solid materials have been widely considered, each of which has significant challenges. Recent efforts towards applying an increased level of scientific rigor to the study of thermochemical materials have provided a much needed framework and insights toward developing the next generation of highly improved thermochemically active materials. The primary goal of this project was to apply this hard-won knowledge to rapidly advance the field of thermochemistry to produce a material within 2 years that is capable of yielding CO from CO2 at a 12.5 % reactor efficiency. Three principal approaches spanning a range of risk and potential rewards were pursued: modification of known materials, structuring known materials, and identifying/developing new materials for the application. A newly developed best-of-class material produces more fuel (9x more H2, 6x more CO) under milder conditions than the previous state of the art. Analyses of thermochemical reactor and system efficiencies and economics were performed and a new hybrid concept was reported. The larger case for solar fuels was also further refined and documented.

LDRD Final report

International Nuclear Information System (INIS)

Stewart, R.E.; Price, D.; Shepherd, R.; White, W.; Walling, R.; More, R.

1995-01-01

The goal of this project is to develop a 100-fs pulse length laser capable of heating solid density plasmas to near-kilovolt temperatures before hydrodynamic decompression of the target can take place, and to experimentally determine the properties of these plasmas with it. The authors have successfully developed the laser for this work and measured plasma production and laser absorption with it. This work has demonstrated the capacity to produce solid-density plasmas. Future experiments are described

NNSA Laboratory Directed Research and Development Program 2008 Symposium--Focus on Energy Security

Energy Technology Data Exchange (ETDEWEB)

Kotta, P R; Sketchley, J A

2008-08-20

The Laboratory Directed Research and Development (LDRD) Program was authorized by Congress in 1991 to fund leading-edge research and development central to the national laboratories core missions. LDRD anticipates and engages in projects on the forefront of science and engineering at the Department of Energy (DOE) national laboratories, and has a long history of addressing pressing national security needs at the National Nuclear Security Administration (NNSA) laboratories. LDRD has been a scientific success story, where projects continue to win national recognition for excellence through prestigious awards, papers published and cited in peer-reviewed journals, mainstream media coverage, and patents granted. The LDRD Program is also a powerful means to attract and retain top researchers from around the world, to foster collaborations with other prominent scientific and technological institutions, and to leverage some of the world's most technologically advanced assets. This enables the LDRD Program to invest in high-risk and potentially high-payoff research that creates innovative technical solutions for some of our nation's most difficult challenges. Worldwide energy demand is growing at an alarming rate, as developing nations continue to expand their industrial and economic base on the back of limited global resources. The resulting international conflicts and environmental consequences pose serious challenges not only to this nation, but to the international community as well. The NNSA and its national security laboratories have been increasingly called upon to devote their scientific and technological capabilities to help address issues that are not limited solely to the historic nuclear weapons core mission, but are more expansive and encompass a spectrum of national security missions, including energy security. This year's symposium highlights some of the exciting areas of research in alternative fuels and technology, nuclear power, carbon

Laboratory Directed Research and Development FY 1998 Progress Report

Energy Technology Data Exchange (ETDEWEB)

John Vigil; Kyle Wheeler

1999-04-01

This is the FY 1998 Progress Report for the Laboratory Directed Research and Development (LDRD) Program at Los Alamos National Laboratory. It gives an overview of the LDRD Program, summarizes work done on individual research projects, relates the projects to major Laboratory program sponsors, and provides an index to the principle investigators. Project summaries are grouped by their LDRD component: Competency Development, Program Development, and Individual Projects. Within each component, they are further grouped into nine technical categories: (1) materials science, (2) chemistry, (3) mathematics and computational science, (4) atomic, molecular, optical, and plasma physics, fluids, and particle beams, (5) engineering science, (6) instrumentation and diagnostics, (7) geoscience, space science, and astrophysics, (8) nuclear and particle physics, and (9) bioscience.

Laboratory directed research and development: FY 1997 progress report

Energy Technology Data Exchange (ETDEWEB)

Vigil, J.; Prono, J. [comps.

1998-05-01

This is the FY 1997 Progress Report for the Laboratory Directed Research and Development (LDRD) program at Los Alamos National Laboratory. It gives an overview of the LDRD program, summarizes work done on individual research projects, relates the projects to major Laboratory program sponsors, and provides an index to the principal investigators. Project summaries are grouped by their LDRD component: Competency Development, Program Development, and Individual Projects. Within each component, they are further grouped into nine technical categories: (1) materials science, (2) chemistry, (3) mathematics and computational science, (4) atomic and molecular physics and plasmas, fluids, and particle beams, (5) engineering science, (6) instrumentation and diagnostics, (7) geoscience, space science, and astrophysics, (8) nuclear and particle physics, and (9) bioscience.

Idaho National Laboratory Directed Research and Development FY-2009

Energy Technology Data Exchange (ETDEWEB)

2010-03-01

The FY 2009 Laboratory Directed Research and Development (LDRD) Annual Report is a compendium of the diverse research performed to develop and ensure the INL's technical capabilities can support the future DOE missions and national research priorities. LDRD is essential to the INL - it provides a means for the laboratory to pursue novel scientific and engineering research in areas that are deemed too basic or risky for programmatic investments. This research enhances technical capabilities at the laboratory, providing scientific and engineering staff with opportunities for skill building and partnership development. Established by Congress in 1991, LDRD proves its benefit each year through new programs, intellectual property, patents, copyrights, publications, national and international awards, and new hires from the universities and industry, which helps refresh the scientific and engineering workforce. The benefits of INL's LDRD research are many as shown in the tables below. Last year, 91 faculty members from various universities contributed to LDRD research, along with 7 post docs and 64 students. Of the total invention disclosures submitted in FY 2009, 7 are attributable to LDRD research. Sixty three refereed journal articles were accepted or published, and 93 invited presentations were attributable to LDRD research conducted in FY 2009. The LDRD Program is administered in accordance with requirements set in DOE Order 413.2B, accompanying contractor requirements, and other DOE and federal requirements invoked through the INL contract. The LDRD Program is implemented in accordance with the annual INL LDRD Program Plan, which is approved by the DOE, Nuclear Energy Program Secretarial Office. This plan outlines the method the laboratory uses to develop its research portfolio, including peer and management reviews, and the use of other INL management systems to ensure quality, financial, safety, security and environmental requirements and risks are

Integrated NEMS and optoelectronics for sensor applications.

Energy Technology Data Exchange (ETDEWEB)

Czaplewski, David A.; Serkland, Darwin Keith; Olsson, Roy H., III; Bogart, Gregory R. (Symphony Acoustics, Rio Rancho, NM); Krishnamoorthy, Uma; Warren, Mial E.; Carr, Dustin Wade (Symphony Acoustics, Rio Rancho, NM); Okandan, Murat; Peterson, Kenneth Allen

2008-01-01

This work utilized advanced engineering in several fields to find solutions to the challenges presented by the integration of MEMS/NEMS with optoelectronics to realize a compact sensor system, comprised of a microfabricated sensor, VCSEL, and photodiode. By utilizing microfabrication techniques in the realization of the MEMS/NEMS component, the VCSEL and the photodiode, the system would be small in size and require less power than a macro-sized component. The work focused on two technologies, accelerometers and microphones, leveraged from other LDRD programs. The first technology was the nano-g accelerometer using a nanophotonic motion detection system (67023). This accelerometer had measured sensitivity of approximately 10 nano-g. The Integrated NEMS and optoelectronics LDRD supported the nano-g accelerometer LDRD by providing advanced designs for the accelerometers, packaging, and a detection scheme to encapsulate the accelerometer, furthering the testing capabilities beyond bench-top tests. A fully packaged and tested die was never realized, but significant packaging issues were addressed and many resolved. The second technology supported by this work was the ultrasensitive directional microphone arrays for military operations in urban terrain and future combat systems (93518). This application utilized a diffraction-based sensing technique with different optical component placement and a different detection scheme from the nano-g accelerometer. The Integrated NEMS LDRD supported the microphone array LDRD by providing custom designs, VCSELs, and measurement techniques to accelerometers that were fabricated from the same operational principles as the microphones, but contain proof masses for acceleration transduction. These devices were packaged at the end of the work.

Laboratory Directed Research and Development FY 2000 Annual Progress Report

Energy Technology Data Exchange (ETDEWEB)

Los Alamos National Laboratory

2001-05-01

This is the FY00 Annual Progress report for the Laboratory Directed Research and Development (LDRD) Program at Los Alamos National Laboratory. It gives an overview of the LDRD Program, summarizes progress on each project conducted during FY00, characterizes the projects according to their relevance to major funding sources, and provides an index to principal investigators. Project summaries are grouped by LDRD component: Directed Research and Exploratory Research. Within each component, they are further grouped into the ten technical categories: (1) atomic, molecular, optical, and plasma physics, fluids, and beams, (2) bioscience, (3) chemistry, (4) computer science and software engineering, (5) engineering science, (6) geoscience, space science, and astrophysics, (7) instrumentation and diagnostics, (8) materials science, (9) mathematics, simulation, and modeling, and (10) nuclear and particle physics.

Laboratory Directed Research and Development Program FY 2007 Annual Report

International Nuclear Information System (INIS)

Sjoreen, Terrence P.

2008-01-01

The Oak Ridge National LaboratoryLaboratory Directed Research and Development (LDRD) program reports its status to the U.S. Department of Energy (DOE) in March of each year. The program operates under the authority of DOE Order 413.2B, 'Laboratory Directed Research and Development' (April 19, 2006), which establishes DOE's requirements for the program while providing the Laboratory Director broad flexibility for program implementation. LDRD funds are obtained through a charge to all Laboratory programs. This report includes summaries for all ORNL LDRD research activities supported during FY 2007. The associated FY 2007 ORNL LDRD Self-Assessment (ORNL/PPA-2008/2) provides financial data and an internal evaluation of the program's management process. ORNL is a DOE multiprogram science, technology, and energy laboratory with distinctive capabilities in materials science and engineering, neutron science and technology, energy production and end-use technologies, biological and environmental science, and scientific computing. With these capabilities ORNL conducts basic and applied research and development (R and D) to support DOE's overarching mission to advance the national, economic, and energy security of the United States and promote scientific and technological innovation in support of that mission. As a national resource, the Laboratory also applies its capabilities and skills to specific needs of other federal agencies and customers through the DOE Work for Others (WFO) program. Information about the Laboratory and its programs is available on the Internet at http://www.ornl.gov/. LDRD is a relatively small but vital DOE program that allows ORNL, as well as other DOE laboratories, to select a limited number of R and D projects for the purpose of: (1) maintaining the scientific and technical vitality of the Laboratory; (2) enhancing the Laboratory's ability to address future DOE missions; (3) fostering creativity and stimulating exploration of forefront science

LABORATORY DIRECTED RESEARCH AND DEVELOPMENT ANNUAL REPORT TO THE DOE - DECEMBER 2001

International Nuclear Information System (INIS)

FOX, K.J.

2001-01-01

Brookhaven National (BNL) Laboratory is a multidisciplinary laboratory that carries out basic and applied research in the physical, biomedical, and environmental sciences, and in selected energy technologies. It is managed by Brookhaven Science Associates, LLC, under contract with the U. S. Department of Energy. BNL's total annual budget has averaged about$450 million. There are about 3,000 employees, and another 4,500 guest scientists and students who come each year to use the Laboratory's facilities and work with the staff. The BNL Laboratory Directed Research and Development (LDRD) Program reports its status to the U.S. Department of Energy (DOE) annually in March, as required by DOE Order 4 13.2, ''Laboratory Directed Research and Development,'' March 5, 1997, and the LDRD Annual Report guidance, updated February 12, 1999. The LDRD Program obtains its funds through the Laboratory overhead pool and operates under the authority of DOE Order 4 13.2. The goals and objectives of BNL's LDRD Program can be inferred from the Program's stated purposes. These are to (1) encourage and support the development of new ideas and technology, (2) promote the early exploration and exploitation of creative and innovative concepts, and (3) develop new ''fundable'' R and D projects and programs. The emphasis is clearly articulated by BNL to be on supporting exploratory research ''which could lead to new programs, projects, and directions'' for the Laboratory. As one of the premier scientific laboratories of the DOE, BNL must continuously foster groundbreaking scientific research. At Brookhaven National Laboratory one such method is through its LDRD Program. This discretionary research and development tool is critical in maintaining the scientific excellence and long-term vitality of the Laboratory. Additionally, it is a means to stimulate the scientific community and foster new science and technology ideas, which becomes a major factor in achieving and maintaining staff excellence

Laboratory Directed Research and Development Program FY 2007 Annual Report

Energy Technology Data Exchange (ETDEWEB)

Sjoreen, Terrence P [ORNL

2008-04-01

The Oak Ridge National Laboratory (ORNL) Laboratory Directed Research and Development (LDRD) program reports its status to the U.S. Department of Energy (DOE) in March of each year. The program operates under the authority of DOE Order 413.2B, 'Laboratory Directed Research and Development' (April 19, 2006), which establishes DOE's requirements for the program while providing the Laboratory Director broad flexibility for program implementation. LDRD funds are obtained through a charge to all Laboratory programs. This report includes summaries for all ORNL LDRD research activities supported during FY 2007. The associated FY 2007 ORNL LDRD Self-Assessment (ORNL/PPA-2008/2) provides financial data and an internal evaluation of the program's management process. ORNL is a DOE multiprogram science, technology, and energy laboratory with distinctive capabilities in materials science and engineering, neutron science and technology, energy production and end-use technologies, biological and environmental science, and scientific computing. With these capabilities ORNL conducts basic and applied research and development (R&D) to support DOE's overarching mission to advance the national, economic, and energy security of the United States and promote scientific and technological innovation in support of that mission. As a national resource, the Laboratory also applies its capabilities and skills to specific needs of other federal agencies and customers through the DOE Work for Others (WFO) program. Information about the Laboratory and its programs is available on the Internet at http://www.ornl.gov/. LDRD is a relatively small but vital DOE program that allows ORNL, as well as other DOE laboratories, to select a limited number of R&D projects for the purpose of: (1) maintaining the scientific and technical vitality of the Laboratory; (2) enhancing the Laboratory's ability to address future DOE missions; (3) fostering creativity and stimulating

Pico-second laser materials interactions: mechanisms, material lifetime and performance optimization Ted Laurence(14-ERD-014)

Energy Technology Data Exchange (ETDEWEB)

Laurence, Ted A. [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States)

2016-12-14

Laser-induced damage with ps pulse widths straddles the transition from intrinsic, multiphoton ionization- and avalanche ionization-based ablation with fs pulses to defectdominated, thermal-based damage with ns pulses. We investigated the morphology and scaling of damage for commonly used silica and hafnia coatings as well as fused silica. Using carefully calibrated laser-induced damage experiments, in situ imaging, and high-resolution optical microscopy, atomic force microscopy, and scanning electron microscopy, we showed that defects play an important role in laser-induced damage for pulse durations as short as 1 ps. Three damage morphologies were observed: standard material ablation, ultra-high density pits, and isolated absorbers. For 10 ps and longer, the isolated absorbers limited the damage performance of the coating materials. We showed that damage resulting from the isolated absorbers grows dramatically with subsequent pulses for sufficient fluences. For hafnia coatings, we used electric field modeling and experiments to show that isolated absorbers near the surface were affected by the chemical environment (vacuum vs. air) for pulses as short as 10 ps. Coupled with the silica results, these results suggested that improvements in the performance in the 10 -60 ps range have not reached fundamental limits. These findings motivate new efforts, including a new SI LDRD in improving the laser-damage performance of multi-layer dielectric coatings. A damage test facility for ps pulses was developed and automated, and was used for testing production optics for ARC. The resulting software was transferred to other laser test facilities for fs pulses and multiple wavelengths with 30 ps pulses. Additionally, the LDRD supported the retention and promotion of an important staff scientist in high-resolution dynamic microscopy and laser-damage testing.

A Molecular Theory for Gatekeeper Proteins; FINAL

International Nuclear Information System (INIS)

FRINK, LAURA J. D.; SALINGER, ANDREW G.

1999-01-01

Predicting the behavior of ion channel proteins is important for understanding biological effects of drugs and toxins. These problems involve steady state transport of ions through very small (1-2 atoms wide) pores. FY99 LDRD funding was used to begin investigations of ion channel proteins using a molecular theory approach. Much of our efforts involved establishing the soundness of the approach by direct comparison with grand canonical molecular dynamics simulations of simple model systems. In addition, several dimensional ion channel models have been implemented to demonstrate the viability of the approach, The seed funding provided by this LDRD grant resulted in 50K of DOWOBER funds for FY99, an invitation to submit a full length 0(500K) proposal for consideration to DOWOBER, and start a larger LDRD effort in computational biophysics beginning in FY00

LABORATORY DIRECTED RESEARCH AND DEVELOPMENT ANNUAL REPORT TO THE DEPARTMENT OF ENERGY - DECEMBER 2004

Energy Technology Data Exchange (ETDEWEB)

FOX,K.J.

2004-12-31

Brookhaven National (BNL) Laboratory is a multidisciplinary laboratory that carries out basic and applied research in the physical, biomedical, and environmental sciences, and in selected energy technologies. It is managed by Brookhaven Science Associates, LLC, under contract with the U. S. Department of Energy. BNL's total annual budget has averaged about $460 million. There are about 2,800 employees, and another 4,500 guest scientists and students who come each year to use the Laboratory's facilities and work with the staff. The BNL Laboratory Directed Research and Development (LDRD) Program reports its status to the U.S. Department of Energy (DOE) annually in March, as required by DOE Order 4 13.2A, ''Laboratory Directed Research and Development,'' January 8, 2001, and the LDRD Annual Report guidance, updated February 12, 1999. The LDRD Program obtains its funds through the Laboratory overhead pool and operates under the authority of DOE Order 413.2A. The goals and objectives of BNL's LDRD Program can be inferred from the Program's stated purposes. These are to (1) encourage and support the development of new ideas and technology, (2) promote the early exploration and exploitation of creative and innovative concepts, and (3) develop new ''fundable'' R&D projects and programs. The emphasis is clearly articulated by BNL to be on supporting exploratory research ''which could lead to new programs, projects, and directions'' for the Laboratory. As one of the premier scientific laboratories of the DOE, BNL must continuously foster groundbreaking scientific research. At Brookhaven National Laboratory one such method is through its LDRD Program. This discretionary research and development tool is critical in maintaining the scientific excellence and long-term vitality of the Laboratory. Additionally, it is a means to stimulate the scientific community and foster new science and technology

LABORATORY DIRECTED RESEARCH AND DEVELOPMENT PROGRAM ACTIVITIES FOR FY2002.

Energy Technology Data Exchange (ETDEWEB)

FOX,K.J.

2002-12-31

Brookhaven National (BNL) Laboratory is a multidisciplinary laboratory that carries out basic and applied research in the physical, biomedical, and environmental sciences, and in selected energy technologies. It is managed by Brookhaven Science Associates, LLC, under contract with the U. S. Department of Energy. BNL's total annual budget has averaged about $450 million. There are about 3,000 employees, and another 4,500 guest scientists and students who come each year to use the Laboratory's facilities and work with the staff. The BNL Laboratory Directed Research and Development (LDRD) Program reports its status to the U.S. Department of Energy (DOE) annually in March, as required by DOE Order 4 1 3.2A, ''Laboratory Directed Research and Development,'' January 8, 2001, and the LDRD Annual Report guidance, updated February 12, 1999. The LDRD Program obtains its funds through the Laboratory overhead pool and operates under the authority of DOE Order 413.2A. The goals and objectives of BNL's LDRD Program can be inferred from the Program's stated purposes. These are to (1) encourage and support the development of new ideas and technology, (2) promote the early exploration and exploitation of creative and innovative concepts, and (3) develop new ''fundable'' R&D projects and programs. The emphasis is clearly articulated by BNL to be on supporting exploratory research ''which could lead to new programs, projects, and directions'' for the Laboratory. As one of the premier scientific laboratories of the DOE, BNL must continuously foster groundbreaking scientific research. At Brookhaven National Laboratory one such method is through its LDRD Program. This discretionary research and development tool is critical in maintaining the scientific excellence and long-term vitality of the Laboratory. Additionally, it is a means to stimulate the scientific community and foster new science and technology

LABORATORY DIRECTED RESEARCH AND DEVELOPMENT ANNUAL REPORT TO THE DEPARTMENT OF ENERGY - DECEMBER 2003

Energy Technology Data Exchange (ETDEWEB)

FOX,K.J.

2003-12-31

Brookhaven National (BNL) Laboratory is a multidisciplinary laboratory that carries out basic and applied research in the physical, biomedical, and environmental sciences, and in selected energy technologies. It is managed by Brookhaven Science Associates, LLC, under contract with the U. S. Department of Energy. BNL's total annual budget has averaged about $450 million. There are about 3,000 employees, and another 4,500 guest scientists and students who come each year to use the Laboratory's facilities and work with the staff. The BNL Laboratory Directed Research and Development (LDRD) Program reports its status to the U.S. Department of Energy (DOE) annually in March, as required by DOE Order 41 3.2A, ''Laboratory Directed Research and Development,'' January 8, 2001, and the LDRD Annual Report guidance, updated February 12, 1999. The LDRD Program obtains its funds through the Laboratory overhead pool and operates under the authority of DOE Order 413.2A. The goals and objectives of BNL's LDRD Program can be inferred from the Program's stated purposes. These are to (1) encourage and support the development of new ideas and technology, (2) promote the early exploration and exploitation of creative and innovative concepts, and (3) develop new ''fundable'' R&D projects and programs. The emphasis is clearly articulated by BNL to be on supporting exploratory research ''which could lead to new programs, projects, and directions'' for the Laboratory. As one of the premier scientific laboratories of the DOE, BNL must continuously foster groundbreaking scientific research. At Brookhaven National Laboratory one such method is through its LDRD Program. This discretionary research and development tool is critical in maintaining the scientific excellence and long-term vitality of the Laboratory. Additionally, it is a means to stimulate the scientific community and foster new science and technology

Laboratory Directed Research and Development Program FY 2005 Annual Report

Energy Technology Data Exchange (ETDEWEB)

Sjoreen, Terrence P [ORNL

2006-04-01

The Oak Ridge National Laboratory (ORNL) Laboratory Directed Research and Development (LDRD) Program reports its status to the U.S. Department of Energy (DOE) in March of each year. The program operates under the authority of DOE Order 413.2A, 'Laboratory Directed Research and Development' (January 8, 2001), which establishes DOE's requirements for the program while providing the Laboratory Director broad flexibility for program implementation. LDRD funds are obtained through a charge to all Laboratory programs. This report describes all ORNL LDRD research activities supported during FY 2005 and includes final reports for completed projects and shorter progress reports for projects that were active, but not completed, during this period. The FY 2005 ORNL LDRD Self-Assessment (ORNL/PPA-2006/2) provides financial data about the FY 2005 projects and an internal evaluation of the program's management process. ORNL is a DOE multiprogram science, technology, and energy laboratory with distinctive capabilities in materials science and engineering, neutron science and technology, energy production and end-use technologies, biological and environmental science, and scientific computing. With these capabilities ORNL conducts basic and applied research and development (R&D) to support DOE's overarching national security mission, which encompasses science, energy resources, environmental quality, and national nuclear security. As a national resource, the Laboratory also applies its capabilities and skills to the specific needs of other federal agencies and customers through the DOE Work For Others (WFO) program. Information about the Laboratory and its programs is available on the Internet at . LDRD is a relatively small but vital DOE program that allows ORNL, as well as other multiprogram DOE laboratories, to select a limited number of R&D projects for the purpose of: (1) maintaining the scientific and technical vitality of the

LABORATORY DIRECTED RESEARCH AND DEVELOPMENT ANNUAL REPORT TO THE DOE - DECEMBER 2001.

Energy Technology Data Exchange (ETDEWEB)

FOX,K.J.

2001-12-01

Brookhaven National (BNL) Laboratory is a multidisciplinary laboratory that carries out basic and applied research in the physical, biomedical, and environmental sciences, and in selected energy technologies. It is managed by Brookhaven Science Associates, LLC, under contract with the U. S. Department of Energy. BNL's total annual budget has averaged about $450 million. There are about 3,000 employees, and another 4,500 guest scientists and students who come each year to use the Laboratory's facilities and work with the staff. The BNL Laboratory Directed Research and Development (LDRD) Program reports its status to the U.S. Department of Energy (DOE) annually in March, as required by DOE Order 4 13.2, ''Laboratory Directed Research and Development,'' March 5, 1997, and the LDRD Annual Report guidance, updated February 12, 1999. The LDRD Program obtains its funds through the Laboratory overhead pool and operates under the authority of DOE Order 4 13.2. The goals and objectives of BNL's LDRD Program can be inferred from the Program's stated purposes. These are to (1) encourage and support the development of new ideas and technology, (2) promote the early exploration and exploitation of creative and innovative concepts, and (3) develop new ''fundable'' R&D projects and programs. The emphasis is clearly articulated by BNL to be on supporting exploratory research ''which could lead to new programs, projects, and directions'' for the Laboratory. As one of the premier scientific laboratories of the DOE, BNL must continuously foster groundbreaking scientific research. At Brookhaven National Laboratory one such method is through its LDRD Program. This discretionary research and development tool is critical in maintaining the scientific excellence and long-term vitality of the Laboratory. Additionally, it is a means to stimulate the scientific community and foster new science and technology ideas

Laboratory Directed Research and Development Program FY 2004 Annual Report

Energy Technology Data Exchange (ETDEWEB)

Sjoreen, Terrence P [ORNL

2005-04-01

The Oak Ridge National Laboratory (ORNL) Laboratory Directed Research and Development (LDRD) Program reports its status to the U.S. Department of Energy (DOE) in March of each year. The program operates under the authority of DOE Order 413.2A, 'Laboratory Directed Research and Development' (January 8, 2001), which establishes DOE's requirements for the program while providing the Laboratory Director broad flexibility for program implementation. LDRD funds are obtained through a charge to all Laboratory programs. This report describes all ORNL LDRD research activities supported during FY 2004 and includes final reports for completed projects and shorter progress reports for projects that were active, but not completed, during this period. The FY 2004 ORNL LDRD Self-Assessment (ORNL/PPA-2005/2) provides financial data about the FY 2004 projects and an internal evaluation of the program's management process. ORNL is a DOE multiprogram science, technology, and energy laboratory with distinctive capabilities in materials science and engineering, neutron science and technology, energy production and end-use technologies, biological and environmental science, and scientific computing. With these capabilities ORNL conducts basic and applied research and development (R&D) to support DOE's overarching national security mission, which encompasses science, energy resources, environmental quality, and national nuclear security. As a national resource, the Laboratory also applies its capabilities and skills to the specific needs of other federal agencies and customers through the DOE Work For Others (WFO) program. Information about the Laboratory and its programs is available on the Internet at . LDRD is a relatively small but vital DOE program that allows ORNL, as well as other multiprogram DOE laboratories, to select a limited number of R&D projects for the purpose of: (1) maintaining the scientific and technical vitality of the

Laboratory Directed Research and Development Program Assessment for FY 2008

Energy Technology Data Exchange (ETDEWEB)

Looney, J P; Fox, K J

2008-03-31

Brookhaven National Laboratory (BNL) is a multidisciplinary Laboratory that carries out basic and applied research in the physical, biomedical, and environmental sciences, and in selected energy technologies. It is managed by Brookhaven Science Associates, LLC, (BSA) under contract with the U. S. Department of Energy (DOE). BNL's Fiscal Year 2008 spending was $531.6 million. There are approximately 2,800 employees, and another 4,300 guest scientists and students who come each year to use the Laboratory's facilities and work with the staff. The BNL Laboratory Directed Research and Development (LDRD) Program reports its status to the U.S. Department of Energy (DOE) annually in March, as required by DOE Order 413.2B, 'Laboratory Directed Research and Development,' April 19, 2006, and the Roles, Responsibilities, and Guidelines for Laboratory Directed Research and Development at the Department of Energy/National Nuclear Security Administration Laboratories dated June 13, 2006. The goals and objectives of BNL's LDRD Program can be inferred from the Program's stated purposes. These are to (1) encourage and support the development of new ideas and technology, (2) promote the early exploration and exploitation of creative and innovative concepts, and (3) develop new 'fundable' R&D projects and programs. The emphasis is clearly articulated by BNL to be on supporting exploratory research 'which could lead to new programs, projects, and directions' for the Laboratory. To be a premier scientific Laboratory, BNL must continuously foster groundbreaking scientific research and renew its research agenda. The competition for LDRD funds stimulates Laboratory scientists to think in new and creative ways, which becomes a major factor in achieving and maintaining research excellence and a means to address National needs within the overall mission of the DOE and BNL. By fostering high-risk, exploratory research, the LDRD program helps

Predicting the occurrence of mixed mode failure associated with hydraulic fracturing, part 2 water saturated tests

Energy Technology Data Exchange (ETDEWEB)

Bauer, Stephen J. [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Broome, Scott Thomas [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Choens, Charles [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Barrow, Perry Carl [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)

2015-09-14

Seven water-saturated triaxial extension experiments were conducted on four sedimentary rocks. This experimental condition was hypothesized more representative of that existing for downhole hydrofracture and thus it may improve our understanding of the phenomena. In all tests the pore pressure was 10 MPa and confirming pressure was adjusted to achieve tensile and transitional failure mode conditions. Using previous work in this LDRD for comparison, the law of effective stress is demonstrated in extension using this sample geometry. In three of the four lithologies, no apparent chemo-mechanical effect of water is apparent, and in the fourth lithology test results indicate some chemo-mechanical effect of water.

Physics of intense, high energy radiation effects

International Nuclear Information System (INIS)

Hjalmarson, Harold Paul; Hartman, E. Frederick; Magyar, Rudolph J.; Crozier, Paul Stewart

2011-01-01

This document summarizes the work done in our three-year LDRD project titled 'Physics of Intense, High Energy Radiation Effects.' This LDRD is focused on electrical effects of ionizing radiation at high dose-rates. One major thrust throughout the project has been the radiation-induced conductivity (RIC) produced by the ionizing radiation. Another important consideration has been the electrical effect of dose-enhanced radiation. This transient effect can produce an electromagnetic pulse (EMP). The unifying theme of the project has been the dielectric function. This quantity contains much of the physics covered in this project. For example, the work on transient electrical effects in radiation-induced conductivity (RIC) has been a key focus for the work on the EMP effects. This physics in contained in the dielectric function, which can also be expressed as a conductivity. The transient defects created during a radiation event are also contained, in principle. The energy loss lead the hot electrons and holes is given by the stopping power of ionizing radiation. This information is given by the inverse dielectric function. Finally, the short time atomistic phenomena caused by ionizing radiation can also be considered to be contained within the dielectric function. During the LDRD, meetings about the work were held every week. These discussions involved theorists, experimentalists and engineers. These discussions branched out into the work done in other projects. For example, the work on EMP effects had influence on another project focused on such phenomena in gases. Furthermore, the physics of radiation detectors and radiation dosimeters was often discussed, and these discussions had impact on related projects. Some LDRD-related documents are now stored on a sharepoint site (https://sharepoint.sandia.gov/sites/LDRD-REMS/default.aspx). In the remainder of this document the work is described in catergories but there is much overlap between the atomistic calculations, the

Shale Fracture Analysis using the Combined Finite-Discrete Element Method

Science.gov (United States)

Carey, J. W.; Lei, Z.; Rougier, E.; Knight, E. E.; Viswanathan, H.

2014-12-01

Hydraulic fracturing (hydrofrac) is a successful method used to extract oil and gas from highly carbonate rocks like shale. However, challenges exist for industry experts estimate that for a single $10 million dollar lateral wellbore fracking operation, only 10% of the hydrocarbons contained in the rock are extracted. To better understand how to improve hydrofrac recovery efficiencies and to lower its costs, LANL recently funded the Laboratory Directed Research and Development (LDRD) project: "Discovery Science of Hydraulic Fracturing: Innovative Working Fluids and Their Interactions with Rocks, Fractures, and Hydrocarbons". Under the support of this project, the LDRD modeling team is working with the experimental team to understand fracture initiation and propagation in shale rocks. LANL's hybrid hydro-mechanical (HM) tool, the Hybrid Optimization Software Suite (HOSS), is being used to simulate the complex fracture and fragment processes under a variety of different boundary conditions. HOSS is based on the combined finite-discrete element method (FDEM) and has been proven to be a superior computational tool for multi-fracturing problems. In this work, the comparison of HOSS simulation results to triaxial core flooding experiments will be presented.

Transportation Energy Pathways LDRD.

Energy Technology Data Exchange (ETDEWEB)

Barter, Garrett. [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Reichmuth, David. [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Westbrook, Jessica [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Malczynski, Leonard A. [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Yoshimura, Ann S. [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Peterson, Meghan B. [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); West, Todd H. [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Manley, Dawn Kataoka [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Guzman, Katherine Dunphy [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Edwards, Donna M. [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Hines, Valerie Ann-Peters [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)

2012-09-01

This report presents a system dynamics based model of the supply-demand interactions between the US light-duty vehicle (LDV) fleet, its fuels, and the corresponding primary energy sources through the year 2050. An important capability of our model is the ability to conduct parametric analyses. Others have relied upon scenario-based analysis, where one discrete set of values is assigned to the input variables and used to generate one possible realization of the future. While these scenarios can be illustrative of dominant trends and tradeoffs under certain circumstances, changes in input values or assumptions can have a significant impact on results, especially when output metrics are associated with projections far into the future. This type of uncertainty can be addressed by using a parametric study to examine a range of values for the input variables, offering a richer source of data to an analyst.The parametric analysis featured here focuses on a trade space exploration, with emphasis on factors that influence the adoption rates of electric vehicles (EVs), the reduction of GHG emissions, and the reduction of petroleum consumption within the US LDV fleet. The underlying model emphasizes competition between 13 different types of powertrains, including conventional internal combustion engine (ICE) vehicles, flex-fuel vehicles (FFVs), conventional hybrids(HEVs), plug-in hybrids (PHEVs), and battery electric vehicles(BEVs).We find that many factors contribute to the adoption rates of EVs. These include the pace of technological development for the electric powertrain, battery performance, as well as the efficiency improvements in conventional vehicles. Policy initiatives can also have a dramatic impact on the degree of EV adoption. The consumer effective payback period, in particular, can significantly increase the market penetration rates if extended towards the vehicle lifetime.Widespread EV adoption can have noticeable impact on petroleum consumption and greenhouse gas(GHG) emission by the LDV fleet. However, EVs alone cannot drive compliance with the most aggressive GHG emission reduction targets, even as the current electricity source mix shifts away from coal and towards natural gas. Since ICEs will comprise the majority of the LDV fleet for up to forty years, conventional vehicle efficiency improvements have the greatest potential for reductions in LDV GHG emissions over this time.These findings seem robust even if global oil prices rise to two to three times current projections. Thus,investment in improving the internal combustion engine might be the cheapest, lowest risk avenue towards meeting ambitious GHG emission and petroleum consumption reduction targets out to 2050.3 Acknowledgment The authors would like to thank Dr. Andrew Lutz, Dr. Benjamin Wu, Prof. Joan Ogden and Dr. Christopher Yang for their suggestions over the course of this project. This work was funded by the Laboratory Directed Research and Development program at Sandia National Laboratories.

Enhanced Micellar Catalysis LDRD.

Energy Technology Data Exchange (ETDEWEB)

Betty, Rita G.; Tucker, Mark D; Taggart, Gretchen; Kinnan, Mark K.; Glen, Crystal Chanea; Rivera, Danielle; Sanchez, Andres; Alam, Todd Michael

2012-12-01

The primary goals of the Enhanced Micellar Catalysis project were to gain an understanding of the micellar environment of DF-200, or similar liquid CBW surfactant-based decontaminants, as well as characterize the aerosolized DF-200 droplet distribution and droplet chemistry under baseline ITW rotary atomization conditions. Micellar characterization of limited surfactant solutions was performed externally through the collection and measurement of Small Angle X-Ray Scattering (SAXS) images and Cryo-Transmission Electron Microscopy (cryo-TEM) images. Micellar characterization was performed externally at the University of Minnesotas Characterization Facility Center, and at the Argonne National Laboratory Advanced Photon Source facility. A micellar diffusion study was conducted internally at Sandia to measure diffusion constants of surfactants over a concentration range, to estimate the effective micelle diameter, to determine the impact of individual components to the micellar environment in solution, and the impact of combined components to surfactant phase behavior. Aerosolized DF-200 sprays were characterized for particle size and distribution and limited chemical composition. Evaporation rates of aerosolized DF-200 sprays were estimated under a set of baseline ITW nozzle test system parameters.

1995 Laboratory-Directed Research and Development Annual report

International Nuclear Information System (INIS)

Cauffman, D.P.; Shoaf, D.L.; Hill, D.A.; Denison, A.B.

1995-01-01

The Laboratory-Directed Research and Development Program (LDRD) is a key component of the discretionary research conducted by Lockheed Idaho Technologies Company (Lockheed Idaho) at the Idaho National Engineering Laboratory (INEL). The threefold purpose and goal of the LDRD program is to maintain the scientific and technical vitality of the INEL, respond to and support new technical opportunities, and enhance the agility and flexibility of the national laboratory and Lockheed Idaho to address the current and future missions of the Department of Energy

1995 Laboratory-Directed Research and Development Annual report

Energy Technology Data Exchange (ETDEWEB)

Cauffman, D.P.; Shoaf, D.L.; Hill, D.A.; Denison, A.B.

1995-12-31

The Laboratory-Directed Research and Development Program (LDRD) is a key component of the discretionary research conducted by Lockheed Idaho Technologies Company (Lockheed Idaho) at the Idaho National Engineering Laboratory (INEL). The threefold purpose and goal of the LDRD program is to maintain the scientific and technical vitality of the INEL, respond to and support new technical opportunities, and enhance the agility and flexibility of the national laboratory and Lockheed Idaho to address the current and future missions of the Department of Energy.

Laboratory Directed Research and Development Annual Report - Fiscal Year 2000; FINAL

International Nuclear Information System (INIS)

Fisher, Darrell R; Hughes, Pamela J; Pearson, Erik W

2001-01-01

The projects described in this report represent the Laboratory's investment in its future and are vital to maintaining the ability to develop creative solutions for the scientific and technical challenges faced by DOE and the nation. In accordance with DOE guidelines, the report provides, (a) a director's statement, (b) an overview of the laboratory's LDRD program, including PNNL's management process and a self-assessment of the program, (c) a five-year project funding table, and (d) project summaries for each LDRD project

Generation and compression of a target plasma for magnetized target fusion

International Nuclear Information System (INIS)

Kirkpatrick, R.C.; Lindemuth, I.R.; Sheehey, P.T.

1998-01-01

This is the final report of a three-year, Laboratory Directed Research and Development (LDRD) project at the Los Alamos National Laboratory (LANL). Magnetized target fusion (MTF) is intermediate between the two very different approaches to fusion: inertial and magnetic confinement fusion (ICF and MCF). Results from collaboration with a Russian MTF team on their MAGO experiments suggest they have a target plasma suitable for compression to provide an MTF proof of principle. This LDRD project had tow main objectives: first, to provide a computational basis for experimental investigation of an alternative MTF plasma, and second to explore the physics and computational needs for a continuing program. Secondary objectives included analytic and computational support for MTF experiments. The first objective was fulfilled. The second main objective has several facets to be described in the body of this report. Finally, the authors have developed tools for analyzing data collected on the MAGO and LDRD experiments, and have tested them on limited MAGO data

Laboratory Directed Research and Development Program FY 2008 Annual Report

Energy Technology Data Exchange (ETDEWEB)

editor, Todd C Hansen

2009-02-23

The Ernest Orlando Lawrence Berkeley National Laboratory (Berkeley Lab or LBNL) is a multi-program national research facility operated by the University of California for the Department of Energy (DOE). As an integral element of DOE's National Laboratory System, Berkeley Lab supports DOE's missions in fundamental science, energy resources, and environmental quality. Berkeley Lab programs advance four distinct goals for DOE and the nation: (1) To perform leading multidisciplinary research in the computing sciences, physical sciences, energy sciences, biosciences, and general sciences in a manner that ensures employee and public safety and protection of the environment. (2) To develop and operate unique national experimental facilities for qualified investigators. (3) To educate and train future generations of scientists and engineers to promote national science and education goals. (4) To transfer knowledge and technological innovations and to foster productive relationships among Berkeley Lab's research programs, universities, and industry in order to promote national economic competitiveness. Berkeley Lab's research and the Laboratory Directed Research and Development (LDRD) program support DOE's Strategic Themes that are codified in DOE's 2006 Strategic Plan (DOE/CF-0010), with a primary focus on Scientific Discovery and Innovation. For that strategic theme, the Fiscal Year (FY) 2008 LDRD projects support each one of the three goals through multiple strategies described in the plan. In addition, LDRD efforts support the four goals of Energy Security, the two goals of Environmental Responsibility, and Nuclear Security (unclassified fundamental research that supports stockpile safety and nonproliferation programs). The LDRD program supports Office of Science strategic plans, including the 20-year Scientific Facilities Plan and the Office of Science Strategic Plan. The research also supports the strategic directions periodically under

Laboratory Directed Research and Development Program FY 2008 Annual Report

International Nuclear Information System (INIS)

Hansen, Todd C.

2009-01-01

The Ernest Orlando Lawrence Berkeley National Laboratory (Berkeley Lab or LBNL) is a multi-program national research facility operated by the University of California for the Department of Energy (DOE). As an integral element of DOE's National Laboratory System, Berkeley Lab supports DOE's missions in fundamental science, energy resources, and environmental quality. Berkeley Lab programs advance four distinct goals for DOE and the nation: (1) To perform leading multidisciplinary research in the computing sciences, physical sciences, energy sciences, biosciences, and general sciences in a manner that ensures employee and public safety and protection of the environment. (2) To develop and operate unique national experimental facilities for qualified investigators. (3) To educate and train future generations of scientists and engineers to promote national science and education goals. (4) To transfer knowledge and technological innovations and to foster productive relationships among Berkeley Lab's research programs, universities, and industry in order to promote national economic competitiveness. Berkeley Lab's research and the Laboratory Directed Research and Development (LDRD) program support DOE's Strategic Themes that are codified in DOE's 2006 Strategic Plan (DOE/CF-0010), with a primary focus on Scientific Discovery and Innovation. For that strategic theme, the Fiscal Year (FY) 2008 LDRD projects support each one of the three goals through multiple strategies described in the plan. In addition, LDRD efforts support the four goals of Energy Security, the two goals of Environmental Responsibility, and Nuclear Security (unclassified fundamental research that supports stockpile safety and nonproliferation programs). The LDRD program supports Office of Science strategic plans, including the 20-year Scientific Facilities Plan and the Office of Science Strategic Plan. The research also supports the strategic directions periodically under consideration and review by the

LDRD final report : energy conversion using chromophore-functionalized carbon nanotubes.

Energy Technology Data Exchange (ETDEWEB)

Vance, Andrew L.; Zifer, Thomas; Zhou, Xinjian; Leonard, Francois Leonard; Wong, Bryan Matthew; Kane, Alexander; Katzenmeyer, Aaron Michael; Krafcik, Karen Lee

2010-09-01

With the goal of studying the conversion of optical energy to electrical energy at the nanoscale, we developed and tested devices based on single-walled carbon nanotubes functionalized with azobenzene chromophores, where the chromophores serve as photoabsorbers and the nanotube as the electronic read-out. By synthesizing chromophores with specific absorption windows in the visible spectrum and anchoring them to the nanotube surface, we demonstrated the controlled detection of visible light of low intensity in narrow ranges of wavelengths. Our measurements suggested that upon photoabsorption, the chromophores isomerize to give a large change in dipole moment, changing the electrostatic environment of the nanotube. All-electron ab initio calculations were used to study the chromophore-nanotube hybrids, and show that the chromophores bind strongly to the nanotubes without disturbing the electronic structure of either species. Calculated values of the dipole moments supported the notion of dipole changes as the optical detection mechanism.

Accommodating complexity and human behaviors in decision analysis.

Energy Technology Data Exchange (ETDEWEB)

Backus, George A.; Siirola, John Daniel; Schoenwald, David Alan; Strip, David R.; Hirsch, Gary B.; Bastian, Mark S.; Braithwaite, Karl R.; Homer, Jack [Homer Consulting

2007-11-01

This is the final report for a LDRD effort to address human behavior in decision support systems. One sister LDRD effort reports the extension of this work to include actual human choices and additional simulation analyses. Another provides the background for this effort and the programmatic directions for future work. This specific effort considered the feasibility of five aspects of model development required for analysis viability. To avoid the use of classified information, healthcare decisions and the system embedding them became the illustrative example for assessment.

Final report for the mobile node authentication LDRD project.

Energy Technology Data Exchange (ETDEWEB)

Michalski, John T.; Lanzone, Andrew J.

2005-09-01

In hostile ad hoc wireless communication environments, such as battlefield networks, end-node authentication is critical. In a wired infrastructure, this authentication service is typically facilitated by a centrally-located ''authentication certificate generator'' such as a Certificate Authority (CA) server. This centralized approach is ill-suited to meet the needs of mobile ad hoc networks, such as those required by military systems, because of the unpredictable connectivity and dynamic routing. There is a need for a secure and robust approach to mobile node authentication. Current mechanisms either assign a pre-shared key (shared by all participating parties) or require that each node retain a collection of individual keys that are used to communicate with other individual nodes. Both of these approaches have scalability issues and allow a single compromised node to jeopardize the entire mobile node community. In this report, we propose replacing the centralized CA with a distributed CA whose responsibilities are shared between a set of select network nodes. To that end, we develop a protocol that relies on threshold cryptography to perform the fundamental CA duties in a distributed fashion. The protocol is meticulously defined and is implemented it in a series of detailed models. Using these models, mobile wireless scenarios were created on a communication simulator to test the protocol in an operational environment and to gather statistics on its scalability and performance.

Optimization strategies for complex engineering applications

Energy Technology Data Exchange (ETDEWEB)

Eldred, M.S.

1998-02-01

LDRD research activities have focused on increasing the robustness and efficiency of optimization studies for computationally complex engineering problems. Engineering applications can be characterized by extreme computational expense, lack of gradient information, discrete parameters, non-converging simulations, and nonsmooth, multimodal, and discontinuous response variations. Guided by these challenges, the LDRD research activities have developed application-specific techniques, fundamental optimization algorithms, multilevel hybrid and sequential approximate optimization strategies, parallel processing approaches, and automatic differentiation and adjoint augmentation methods. This report surveys these activities and summarizes the key findings and recommendations.

Laboratory Directed Research and Development Annual Report - Fiscal Year 2000

Energy Technology Data Exchange (ETDEWEB)

Fisher, Darrell R.; Hughes, Pamela J.; Pearson, Erik W.

2001-04-01

The projects described in this report represent the Laboratory's investment in its future and are vital to maintaining the ability to develop creative solutions for the scientific and technical challenges faced by DOE and the nation. In accordance with DOE guidelines, the report provides, a) a director's statement, b) an overview of the laboratory's LDRD program, including PNNL's management process and a self-assessment of the program, c) a five-year project funding table, and d) project summaries for each LDRD project.

Laboratory Directed Research and Development FY-10 Annual Report

Energy Technology Data Exchange (ETDEWEB)

Dena Tomchak

2011-03-01

The FY 2010 Laboratory Directed Research and Development (LDRD) Annual Report is a compendium of the diverse research performed to develop and ensure the INL's technical capabilities can support the future DOE missions and national research priorities. LDRD is essential to the INL -- it provides a means for the laboratory to pursue novel scientific and engineering research in areas that are deemed too basic or risky for programmatic investments. This research enhances technical capabilities at the laboratory, providing scientific and engineering staff with opportunities for skill building and partnership development.

Laboratory Directed Research and Development Program FY2004

Energy Technology Data Exchange (ETDEWEB)

Hansen, Todd C.

2005-03-22

The Ernest Orlando Lawrence Berkeley National Laboratory (Berkeley Lab or LBNL) is a multi-program national research facility operated by the University of California for the Department of Energy (DOE). As an integral element of DOE's National Laboratory System, Berkeley Lab supports DOE's missions in fundamental science, energy resources, and environmental quality. Berkeley Lab programs advance four distinct goals for DOE and the nation: (1) To perform leading multidisciplinary research in the computing sciences, physical sciences, energy sciences, biosciences, and general sciences in a manner that ensures employee and public safety and protection of the environment. (2) To develop and operate unique national experimental facilities for qualified investigators. (3) To educate and train future generations of scientists and engineers to promote national science and education goals. (4) To transfer knowledge and technological innovations and to foster productive relationships among Berkeley Lab's research programs, universities, and industry in order to promote national economic competitiveness. Berkeley Lab's research and the Laboratory Directed Research and Development (LDRD) program support DOE's Strategic Goals that are codified in DOE's September 2003 Strategic Plan, with a primary focus on Advancing Scientific Understanding. For that goal, the Fiscal Year (FY) 2004 LDRD projects support every one of the eight strategies described in the plan. In addition, LDRD efforts support the goals of Investing in America's Energy Future (six of the fourteen strategies), Resolving the Environmental Legacy (four of the eight strategies), and Meeting National Security Challenges (unclassified fundamental research that supports stockpile safety and nonproliferation programs). The LDRD supports Office of Science strategic plans, including the 20 year Scientific Facilities Plan and the draft Office of Science Strategic Plan. The research also

Physics of intense, high energy radiation effects.

Energy Technology Data Exchange (ETDEWEB)

Hjalmarson, Harold Paul; Hartman, E. Frederick; Magyar, Rudolph J.; Crozier, Paul Stewart

2011-02-01

This document summarizes the work done in our three-year LDRD project titled 'Physics of Intense, High Energy Radiation Effects.' This LDRD is focused on electrical effects of ionizing radiation at high dose-rates. One major thrust throughout the project has been the radiation-induced conductivity (RIC) produced by the ionizing radiation. Another important consideration has been the electrical effect of dose-enhanced radiation. This transient effect can produce an electromagnetic pulse (EMP). The unifying theme of the project has been the dielectric function. This quantity contains much of the physics covered in this project. For example, the work on transient electrical effects in radiation-induced conductivity (RIC) has been a key focus for the work on the EMP effects. This physics in contained in the dielectric function, which can also be expressed as a conductivity. The transient defects created during a radiation event are also contained, in principle. The energy loss lead the hot electrons and holes is given by the stopping power of ionizing radiation. This information is given by the inverse dielectric function. Finally, the short time atomistic phenomena caused by ionizing radiation can also be considered to be contained within the dielectric function. During the LDRD, meetings about the work were held every week. These discussions involved theorists, experimentalists and engineers. These discussions branched out into the work done in other projects. For example, the work on EMP effects had influence on another project focused on such phenomena in gases. Furthermore, the physics of radiation detectors and radiation dosimeters was often discussed, and these discussions had impact on related projects. Some LDRD-related documents are now stored on a sharepoint site (https://sharepoint.sandia.gov/sites/LDRD-REMS/default.aspx). In the remainder of this document the work is described in catergories but there is much overlap between the atomistic

Evaluation of Corba for use in distributed control systems

International Nuclear Information System (INIS)

Holloway, F.W.; Arsdall, P. van

1999-01-01

The Common Object Request Broker Architecture (CORBA)-based Simulator was a Laboratory Directed Research and Development (LDRD) project that applied simulation techniques to explore critical questions about advanced distributed control system architectures. A three-prong approach comprised of a study of object-oriented distribution tools, computer network modeling, and simulation of key control system scenarios was used in the LDRD project. This input report describes the first of the three approaches the study of object-oriented distribution tools together with measurements, and predictions of use within the National Ignition Facility (NIF) and some aspects of CORBA which remain to be resolved. For the ICCS, the completeness of suitable functionality, the speed of performance and utilization of machine and network resources, and the developing nature of the commercial CORBA products themselves, presented a certain risk. This LDRD thus evaluated CORBA in general, and a particular implementation, to determine its features, performance, and scaling properties, and to optimize its use within the ICCS. Both UNIX and real-time operating systems were studied

Hyperspectral imaging of oil producing microalgae under thermal and nutritional stress.

Energy Technology Data Exchange (ETDEWEB)

Van Benthem, Mark Hilary; Davis, Ryan W.; Ricken, James Bryce; Powell, Amy Jo; Keenan, Michael Robert

2008-09-01

This short-term, late-start LDRD examined the effects of nutritional deprivation on the energy harvesting complex in microalgae. While the original experimental plan involved a much more detailed study of temperature and nutrition on the antenna system of a variety of TAG producing algae and their concomitant effects on oil production, time and fiscal constraints limited the scope of the study. This work was a joint effort between research teams at Sandia National Laboratories, New Mexico and California. Preliminary results indicate there is a photosystem response to silica starvation in diatoms that could impact the mechanisms for lipid accumulation.

High-Assurance Software: LDRD Report.

Energy Technology Data Exchange (ETDEWEB)

Hulette, Geoffrey Compton

2014-06-01

This report summarizes our work on methods for developing high-assurance digital systems. We present an approach for understanding and evaluating trust issues in digital systems, and for us- ing computer-checked proofs as a means for realizing this approach. We describe the theoretical background for programming with proofs based on the Curry-Howard correspondence, connect- ing the field of logic and proof theory to programs. We then describe a series of case studies, intended to demonstrate how this approach might be adopted in practice. In particular, our stud- ies elucidate some of the challenges that arise with this style of certified programming, including induction principles, generic programming, termination requirements, and reasoning over infinite state spaces.

LDRD final report on "Pumping up CO2 and conversion into useful molecules" (LDRD 105932).

Energy Technology Data Exchange (ETDEWEB)

Kemp, Richard Alan; Stewart, Constantine A.; Dickie, Diane A. (University of New Mexico, Albuquerque, NM)

2009-11-01

Group 12 metal cyclam complexes and their derivatives as well as (octyl){sub 2}Sn(OMe){sub 2} were examined as potential catalysts for the production of dimethyl carbonate (DMC) using CO{sub 2} and methanol. The zinc cyclams will readily take up carbon dioxide and methanol at room temperature and atmospheric pressure to give the metal methyl carbonate. The tin exhibited an improvement in DMC yields. Studies involving the reaction of bis-phosphino- and (phosphino)(silyl)-amido group 2 and 12 complexes with CO{sub 2} and CS{sub 2} were performed. Notable results include formation of phosphino-substituted isocyanates, fixation of three moles of CO{sub 2} in an unprecedented [N(CO{sub 2}){sub 3}]{sup 3-} anion, and rapid splitting of CS{sub 2} by main group elements under extremely mild conditions. Similar investigations of divalent group 14 silyl amides led to room temperature splitting of CO{sub 2} into CO and metal oxide clusters, and the formation of isocyanates and carbodiimides.

Laboratory Directed Research and Development Program Activities for FY 2007.

Energy Technology Data Exchange (ETDEWEB)

Newman,L.

2007-12-31

Brookhaven National Laboratory (BNL) is a multidisciplinary laboratory that carries out basic and applied research in the physical, biomedical, and environmental sciences, and in selected energy technologies. It is managed by Brookhaven Science Associates, LLC, (BSA) under contract with the U. S. Department of Energy (DOE). BNL's Fiscal year 2007 budget was $515 million. There are about 2,600 employees, and another 4,500 guest scientists and students who come each year to use the Laboratory's facilities and work with the staff. The BNL Laboratory Directed Research and Development (LDRD) Program reports its status to the U.S. Department of Energy (DOE) annually in March, as required by DOE Order 413.2B, 'Laboratory Directed Research and Development', April 19, 2006, and the Roles, Responsibilities, and Guidelines for Laboratory Directed Research and Development at the Department of Energy/National Nuclear Security Administration Laboratories dated June 13, 2006. In accordance this is our Annual Report in which we describe the Purpose, Approach, Technical Progress and Results, and Specific Accomplishments of all LDRD projects that received funding during Fiscal Year 2007. The goals and objectives of BNL's LDRD Program can be inferred from the Program's stated purposes. These are to (1) encourage and support the development of new ideas and technology, (2) promote the early exploration and exploitation of creative and innovative concepts, and (3) develop new 'fundable' R&D projects and programs. The emphasis is clearly articulated by BNL to be on supporting exploratory research 'which could lead to new programs, projects, and directions' for the Laboratory. We explicitly indicate that research conducted under the LDRD Program should be highly innovative, and an element of high risk as to success is acceptable. In the solicitation for new proposals for Fiscal Year 2007 we especially requested innovative new projects in

LDRD final report on nanocomposite materials based on hydrocarbon-bridged siloxanes

Energy Technology Data Exchange (ETDEWEB)

Ulibarri, T.A.; Bates, S.E.; Loy, D.A.; Jamison, G.M.; Emerson, J.A.; Curro, J.G.

1997-05-01

Silicones [polydimethylsiloxane (PDMS) polymers] are environmentally safe, nonflammable, weather resistant, thermally stable, low T{sub g} materials which are attractive for general elastomer applications because of their safety and their performance over a wide temperature range. However, PDMS is inherently weak due to its low glass transition temperature (T{sub g}) and lack of stress crystallization. The major goal of this project was to create a family of reinforced elastomers based on silsesquioxane/PDMS networks. Polydimethylsiloxane-based (PDMS) composite materials containing a variety of alkylene-arylene-bridged polysilsesquioxanes were synthesized in order to probe short chain and linkage effects in bimodal polymer networks. Monte Carlo simulations on the alkylene-bridged silsesquioxane/PDMS system predicted that the introduction of the silsesquioxane short chains into the long chain PDMS network would have a significant reinforcing effect on the elastomer. The silsesquioxane-PDMS networks were synthesized and evaluated. Analysis of the mechanical properties of the resulting materials indicated that use of the appropriate silisesquioxane generated materials with greatly enhanced properties. Arylene and activated alkylene systems resulted in materials that showed superior adhesive strength for metal-to-metal adhesion.

Coherent structures in compressible free-shear-layer flows

Energy Technology Data Exchange (ETDEWEB)

Aeschliman, D.P.; Baty, R.S. [Sandia National Labs., Albuquerque, NM (United States). Engineering Sciences Center; Kennedy, C.A.; Chen, J.H. [Sandia National Labs., Livermore, CA (United States). Combustion and Physical Sciences Center

1997-08-01

Large scale coherent structures are intrinsic fluid mechanical characteristics of all free-shear flows, from incompressible to compressible, and laminar to fully turbulent. These quasi-periodic fluid structures, eddies of size comparable to the thickness of the shear layer, dominate the mixing process at the free-shear interface. As a result, large scale coherent structures greatly influence the operation and efficiency of many important commercial and defense technologies. Large scale coherent structures have been studied here in a research program that combines a synergistic blend of experiment, direct numerical simulation, and analysis. This report summarizes the work completed for this Sandia Laboratory-Directed Research and Development (LDRD) project.

Radical advancement in multi-spectral imaging for autonomous vehicles (UAVs, UGVs, and UUVs) using active compensation.

Energy Technology Data Exchange (ETDEWEB)

Clark, Brian F.; Bagwell, Brett E.; Wick, David Victor

2007-01-01

The purpose of this LDRD was to demonstrate a compact, multi-spectral, refractive imaging systems using active optical compensation. Compared to a comparable, conventional lens system, our system has an increased operational bandwidth, provides for spectral selectivity and, non-mechanically corrects aberrations induced by the wavelength dependent properties of a passive refractive optical element (i.e. lens). The compact nature and low power requirements of the system lends itself to small platforms such as autonomous vehicles. In addition, the broad spectral bandwidth of our system would allow optimized performance for both day/night use, and the multi-spectral capability allows for spectral discrimination and signature identification.

Laboratory Directed Research and Development FY2011 Annual Report

International Nuclear Information System (INIS)

Craig, W.; Sketchley, J.; Kotta, P.

2012-01-01

A premier applied-science laboratory, Lawrence Livermore National Laboratory (LLNL) has earned the reputation as a leader in providing science and technology solutions to the most pressing national and global security problems. The LDRD Program, established by Congress at all DOE national laboratories in 1991, is LLNL's most important single resource for fostering excellent science and technology for today's needs and tomorrow's challenges. The LDRD internally directed research and development funding at LLNL enables high-risk, potentially high-payoff projects at the forefront of science and technology. The LDRD Program at Livermore serves to: (1) Support the Laboratory's missions, strategic plan, and foundational science; (2) Maintain the Laboratory's science and technology vitality; (3) Promote recruiting and retention; (4) Pursue collaborations; (5) Generate intellectual property; and (6) Strengthen the U.S. economy. Myriad LDRD projects over the years have made important contributions to every facet of the Laboratory's mission and strategic plan, including its commitment to nuclear, global, and energy and environmental security, as well as cutting-edge science and technology and engineering in high-energy-density matter, high-performance computing and simulation, materials and chemistry at the extremes, information systems, measurements and experimental science, and energy manipulation. A summary of each project was submitted by the principal investigator. Project summaries include the scope, motivation, goals, relevance to DOE/NNSA and LLNL mission areas, the technical progress achieved in FY11, and a list of publications that resulted from the research. The projects are: (1) Nuclear Threat Reduction; (2) Biosecurity; (3) High-Performance Computing and Simulation; (4) Intelligence; (5) Cybersecurity; (6) Energy Security; (7) Carbon Capture; (8) Material Properties, Theory, and Design; (9) Radiochemistry; (10) High-Energy-Density Science; (11) Laser Inertial

Ion-conduction mechanisms in NaSICON-type membranes for energy storage and utilization

Energy Technology Data Exchange (ETDEWEB)

McDaniel, Anthony H. [Sandia National Laboratories (SNL-CA), Livermore, CA (United States); Sandia National Laboratories, Albuquerque, NM (United States); Ihlefeld, Jon F. [Sandia National Laboratories (SNL-CA), Livermore, CA (United States); Sandia National Laboratories, Albuquerque, NM (United States); Bartelt, Norman Charles [Sandia National Laboratories (SNL-CA), Livermore, CA (United States); Sandia National Laboratories, Albuquerque, NM (United States)

2015-10-01

Next generation metal-ion conducting membranes are key to developing energy storage and utilization technologies like batteries and fuel ce lls. Sodium super-ionic conductors (aka NaSICON) are a class of compounds with AM 1 M 2 (PO 4 ) 3 stoichiometry where the choice of "A" and "M" cation varies widely. This report, which de scribes substitutional derivatives of NZP (NaZr 2 P 3 O 12 ), summarizes the accomplishments of a Laboratory D irected Research and Development (LDRD) project to analyze transport mec hanisms using a combination of in situ studies of structure, composition, and bonding, com bined with first principles theory and modeling. We developed an experimental platform and applied methods, such as synchrotron- based X-ray spectroscopies, to probe the electronic structure of compositionally well-controlled NaSICON films while in operation ( i.e ., conducting Na ions exposed to oxygen or water va por atmospheres). First principles theory and modeling were used to interpret the experimental observations and develop an enhanced understanding of atomistic processes that give rise to, and affect, ion conduction.

Laboratory directed research and development program, FY 1996

International Nuclear Information System (INIS)

1997-02-01

The Ernest Orlando Lawrence Berkeley National Laboratory (Berkeley Lab) Laboratory Directed Research and Development Program FY 1996 report is compiled from annual reports submitted by principal investigators following the close of the fiscal year. This report describes the projects supported and summarizes their accomplishments. It constitutes a part of the Laboratory Directed Research and Development (LDRD) program planning and documentation process that includes an annual planning cycle, projection selection, implementation, and review. The Berkeley Lab LDRD program is a critical tool for directing the Laboratory's forefront scientific research capabilities toward vital, excellent, and emerging scientific challenges. The program provides the resources for Berkeley Lab scientists to make rapid and significant contributions to critical national science and technology problems. The LDRD program also advances the Laboratory's core competencies, foundations, and scientific capability, and permits exploration of exciting new opportunities. Areas eligible for support include: (1) Work in forefront areas of science and technology that enrich Laboratory research and development capability; (2) Advanced study of new hypotheses, new experiments, and innovative approaches to develop new concepts or knowledge; (3) Experiments directed toward proof of principle for initial hypothesis testing or verification; and (4) Conception and preliminary technical analysis to explore possible instrumentation, experimental facilities, or new devices

Understanding and control of optical performance from ceramic materials

International Nuclear Information System (INIS)

Barbour, J.C.; Knapp, J.A.; Potter, B.G.; Jennison, D.R.; Verdozzi, C.A.; Follstaedt, D.M.; Bendale, R.D.; Simmons, J.H.

1998-06-01

This report summarizes a two-year Laboratory-Directed Research and Development (LDRD) program to gain understanding and control of the important parameters which govern the optical performance of rare-earth (RE) doped ceramics. This LDRD developed the capability to determine stable atomic arrangements in RE doped alumina using local density functional theory, and to model the luminescence from RE-doped alumina using molecular dynamic simulations combined with crystal-field calculations. Local structural features for different phases of alumina were examined experimentally by comparing their photoluminescence spectra and the atomic arrangement of the amorphous phase was determined to be similar to that of the gamma phase. The luminescence lifetimes were correlated to these differences in the local structure. The design of both high and low-phonon energy host materials was demonstrated through the growth of Er-doped aluminum oxide and lanthanum oxide. Multicomponent structures of rare-earth doped telluride glass in an alumina and silica matrix were also prepared. Finally, the optical performance of Er-doped alumina was determined as a function of hydrogen content in the host matrix. This LDRD is the groundwork for future experimentation to understand the effects of ionizing radiation on the optical properties of RE-doped ceramic materials used in space and other radiation environments

Laboratory Directed Research and Development Program FY98

Energy Technology Data Exchange (ETDEWEB)

Hansen, T. [ed.; Chartock, M.

1999-02-05

The Ernest Orlando Lawrence Berkeley National Laboratory (LBNL or Berkeley Lab) Laboratory Directed Research and Development Program FY 1998 report is compiled from annual reports submitted by principal investigators following the close of the fiscal year. This report describes the supported projects and summarizes their accomplishments. It constitutes a part of the Laboratory Directed Research and Development (LDRD) program planning and documentation process that includes an annual planning cycle, projection selection, implementation, and review. The LBNL LDRD program is a critical tool for directing the Laboratory's forefront scientific research capabilities toward vital, excellent, and emerging scientific challenges. The program provides the resources for LBNL scientists to make rapid and significant contributions to critical national science and technology problems. The LDRD program also advances LBNL's core competencies, foundations, and scientific capability, and permits exploration of exciting new opportunities. All projects are work in forefront areas of science and technology. Areas eligible for support include the following: Advanced study of hypotheses, concepts, or innovative approaches to scientific or technical problems; Experiments and analyses directed toward ''proof of principle'' or early determination of the utility of new scientific ideas, technical concepts, or devices; and Conception and preliminary technical analyses of experimental facilities or devices.

Laboratory directed research and development program, FY 1996

Energy Technology Data Exchange (ETDEWEB)

NONE

1997-02-01

The Ernest Orlando Lawrence Berkeley National Laboratory (Berkeley Lab) Laboratory Directed Research and Development Program FY 1996 report is compiled from annual reports submitted by principal investigators following the close of the fiscal year. This report describes the projects supported and summarizes their accomplishments. It constitutes a part of the Laboratory Directed Research and Development (LDRD) program planning and documentation process that includes an annual planning cycle, projection selection, implementation, and review. The Berkeley Lab LDRD program is a critical tool for directing the Laboratory`s forefront scientific research capabilities toward vital, excellent, and emerging scientific challenges. The program provides the resources for Berkeley Lab scientists to make rapid and significant contributions to critical national science and technology problems. The LDRD program also advances the Laboratory`s core competencies, foundations, and scientific capability, and permits exploration of exciting new opportunities. Areas eligible for support include: (1) Work in forefront areas of science and technology that enrich Laboratory research and development capability; (2) Advanced study of new hypotheses, new experiments, and innovative approaches to develop new concepts or knowledge; (3) Experiments directed toward proof of principle for initial hypothesis testing or verification; and (4) Conception and preliminary technical analysis to explore possible instrumentation, experimental facilities, or new devices.

LDRD final report on adaptive-responsive nanostructures for sensing applications.

Energy Technology Data Exchange (ETDEWEB)

Shelnutt, John Allen; van Swol, Frank B.; Wang, Zhongchun; Medforth, Craig J.

2005-11-01

Functional organic nanostructures such as well-formed tubes or fibers that can easily be fabricated into electronic and photonic devices are needed in many applications. Especially desirable from a national security standpoint are nanostructures that have enhanced sensitivity for the detection of chemicals and biological (CB) agents and other environmental stimuli. We recently discovered the first class of highly responsive and adaptive porphyrin-based nanostructures that may satisfy these requirements. These novel porphyrin nanostructures, which are formed by ionic self-assembly of two oppositely charged porphyrins, may function as conductors, semiconductors, or photoconductors, and they have additional properties that make them suitable for device fabrication (e.g., as ultrasensitive colorimetric CB microsensors). Preliminary studies with porphyrin nanotubes have shown that these nanostructures have novel optical and electronic properties, including strong resonant light scattering, quenched fluorescence, and electrical conductivity. In addition, they are photochemically active and capable of light-harvesting and photosynthesis; they may also have nonlinear optical properties. Remarkably, the nanotubes and potentially other porphyrin nanostructure are mechanically responsive and adaptive (e.g., the rigidity of the micrometers-long nanotubes is altered by light, ultrasound, or chemicals) and they self-heal upon removal the environmental stimulus. Given the tremendous degree of structural variation possible in the porphyrin subunits, additional types of nanostructures and greater control over their morphology can be anticipated. Molecular modification also provides a means of controlling their electronic, photonic, and other functional properties. In this work, we have greatly broadened the range of ionic porphyrin nanostructures that can be made, and determined the optical and responsivity properties of the nanotubes and other porphyrin nanostructures. We have

Ultrafast Laser Diagnostics for Energetic-Material Ignition Mechanisms: Tools for Physics-Based Model Development.

Energy Technology Data Exchange (ETDEWEB)

Kearney, Sean Patrick; Jilek, Brook Anton; Kohl, Ian Thomas; Farrow, Darcie; Urayama, Junji

2014-11-01

We present the results of an LDRD project to develop diagnostics to perform fundamental measurements of material properties during shock compression of condensed phase materials at micron spatial scales and picosecond time scales. The report is structured into three main chapters, which each focus on a different diagnostic devel opment effort. Direct picosecond laser drive is used to introduce shock waves into thin films of energetic and inert materials. The resulting laser - driven shock properties are probed via Ultrafast Time Domain Interferometry (UTDI), which can additionally be used to generate shock Hugoniot data in tabletop experiments. Stimulated Raman scattering (SRS) is developed as a temperature diagnostic. A transient absorption spectroscopy setup has been developed to probe shock - induced changes during shock compressio n. UTDI results are presented under dynamic, direct - laser - drive conditions and shock Hugoniots are estimated for inert polystyrene samples and for the explosive hexanitroazobenzene, with results from both Sandia and Lawrence Livermore presented here. SRS a nd transient absorption diagnostics are demonstrated on static thin - film samples, and paths forward to dynamic experiments are presented.

Cognitive Computing for Security.

Energy Technology Data Exchange (ETDEWEB)

Debenedictis, Erik [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Rothganger, Fredrick [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Aimone, James Bradley [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Marinella, Matthew [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Evans, Brian Robert [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Warrender, Christina E. [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Mickel, Patrick [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)

2015-12-01

Final report for Cognitive Computing for Security LDRD 165613. It reports on the development of hybrid of general purpose/ne uromorphic computer architecture, with an emphasis on potential implementation with memristors.

LDRD Final Report: Advanced Hohlraum Concepts

Energy Technology Data Exchange (ETDEWEB)

Jones, Ogden S. [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States)

2017-11-08

Indirect drive inertial confinement fusion (ICF) experiments to date have mostly used cylindrical, laser-heated, gas-filled hohlraums to produce the radiation drive needed to symmetrically implode DT-filled fusion capsules. These hohlraums have generally been unable to produce a symmetric radiation drive through the end of the desired drive pulse, and are plagued with complications due to laser-plasma interactions (LPI) that have made it difficult to predict their performance. In this project we developed several alternate hohlraum concepts. These new hohlraums utilize different hohlraum geometries, radiation shields, and foam materials in an attempt to improve performance relative to cylindrical hohlraums. Each alternate design was optimized using radiation hydrodynamic (RH) design codes to implode a reference DT capsule with a high-density carbon (HDC) ablator. The laser power and energy required to produce the desired time-dependent radiation drive, and the resulting time-dependent radiation symmetry for each new concept were compared to the results for a reference cylindrical hohlraum. Since several of the new designs needed extra laser entrance holes (LEHs), techniques to keep small LEHs open longer, including high-Z foam liners and low-Z wires at the LEH axis, were investigated numerically. Supporting experiments and target fabrication efforts were also done as part of this project. On the Janus laser facility plastic tubes open at one end (halfraums) and filled with SiO₂ or Ta₂O₅ foam were heated with a single 2w laser. Laser propagation and backscatter were measured. Generally the measured propagation was slower than calculated, and the measured laser backscatter was less than calculated. A comparable, scaled up experiment was designed for the NIF facility and four targets were built. Since low density gold foam was identified as a desirable material for lining the LEH and the hohlraum wall, a technique was developed to produce 550 mg/cc gold foam, and a sample of this material was successfully manufactured.

LDRD Final Review: Radiation Transport Calculations

Energy Technology Data Exchange (ETDEWEB)

Goorley, John Timothy [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Morgan, George Lake [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Lestone, John Paul [Los Alamos National Lab. (LANL), Los Alamos, NM (United States)

2017-06-22

Both high-fidelity & toy simulations are being used to understand measured signals and improve the Area 11 NDSE diagnostic. We continue to gain more and more confidence in the ability for MCNP to simulate neutron and photon transport from source to radiation detector.

Laboratory Directed Research and Development FY2011 Annual Report

Energy Technology Data Exchange (ETDEWEB)

Craig, W; Sketchley, J; Kotta, P

2012-03-22

A premier applied-science laboratory, Lawrence Livermore National Laboratory (LLNL) has earned the reputation as a leader in providing science and technology solutions to the most pressing national and global security problems. The LDRD Program, established by Congress at all DOE national laboratories in 1991, is LLNL's most important single resource for fostering excellent science and technology for today's needs and tomorrow's challenges. The LDRD internally directed research and development funding at LLNL enables high-risk, potentially high-payoff projects at the forefront of science and technology. The LDRD Program at Livermore serves to: (1) Support the Laboratory's missions, strategic plan, and foundational science; (2) Maintain the Laboratory's science and technology vitality; (3) Promote recruiting and retention; (4) Pursue collaborations; (5) Generate intellectual property; and (6) Strengthen the U.S. economy. Myriad LDRD projects over the years have made important contributions to every facet of the Laboratory's mission and strategic plan, including its commitment to nuclear, global, and energy and environmental security, as well as cutting-edge science and technology and engineering in high-energy-density matter, high-performance computing and simulation, materials and chemistry at the extremes, information systems, measurements and experimental science, and energy manipulation. A summary of each project was submitted by the principal investigator. Project summaries include the scope, motivation, goals, relevance to DOE/NNSA and LLNL mission areas, the technical progress achieved in FY11, and a list of publications that resulted from the research. The projects are: (1) Nuclear Threat Reduction; (2) Biosecurity; (3) High-Performance Computing and Simulation; (4) Intelligence; (5) Cybersecurity; (6) Energy Security; (7) Carbon Capture; (8) Material Properties, Theory, and Design; (9) Radiochemistry; (10) High

OPTIMUM DESIGN OF ULTRAHIGH STRENGTH NANOLAYERED COMPOSITES

Energy Technology Data Exchange (ETDEWEB)

H. KUNG; ET AL

2000-10-01

This is the final report of a three-year, Laboratory Directed Research and Development (LDRD) project at Los Alamos National Laboratory (LANL). Refinement of the microstructure in metallic multilayers from the micrometer-scale to the nanometer-scale often results in a break down of the classical Hall-Petch model relating strength to the microstructural length scale. The critical length scale at which this behavior breaks down is investigated both experimentally and theoretically. Using transmission electron microscopy and nanoindentation, we evaluated the microstructure and mechanical properties of Cu/Cr, Cu./Ni, and Cu/Nb multilayers that had different shear moduli mismatch between layers and lattice misfit strain between layers. Two-dimensional maps showing layer thickness and grain size ranges over which different deformation mechanisms operate were constructed using dislocation theory. The deformation mechanisms responsible for the breakdown of Hall-Petch behavior are discussed. By correlating the deformation mechanism maps with the experimental data, we show that these maps serve as guidelines for interpreting the scale-dependent deformation mechanisms in multilayers. Atomistic simulation was also used to evaluate the interaction between interfaces and glide dislocations to provide atomic scale insights into the deformation mechanisms.

Foundational development of an advanced nuclear reactor integrated safety code

International Nuclear Information System (INIS)

Clarno, Kevin; Lorber, Alfred Abraham; Pryor, Richard J.; Spotz, William F.; Schmidt, Rodney Cannon; Belcourt, Kenneth; Hooper, Russell Warren; Humphries, Larry LaRon

2010-01-01

This report describes the activities and results of a Sandia LDRD project whose objective was to develop and demonstrate foundational aspects of a next-generation nuclear reactor safety code that leverages advanced computational technology. The project scope was directed towards the systems-level modeling and simulation of an advanced, sodium cooled fast reactor, but the approach developed has a more general applicability. The major accomplishments of the LDRD are centered around the following two activities. (1) The development and testing of LIME, a Lightweight Integrating Multi-physics Environment for coupling codes that is designed to enable both 'legacy' and 'new' physics codes to be combined and strongly coupled using advanced nonlinear solution methods. (2) The development and initial demonstration of BRISC, a prototype next-generation nuclear reactor integrated safety code. BRISC leverages LIME to tightly couple the physics models in several different codes (written in a variety of languages) into one integrated package for simulating accident scenarios in a liquid sodium cooled 'burner' nuclear reactor. Other activities and accomplishments of the LDRD include (a) further development, application and demonstration of the 'non-linear elimination' strategy to enable physics codes that do not provide residuals to be incorporated into LIME, (b) significant extensions of the RIO CFD code capabilities, (c) complex 3D solid modeling and meshing of major fast reactor components and regions, and (d) an approach for multi-physics coupling across non-conformal mesh interfaces.

Foundational development of an advanced nuclear reactor integrated safety code.

Energy Technology Data Exchange (ETDEWEB)

Clarno, Kevin (Oak Ridge National Laboratory, Oak Ridge, TN); Lorber, Alfred Abraham; Pryor, Richard J.; Spotz, William F.; Schmidt, Rodney Cannon; Belcourt, Kenneth (Ktech Corporation, Albuquerque, NM); Hooper, Russell Warren; Humphries, Larry LaRon

2010-02-01

This report describes the activities and results of a Sandia LDRD project whose objective was to develop and demonstrate foundational aspects of a next-generation nuclear reactor safety code that leverages advanced computational technology. The project scope was directed towards the systems-level modeling and simulation of an advanced, sodium cooled fast reactor, but the approach developed has a more general applicability. The major accomplishments of the LDRD are centered around the following two activities. (1) The development and testing of LIME, a Lightweight Integrating Multi-physics Environment for coupling codes that is designed to enable both 'legacy' and 'new' physics codes to be combined and strongly coupled using advanced nonlinear solution methods. (2) The development and initial demonstration of BRISC, a prototype next-generation nuclear reactor integrated safety code. BRISC leverages LIME to tightly couple the physics models in several different codes (written in a variety of languages) into one integrated package for simulating accident scenarios in a liquid sodium cooled 'burner' nuclear reactor. Other activities and accomplishments of the LDRD include (a) further development, application and demonstration of the 'non-linear elimination' strategy to enable physics codes that do not provide residuals to be incorporated into LIME, (b) significant extensions of the RIO CFD code capabilities, (c) complex 3D solid modeling and meshing of major fast reactor components and regions, and (d) an approach for multi-physics coupling across non-conformal mesh interfaces.

Two dimensional point of use fuel cell : a final LDRD project report.

Energy Technology Data Exchange (ETDEWEB)

Zavadil, Kevin Robert; Hickner, Michael A. (Pennsylvania State University, University Park, PA); Gross, Matthew L. (Pennsylvania State University, University Park, PA)

2011-03-01

The Proliferation Assessment (program area - Things Thin) within the Defense Systems and Assessment Investment Area desires high energy density and long-lived power sources with moderate currents (mA) that can be used as building blocks in platforms for the continuous monitoring of chemical, biological, and radiological agents. Fuel cells can be an optimum choice for a power source because of the high energy densities that are possible with liquid fuels. Additionally, power generation and fuel storage can be decoupled in a fuel cell for independent control of energy and power density for customized, application-driven power solutions. Direct methanol fuel cells (DMFC) are explored as a possible concept to develop into ultrathin or two-dimensional power sources. New developments in nanotechnology, advanced fabrication techniques, and materials science are exploited to create a planar DMFC that could be co-located with electronics in a chip format. Carbon nanotubes and pyrolyzed polymers are used as building block electrodes - porous, mechanically compliant current collectors. Directed assembly methods including surface functionalization and layer-by-layer deposition with polyelectrolytes are used to pattern, build, and add functionality to these electrodes. These same techniques are used to incorporate nanoscale selective electrocatalyst into the carbon electrodes to provide a high density of active electron transfer sites for the methanol oxidation and oxygen reduction reactions. The resulting electrodes are characterized in terms of their physical properties, electrocatalytic function, and selectivity to better understand how processing impacts their performance attributes. The basic function of a membrane electrode assembly is demonstrated for several prototype devices.

STEM Education

Science.gov (United States)

& Development (LDRD) National Security Education Center (NSEC) Office of Science Programs Richard P Databases National Security Education Center (NSEC) Center for Nonlinear Studies Engineering Institute Scholarships STEM Education Programs Teachers (K-12) Students (K-12) Higher Education Regional Education

Higher Education

Science.gov (United States)

& Development (LDRD) National Security Education Center (NSEC) Office of Science Programs Richard P Databases National Security Education Center (NSEC) Center for Nonlinear Studies Engineering Institute Scholarships STEM Education Programs Teachers (K-12) Students (K-12) Higher Education Regional Education

STEM Education Programs

Science.gov (United States)

& Development (LDRD) National Security Education Center (NSEC) Office of Science Programs Richard P Databases National Security Education Center (NSEC) Center for Nonlinear Studies Engineering Institute Scholarships STEM Education Programs Teachers (K-12) Students (K-12) Higher Education Regional Education

Regional Education Partners

Science.gov (United States)

& Development (LDRD) National Security Education Center (NSEC) Office of Science Programs Richard P Databases National Security Education Center (NSEC) Center for Nonlinear Studies Engineering Institute Scholarships STEM Education Programs Teachers (K-12) Students (K-12) Higher Education Regional Education

Laboratory directed research and development 2006 annual report.

Energy Technology Data Exchange (ETDEWEB)

Westrich, Henry Roger

2007-03-01

This report summarizes progress from the Laboratory Directed Research and Development (LDRD) program during fiscal year 2006. In addition to a programmatic and financial overview, the report includes progress reports from 430 individual R&D projects in 17 categories.

About Us

Science.gov (United States)

& Development (LDRD) National Security Education Center (NSEC) Office of Science Programs Richard P Databases National Security Education Center (NSEC) Center for Nonlinear Studies Engineering Institute Scholarships STEM Education Programs Teachers (K-12) Students (K-12) Higher Education Regional Education

Network and Ensemble Enabled Entity Extraction in Informal Text (NEEEEIT) final report

Energy Technology Data Exchange (ETDEWEB)

Kegelmeyer, Philip W. [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Shead, Timothy M. [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Dunlavy, Daniel M. [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)

2013-09-01

This SAND report summarizes the activities and outcomes of the Network and Ensemble Enabled Entity Extraction in Information Text (NEEEEIT) LDRD project, which addressed improving the accuracy of conditional random fields for named entity recognition through the use of ensemble methods.

Carbon based prosthetic devices

Energy Technology Data Exchange (ETDEWEB)

Devlin, D.J.; Carroll, D.W.; Barbero, R.S.; Archuleta, T. [Los Alamos National Lab., NM (US); Klawitter, J.J.; Ogilvie, W.; Strzepa, P. [Ascension Orthopedics (US); Cook, S.D. [Tulane Univ., New Orleans, LA (US). School of Medicine

1998-12-31

This is the final report of a one-year, Laboratory Directed Research and Development (LDRD) project at the Los Alamos National Laboratory (LANL). The project objective was to evaluate the use of carbon/carbon-fiber-reinforced composites for use in endoprosthetic devices. The application of these materials for the metacarpophalangeal (MP) joints of the hand was investigated. Issues concerning mechanical properties, bone fixation, biocompatibility, and wear are discussed. A system consisting of fiber reinforced materials with a pyrolytic carbon matrix and diamond-like, carbon-coated wear surfaces was developed. Processes were developed for the chemical vapor infiltration (CVI) of pyrolytic carbon into porous fiber preforms with the ability to tailor the outer porosity of the device to provide a surface for bone in-growth. A method for coating diamond-like carbon (DLC) on the articulating surface by plasma-assisted chemical vapor deposition (CVD) was developed. Preliminary results on mechanical properties of the composite system are discussed and initial biocompatibility studies were performed.

In-situ Study of Dynamic Phenomena at Metal Nanosolder Interfaces Using Aberration Corrected Scanning Transmission Electron Microcopy.

Energy Technology Data Exchange (ETDEWEB)

Lu, Ping

2014-10-01

Controlling metallic nanoparticle (NP) interactions plays a vital role in the development of new joining techniques (nanosolder) that bond at lower processing temperatures but remain viable at higher temperatures. The pr imary objective of this project is t o develop a fundamental understanding of the actual reaction processes, associated atomic mechanisms, and the resulting microstructure that occur during thermally - driven bond formation concerning metal - metal nano - scale (%3C50nm) interfaces. In this LDRD pr oject, we have studied metallic NPs interaction at the elevated temperatures by combining in - situ transmission electron microscopy (TEM ) using an aberration - corrected scanning transmission electron microscope (AC - STEM) and atomic - scale modeling such as m olecular dynamic (MD) simulations. Various metallic NPs such as Ag, Cu and Au are synthesized by chemical routines. Numerous in - situ e xperiments were carried out with focus of the research on study of Ag - Cu system. For the first time, using in - situ STEM he ating experiments , we directly observed t he formation of a 3 - dimensional (3 - D) epitaxial Cu - Ag core - shell nanoparticle during the thermal interaction of Cu and Ag NPs at elevated temperatures (150 - 300 o C). The reaction takes place at temperatures as low as 150 o C and was only observed when care was taken to circumvent the effects of electron beam irradiation during STEM imaging. Atomic - scale modeling verified that the Cu - Ag core - shell structure is energetically favored, and indicated that this phenomenon is a nano - scale effect related to the large surface - to - volume ratio of the NPs. The observation potentially can be used for developing new nanosolder technology that uses Ag shell as the "glue" that stic ks the particles of Cu together. The LDRD has led to several journal publications and numerous conference presentations, and a TA. In addition, we have developed new TEM characterization techniques and phase

Rapid Response: D-Wave Effort Debrief Welcome, Logistics

Energy Technology Data Exchange (ETDEWEB)

Eidenbenz, Stephan Johannes [Los Alamos National Lab. (LANL), Los Alamos, NM (United States)

2016-10-11

The main objects of this project is to develop a diverse and sizable workforce, community, interest within LANL for D-Wave and Quantum Computing; identify promising application areas/problems for future projects; and complement other D-Wave work at LANL (LDRD DR, ASC).

Automated visual direction : LDRD 38623 final report.

Energy Technology Data Exchange (ETDEWEB)

Anderson, Robert J.

2005-01-01

Mobile manipulator systems used by emergency response operators consist of an articulated robot arm, a remotely driven base, a collection of cameras, and a remote communications link. Typically the system is completely teleoperated, with the operator using live video feedback to monitor and assess the environment, plan task activities, and to conduct the operations via remote control input devices. The capabilities of these systems are limited, and operators rarely attempt sophisticated operations such as retrieving and utilizing tools, deploying sensors, or building up world models. This project has focused on methods to utilize this video information to enable monitored autonomous behaviors for the mobile manipulator system, with the goal of improving the overall effectiveness of the human/robot system. Work includes visual servoing, visual targeting, utilization of embedded video in 3-D models, and improved methods of camera utilization and calibration.

LDRD report: Smoke effects on electrical equipment

International Nuclear Information System (INIS)

TANAKA, TINA J.; BAYNES, EDWARD E. JR.; NOWLEN, STEVEN P.; BROCKMANN, JOHN E.; GRITZO, LOUIS A.; SHADDIX, Christopher R.

2000-01-01

Smoke is known to cause electrical equipment failure, but the likelihood of immediate failure during a fire is unknown. Traditional failure assessment techniques measure the density of ionic contaminants deposited on surfaces to determine the need for cleaning or replacement of electronic equipment exposed to smoke. Such techniques focus on long-term effects, such as corrosion, but do not address the immediate effects of the fire. This document reports the results of tests on the immediate effects of smoke on electronic equipment. Various circuits and components were exposed to smoke from different fields in a static smoke exposure chamber and were monitored throughout the exposure. Electrically, the loss of insulation resistance was the most important change caused by smoke. For direct current circuits, soot collected on high-voltage surfaces sometimes formed semi-conductive soot bridges that shorted the circuit. For high voltage alternating current circuits, the smoke also tended to increase the likelihood of arcing, but did not accumulate on the surfaces. Static random access memory chips failed for high levels of smoke, but hard disk drives did not. High humidity increased the conductive properties of the smoke. The conductivity does not increase linearly with smoke density as first proposed; however, it does increase with quantity. The data can be used to give a rough estimate of the amount of smoke that will cause failures in CMOS memory chips, dc and ac circuits. Comparisons of this data to other fire tests can be made through the optical and mass density measurements of the smoke

Tools for characterizing biomembranes : final LDRD report.

Energy Technology Data Exchange (ETDEWEB)

Alam, Todd Michael; Stevens, Mark; Holland, Gregory P.; McIntyre, Sarah K.

2007-10-01

A suite of experimental nuclear magnetic resonance (NMR) spectroscopy tools were developed to investigate lipid structure and dynamics in model membrane systems. By utilizing both multinuclear and multidimensional NMR experiments a range of different intra- and inter-molecular contacts were probed within the membranes. Examples on pure single component lipid membranes and on the canonical raft forming mixture of DOPC/SM/Chol are presented. A unique gel phase pretransition in SM was also identified and characterized using these NMR techniques. In addition molecular dynamics into the hydrogen bonding network unique to sphingomyelin containing membranes were evaluated as a function of temperature, and are discussed.

FY08 LDRD Final Report Regional Climate

Energy Technology Data Exchange (ETDEWEB)

Bader, D C; Chin, H; Caldwell, P M

2009-05-19

An integrated, multi-model capability for regional climate change simulation is needed to perform original analyses to understand and prepare for the impacts of climate change on the time and space scales that are critical to California's future environmental quality and economic prosperity. Our intent was to develop a very high resolution regional simulation capability to address consequences of climate change in California to complement the global modeling capability that is supported by DOE at LLNL and other institutions to inform national and international energy policies. The California state government, through the California Energy Commission (CEC), institutionalized the State's climate change assessment process through its biennial climate change reports. The bases for these reports, however, are global climate change simulations for future scenarios designed to inform international policy negotiations, and are primarily focused on the global to continental scale impacts of increasing emissions of greenhouse gases. These simulations do not meet the needs of California public and private officials who will make major decisions in the next decade that require an understanding of climate change in California for the next thirty to fifty years and its effects on energy use, water utilization, air quality, agriculture and natural ecosystems. With the additional development of regional dynamical climate modeling capability, LLNL will be able to design and execute global simulations specifically for scenarios important to the state, then use those results to drive regional simulations of the impacts of the simulated climate change for regions as small as individual cities or watersheds. Through this project, we systematically studied the strengths and weaknesses of downscaling global model results with a regional mesoscale model to guide others, particularly university researchers, who are using the technique based on models with less complete parameterizations or coarser spatial resolution. Further, LLNL has now built a capability in state-of-the-science mesoscale climate modeling that complements that which it has in global climate simulation, providing potential sponsors with an end-to-end simulation and analysis program.

LDRD Final Report 15-ERD-037 Matthews

Energy Technology Data Exchange (ETDEWEB)

Matthews, Manyalibo J. [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States)

2017-10-26

The physics and materials science involved in laser materials processing of metals was studied experimentally using custom-built test beds and in situ diagnostics. Special attention was given to laser-based powder bed fusion additive manufacturing processes, a technology critically important to the stockpile stewardship program in NNSA. New light has been shed on several phenomena such as laser-driven spatter, material displacement and morphology changes. The results presented here and in publications generated by this work have proven impactful and useful to both internal and external communities. New directions in additive manufacturing research at LLNL have been enabled, along with new scientific capabilities that can serve future program needs.

EEG analyses with SOBI.

Energy Technology Data Exchange (ETDEWEB)

Glickman, Matthew R.; Tang, Akaysha (University of New Mexico, Albuquerque, NM)

2009-02-01

The motivating vision behind Sandia's MENTOR/PAL LDRD project has been that of systems which use real-time psychophysiological data to support and enhance human performance, both individually and of groups. Relevant and significant psychophysiological data being a necessary prerequisite to such systems, this LDRD has focused on identifying and refining such signals. The project has focused in particular on EEG (electroencephalogram) data as a promising candidate signal because it (potentially) provides a broad window on brain activity with relatively low cost and logistical constraints. We report here on two analyses performed on EEG data collected in this project using the SOBI (Second Order Blind Identification) algorithm to identify two independent sources of brain activity: one in the frontal lobe and one in the occipital. The first study looks at directional influences between the two components, while the second study looks at inferring gender based upon the frontal component.

FY 1995 research highlights: PNL accomplishments in OER programs

Energy Technology Data Exchange (ETDEWEB)

NONE

1995-10-01

Pacific Northwest Laboratory (PNL) conducts fundamental and applied research in support of the US Department of Energy`s (DOE) core missions in science and technology, environmental quality, energy resources, and national security. Much of this research is funded by the program offices of DOE`s Office of Energy Research (DOE-ER), primarily the Office of Basic Energy Sciences (BES) and the Office of Health and Environmental Research (OHER), and by PNL`s Laboratory Directed Research and Development (LDRD) Program. This document is a collection of research highlights that describe PNL`s accomplishments in DOE-ER funded programs during Fiscal Year 1995. Included are accomplishments in research funded by OHER`s Analytical Technologies, Environmental Research, Health Effects, General Life Sciences, and Carbon Dioxide Research programs; BES`s Materials Science, Chemical Sciences, Engineering and Geoscience, and Applied Mathematical Sciences programs; and PNL`s LDRD Program. Summaries are given for 70 projects.

Understanding and predicting metallic whisker growth and its effects on reliability : LDRD final report.

Energy Technology Data Exchange (ETDEWEB)

Michael, Joseph Richard; Grant, Richard P.; Rodriguez, Mark Andrew; Pillars, Jamin; Susan, Donald Francis; McKenzie, Bonnie Beth; Yelton, William Graham

2012-01-01

Tin (Sn) whiskers are conductive Sn filaments that grow from Sn-plated surfaces, such as surface finishes on electronic packages. The phenomenon of Sn whiskering has become a concern in recent years due to requirements for lead (Pb)-free soldering and surface finishes in commercial electronics. Pure Sn finishes are more prone to whisker growth than their Sn-Pb counterparts and high profile failures due to whisker formation (causing short circuits) in space applications have been documented. At Sandia, Sn whiskers are of interest due to increased use of Pb-free commercial off-the-shelf (COTS) parts and possible future requirements for Pb-free solders and surface finishes in high-reliability microelectronics. Lead-free solders and surface finishes are currently being used or considered for several Sandia applications. Despite the long history of Sn whisker research and the recently renewed interest in this topic, a comprehensive understanding of whisker growth remains elusive. This report describes recent research on characterization of Sn whiskers with the aim of understanding the underlying whisker growth mechanism(s). The report is divided into four sections and an Appendix. In Section 1, the Sn plating process is summarized. Specifically, the Sn plating parameters that were successful in producing samples with whiskers will be reviewed. In Section 2, the scanning electron microscopy (SEM) of Sn whiskers and time-lapse SEM studies of whisker growth will be discussed. This discussion includes the characterization of straight as well as kinked whiskers. In Section 3, a detailed discussion is given of SEM/EBSD (electron backscatter diffraction) techniques developed to determine the crystallography of Sn whiskers. In Section 4, these SEM/EBSD methods are employed to determine the crystallography of Sn whiskers, with a statistically significant number of whiskers analyzed. This is the largest study of Sn whisker crystallography ever reported. This section includes a

Impact of defects on the electrical transport, optical properties and failure mechanisms of GaN nanowires.

Energy Technology Data Exchange (ETDEWEB)

Armstrong, Andrew M.; Aubry, Sylvie; Shaner, Eric Arthur; Siegal, Michael P.; Li, Qiming; Jones, Reese E.; Westover, Tyler; Wang, George T.; Zhou, Xiao Wang; Talin, Albert Alec; Bogart, Katherine Huderle Andersen; Harris, C. Thomas; Huang, Jian Yu

2010-09-01

We present the results of a three year LDRD project that focused on understanding the impact of defects on the electrical, optical and thermal properties of GaN-based nanowires (NWs). We describe the development and application of a host of experimental techniques to quantify and understand the physics of defects and thermal transport in GaN NWs. We also present the development of analytical models and computational studies of thermal conductivity in GaN NWs. Finally, we present an atomistic model for GaN NW electrical breakdown supported with experimental evidence. GaN-based nanowires are attractive for applications requiring compact, high-current density devices such as ultraviolet laser arrays. Understanding GaN nanowire failure at high-current density is crucial to developing nanowire (NW) devices. Nanowire device failure is likely more complex than thin film due to the prominence of surface effects and enhanced interaction among point defects. Understanding the impact of surfaces and point defects on nanowire thermal and electrical transport is the first step toward rational control and mitigation of device failure mechanisms. However, investigating defects in GaN NWs is extremely challenging because conventional defect spectroscopy techniques are unsuitable for wide-bandgap nanostructures. To understand NW breakdown, the influence of pre-existing and emergent defects during high current stress on NW properties will be investigated. Acute sensitivity of NW thermal conductivity to point-defect density is expected due to the lack of threading dislocation (TD) gettering sites, and enhanced phonon-surface scattering further inhibits thermal transport. Excess defect creation during Joule heating could further degrade thermal conductivity, producing a viscous cycle culminating in catastrophic breakdown. To investigate these issues, a unique combination of electron microscopy, scanning luminescence and photoconductivity implemented at the nanoscale will be used in

Final Report: 06-LW-013, Nuclear Physics the Monte Carlo Way

International Nuclear Information System (INIS)

Ormand, W.E.

2009-01-01

This is document reports the progress and accomplishments achieved in 2006-2007 with LDRD funding under the proposal 06-LW-013, 'Nuclear Physics the Monte Carlo Way'. The project was a theoretical study to explore a novel approach to dealing with a persistent problem in Monte Carlo approaches to quantum many-body systems. The goal was to implement a solution to the notorious 'sign-problem', which if successful, would permit, for the first time, exact solutions to quantum many-body systems that cannot be addressed with other methods. In this document, we outline the progress and accomplishments achieved during FY2006-2007 with LDRD funding in the proposal 06-LW-013, 'Nuclear Physics the Monte Carlo Way'. This project was funded under the Lab Wide LDRD competition at Lawrence Livermore National Laboratory. The primary objective of this project was to test the feasibility of implementing a novel approach to solving the generic quantum many-body problem, which is one of the most important problems being addressed in theoretical physics today. Instead of traditional methods based matrix diagonalization, this proposal focused a Monte Carlo method. The principal difficulty with Monte Carlo methods, is the so-called 'sign problem'. The sign problem, which will discussed in some detail later, is endemic to Monte Carlo approaches to the quantum many-body problem, and is the principal reason that they have not been completely successful in the past. Here, we outline our research in the 'shifted-contour method' applied the Auxiliary Field Monte Carlo (AFMC) method

Laboratory Directed Research and Development Program Assessment for FY 2014

Energy Technology Data Exchange (ETDEWEB)

Hatton, D. [Brookhaven National Lab. (BNL), Upton, NY (United States)

2014-03-01

Each year, Brookhaven National Laboratory (BNL) is required to provide a program description and overview of its Laboratory Directed Research and Development Program (LDRD) to the Department of Energy in accordance with DOE Order 413.2B dated April 19, 2006. This report fulfills that requirement.

Analyst-to-Analyst Variability in Simulation-Based Prediction

Energy Technology Data Exchange (ETDEWEB)

Glickman, Matthew R. [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Romero, Vicente J. [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)

2017-02-01

This report describes findings from the culminating experiment of the LDRD project entitled, "Analyst-to-Analyst Variability in Simulation-Based Prediction". For this experiment, volunteer participants solving a given test problem in engineering and statistics were interviewed at different points in their solution process. These interviews are used to trace differing solutions to differing solution processes, and differing processes to differences in reasoning, assumptions, and judgments. The issue that the experiment was designed to illuminate -- our paucity of understanding of the ways in which humans themselves have an impact on predictions derived from complex computational simulations -- is a challenging and open one. Although solution of the test problem by analyst participants in this experiment has taken much more time than originally anticipated, and is continuing past the end of this LDRD, this project has provided a rare opportunity to explore analyst-to-analyst variability in significant depth, from which we derive evidence-based insights to guide further explorations in this important area.

Argonne National Laboratory: Laboratory Directed Research and Development FY 1993 program activities. Annual report

Energy Technology Data Exchange (ETDEWEB)

None

1993-12-23

The purposes of Argonne`s Laboratory Directed Research and Development (LDRD) Program are to encourage the development of novel concepts, enhance the Laboratory`s R&D capabilities, and further the development of its strategic initiatives. Projects are selected from proposals for creative and innovative R&D studies which are not yet eligible for timely support through normal programmatic channels. Among the aims of the projects supported by the Program are establishment of engineering ``proof-of-principle`` assessment of design feasibility for prospective facilities; development of an instrumental prototype, method, or system; or discovery in fundamental science. Several of these projects are closely associated with major strategic thrusts of the Laboratory as described in Argonne`s Five Year Institutional Plan, although the scientific implications of the achieved results extend well beyond Laboratory plans and objectives. The projects supported by the Program are distributed across the major programmatic areas at Argonne as indicated in the Laboratory LDRD Plan for FY 1993.

Lawrence Livermore National Laboratory FY 2016 Laboratory Directed Research and Development Annual Report

Energy Technology Data Exchange (ETDEWEB)

Al-Ayat, R. [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States); Gard, E. [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States); Sketchley, J. [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States); Watkins, L. [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States)

2017-10-16

The LDRD annual report for FY2016 consists of two parts: The Overview. This section contains a broad description of the LDRD Program, highlights of recent accomplishments and awards, Program statistics, and the LDRD portfolio-management processes. Project Reports. Project reports are submitted by all principal investigators at the end of the fiscal year. The length and depth of the report depends on the project’s lifecycle. For projects that will be continuing the following year, the principal investigator submits a continuing project report, which is a brief update containing descriptions of the goals, scope, motivation, relevance (to DOE/NNSA and Livermore mission areas), and technical progress achieved in FY16, as well as a list of selected publications and presentations that resulted from the research. For projects that concluded in FY16, a more detailed final report is provided that is technical in nature and includes the background, objectives, scientific approach, accomplishments, and impacts on the Laboratory missions, as well as a list of publications and presentations that resulted from the research. Project reports are listed under their research topics and organized by year and type, such as exploratory research (ER), feasibility study (FS), laboratory-wide competition (LW), and strategic initiative (SI). Each project is assigned a unique tracking code, an identifier that consists of three elements. The first is the fiscal year in which the project began, the second represents the project type, and the third identifies the serial number of the project for that fiscal year. For example, 16-ERD-100 means the project is an exploratory research project that began in FY16. The three-digit number (100) represents the serial number for the project.

Quantifying the debonding of inclusions through tomography and computational homology.

Energy Technology Data Exchange (ETDEWEB)

Lu, Wei-Yang; Johnson, George C. (University of California, Berkeley, Berkeley, CA); Mota, Alejandro; Foulk, James W., III; Jin, Huiqing

2010-09-01

This report describes a Laboratory Directed Research and Development (LDRD) project to use of synchrotron-radiation computed tomography (SRCT) data to determine the conditions and mechanisms that lead to void nucleation in rolled alloys. The Advanced Light Source (ALS) at Lawrence Berkeley National Laboratory (LBNL) has provided SRCT data of a few specimens of 7075-T7351 aluminum plate (widely used for aerospace applications) stretched to failure, loaded in directions perpendicular and parallel to the rolling direction. The resolution of SRCT data is 900nm, which allows elucidation of the mechanisms governing void growth and coalescence. This resolution is not fine enough, however, for nucleation. We propose the use statistics and image processing techniques to obtain sub-resolution scale information from these data, and thus determine where in the specimen and when during the loading program nucleation occurs and the mechanisms that lead to it. Quantitative analysis of the tomography data, however, leads to the conclusion that the reconstruction process compromises the information obtained from the scans. Alternate, more powerful reconstruction algorithms are needed to address this problem, but those fall beyond the scope of this project.

LABORATORY DIRECTED RESEARCH AND DEVELOPMENT PROGRAM ASSESSMENT FOR FY 2006.

Energy Technology Data Exchange (ETDEWEB)

FOX,K.J.

2006-01-01

Brookhaven National Laboratory (BNL) is a multidisciplinary laboratory that carries out basic and applied research in the physical, biomedical, and environmental sciences, and in selected energy technologies. It is managed by Brookhaven Science Associates, LLC, (BSA) under contract with the U. S. Department of Energy (DOE). BNL's total annual budget has averaged about $460 million. There are about 2,500 employees, and another 4,500 guest scientists and students who come each year to use the Laboratory's facilities and work with the staff. The BNL Laboratory Directed Research and Development (LDRD) Program reports its status to the U.S. Department of Energy (DOE) annually in March, as required by DOE Order 413.2B, ''Laboratory Directed Research and Development,'' April 19,2006, and the Roles, Responsibilities, and Guidelines for Laboratory Directed Research and Development at the Department of Energy National Nuclear Security Administration Laboratories dated June 13,2006. The goals and' objectives of BNL's LDRD Program can be inferred from the Program's stated purposes. These are to (1) encourage and support the development of new ideas and technology, (2) promote the early exploration and exploitation of creative and innovative concepts, and (3) develop new ''fundable'' R&D projects and programs. The emphasis is clearly articulated by BNL to be on supporting exploratory research ''which could lead to new programs, projects, and directions'' for the Laboratory. As one of the premier scientific laboratories of the DOE, BNL must continuously foster groundbreaking scientific research. At Brookhaven National Laboratory one such method is through its LDRD Program. This discretionary research and development tool is critical in maintaining the scientific excellence and long-term vitality of the Laboratory. Additionally, it is a means to stimulate the scientific community and foster new

Laboratory Directed Research and Development Program Assessment for FY 2007

Energy Technology Data Exchange (ETDEWEB)

Newman,L.; Fox, K.J.

2007-12-31

Brookhaven National Laboratory (BNL) is a multidisciplinary laboratory that carries out basic and applied research in the physical, biomedical, and environmental sciences, and in selected energy technologies. It is managed by Brookhaven Science Associates, LLC, (BSA) under contract with the U. S. Department of Energy (DOE). BNL's Fiscal Year 2007 spending was $515 million. There are approximately 2,600 employees, and another 4,500 guest scientists and students who come each year to use the Laboratory's facilities and work with the staff. The BNL Laboratory Directed Research and Development (LDRD) Program reports its status to the U.S. Department of Energy (DOE) annually in March, as required by DOE Order 413.2B, 'Laboratory Directed Research and Development', April 19, 2006, and the Roles, Responsibilities, and Guidelines for Laboratory Directed Research and Development at the Department of Energy/National Nuclear Security Administration Laboratories dated June 13, 2006. The goals and objectives of BNL's LDRD Program can be inferred from the Program's stated purposes. These are to (1) encourage and support the development of new ideas and technology, (2) promote the early exploration and exploitation of creative and innovative concepts, and (3) develop new 'fundable' R&D projects and programs. The emphasis is clearly articulated by BNL to be on supporting exploratory research 'which could lead to new programs, projects, and directions' for the Laboratory. As one of the premier scientific laboratories of the DOE, BNL must continuously foster groundbreaking scientific research. At Brookhaven National Laboratory one such method is through its LDRD Program. This discretionary research and development tool is critical in maintaining the scientific excellence and long-term vitality of the Laboratory. Additionally, it is a means to stimulate the scientific community and foster new science and technology ideas, which

Interfacial electron and phonon scattering processes in high-powered nanoscale applications.

Energy Technology Data Exchange (ETDEWEB)

Hopkins, Patrick E.

2011-10-01

The overarching goal of this Truman LDRD project was to explore mechanisms of thermal transport at interfaces of nanomaterials, specifically linking the thermal conductivity and thermal boundary conductance to the structures and geometries of interfaces and boundaries. Deposition, fabrication, and post possessing procedures of nanocomposites and devices can give rise to interatomic mixing around interfaces of materials leading to stresses and imperfections that could affect heat transfer. An understanding of the physics of energy carrier scattering processes and their response to interfacial disorder will elucidate the potentials of applying these novel materials to next-generation high powered nanodevices and energy conversion applications. An additional goal of this project was to use the knowledge gained from linking interfacial structure to thermal transport in order to develop avenues to control, or 'tune' the thermal transport in nanosystems.

Remote experimental site concept development, LDRD final report

International Nuclear Information System (INIS)

Casper, T.A.; Meyer, W.; Butner, D.

1995-01-01

Scientific research is now often conducted on large and expensive experiments that utilize collaborative efforts on a national or international scale to explore physics and engineering issues. This is particularly true for the current US magnetic fusion energy program where collaboration on existing facilities has increased in importance and will form the basis for future efforts. As fusion energy research approaches reactor conditions, the trend is towards fewer large and expensive experimental facilities, leaving many major institutions without local experiments. Since the expertise of various groups is a valuable resource, it is important to integrate these teams into an overall scientific program. To sustain continued involvement in experiments, scientists are now often required to travel frequently, or to move their families, to the new large facilities. This problem is common to many other different fields of scientific research. The next-generation tokamaks, such as the Tokamak Physics Experiment (TPX) or the International Thermonuclear Experimental Reactor (ITER), will operate in steady-state or long pulse mode and produce fluxes of fusion reaction products sufficient to activate the surrounding structures. As a direct consequence, remote operation requiring robotics and video monitoring will become necessary, with only brief and limited access to the vessel area allowed. Even the on-site control room, data acquisition facilities, and work areas will be remotely located from the experiment, isolated by large biological barriers, and connected with fiber-optics. Current planning for the ITER experiment includes a network of control room facilities to be located in the countries of the four major international partners; USA, Russian Federation, Japan, and the European Community

Autonomous intelligent assembly systems LDRD 105746 final report.

Energy Technology Data Exchange (ETDEWEB)

Anderson, Robert J.

2013-04-01

This report documents a three-year to develop technology that enables mobile robots to perform autonomous assembly tasks in unstructured outdoor environments. This is a multi-tier problem that requires an integration of a large number of different software technologies including: command and control, estimation and localization, distributed communications, object recognition, pose estimation, real-time scanning, and scene interpretation. Although ultimately unsuccessful in achieving a target brick stacking task autonomously, numerous important component technologies were nevertheless developed. Such technologies include: a patent-pending polygon snake algorithm for robust feature tracking, a color grid algorithm for uniquely identification and calibration, a command and control framework for abstracting robot commands, a scanning capability that utilizes a compact robot portable scanner, and more. This report describes this project and these developed technologies.

Network-based collaborative research environment LDRD final report

Energy Technology Data Exchange (ETDEWEB)

Davies, B.R.; McDonald, M.J.

1997-09-01

The Virtual Collaborative Environment (VCE) and Distributed Collaborative Workbench (DCW) are new technologies that make it possible for diverse users to synthesize and share mechatronic, sensor, and information resources. Using these technologies, university researchers, manufacturers, design firms, and others can directly access and reconfigure systems located throughout the world. The architecture for implementing VCE and DCW has been developed based on the proposed National Information Infrastructure or Information Highway and a tool kit of Sandia-developed software. Further enhancements to the VCE and DCW technologies will facilitate access to other mechatronic resources. This report describes characteristics of VCE and DCW and also includes background information about the evolution of these technologies.

Laboratory Directed Research and Development LDRD-FY-2011

Energy Technology Data Exchange (ETDEWEB)

Dena Tomchak

2012-03-01

This report provides a summary of the research conducted at the Idaho National Laboratory (INL) during Fiscal Year (FY) 2011. This report demonstrates the types of cutting edge research the INL is performing to help ensure the nation's energy security. The research conducted under this program is aligned with our strategic direction, benefits the Department of Energy (DOE) and is in compliance with DOE order 413.2B. This report summarizes the diverse research and development portfolio with emphasis on the DOE Office of Nuclear Energy (DOE-NE) mission, encompassing both advanced nuclear science and technology and underlying technologies.

Behavior-aware decision support systems : LDRD final report.

Energy Technology Data Exchange (ETDEWEB)

Hirsch, Gary B.; Homer, Jack (Homer Consulting); Chenoweth, Brooke N.; Backus, George A.; Strip, David R.

2007-11-01

As Sandia National Laboratories serves its mission to provide support for the security-related interests of the United States, it is faced with considering the behavioral responses that drive problems, mitigate interventions, or lead to unintended consequences. The effort described here expands earlier works in using healthcare simulation to develop behavior-aware decision support systems. This report focuses on using qualitative choice techniques and enhancing two analysis models developed in a sister project.

Wave Mechanics or Wave Statistical Mechanics

International Nuclear Information System (INIS)

Qian Shangwu; Xu Laizi

2007-01-01

By comparison between equations of motion of geometrical optics and that of classical statistical mechanics, this paper finds that there should be an analogy between geometrical optics and classical statistical mechanics instead of geometrical mechanics and classical mechanics. Furthermore, by comparison between the classical limit of quantum mechanics and classical statistical mechanics, it finds that classical limit of quantum mechanics is classical statistical mechanics not classical mechanics, hence it demonstrates that quantum mechanics is a natural generalization of classical statistical mechanics instead of classical mechanics. Thence quantum mechanics in its true appearance is a wave statistical mechanics instead of a wave mechanics.

Final Report on Institutional Computing Project s15_hilaserion, “Kinetic Modeling of Next-Generation High-Energy, High-Intensity Laser-Ion Accelerators as an Enabling Capability”

Energy Technology Data Exchange (ETDEWEB)

Albright, Brian James [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Yin, Lin [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Stark, David James [Los Alamos National Lab. (LANL), Los Alamos, NM (United States)

2017-02-06

This proposal sought of order 1M core-hours of Institutional Computing time intended to enable computing by a new LANL Postdoc (David Stark) working under LDRD ER project 20160472ER (PI: Lin Yin) on laser-ion acceleration. The project was “off-cycle,” initiating in June of 2016 with a postdoc hire.

Argonne National Laboratory Annual Report of Laboratory Directed Research and Development program activities FY 2011.

Energy Technology Data Exchange (ETDEWEB)

(Office of The Director)

2012-04-25

As a national laboratory Argonne concentrates on scientific and technological challenges that can only be addressed through a sustained, interdisciplinary focus at a national scale. Argonne's eight major initiatives, as enumerated in its strategic plan, are Hard X-ray Sciences, Leadership Computing, Materials and Molecular Design and Discovery, Energy Storage, Alternative Energy and Efficiency, Nuclear Energy, Biological and Environmental Systems, and National Security. The purposes of Argonne's Laboratory Directed Research and Development (LDRD) Program are to encourage the development of novel technical concepts, enhance the Laboratory's research and development (R and D) capabilities, and pursue its strategic goals. projects are selected from proposals for creative and innovative R and D studies that require advance exploration before they are considered to be sufficiently developed to obtain support through normal programmatic channels. Among the aims of the projects supported by the LDRD Program are the following: establishment of engineering proof of principle, assessment of design feasibility for prospective facilities, development of instrumentation or computational methods or systems, and discoveries in fundamental science and exploratory development.

International physical protection self-assessment tool for chemical facilities.

Energy Technology Data Exchange (ETDEWEB)

Tewell, Craig R.; Burdick, Brent A.; Stiles, Linda L.; Lindgren, Eric Richard

2010-09-01

This report is the final report for Laboratory Directed Research and Development (LDRD) Project No.130746, International Physical Protection Self-Assessment Tool for Chemical Facilities. The goal of the project was to develop an exportable, low-cost, computer-based risk assessment tool for small to medium size chemical facilities. The tool would assist facilities in improving their physical protection posture, while protecting their proprietary information. In FY2009, the project team proposed a comprehensive evaluation of safety and security regulations in the target geographical area, Southeast Asia. This approach was later modified and the team worked instead on developing a methodology for identifying potential targets at chemical facilities. Milestones proposed for FY2010 included characterizing the international/regional regulatory framework, finalizing the target identification and consequence analysis methodology, and developing, reviewing, and piloting the software tool. The project team accomplished the initial goal of developing potential target categories for chemical facilities; however, the additional milestones proposed for FY2010 were not pursued and the LDRD funding therefore was redirected.

A theoretical description of inhomogeneous turbulence

International Nuclear Information System (INIS)

Turner, L.

2000-01-01

This is the final report of a three-year, Laboratory-Directed Research and Development (LDRD) project at the Los Alamos National Laboratory (LANL). In this LDRD, we have developed a highly compact and descriptive formalism that allows us to broach the theoretically formidable morass of inhomogeneous turbulence. Our formalism has two novel aspects: (a) an adaptation of helicity basis functions to represent an arbitrary incompressible channel flow and (b) the invocation of a hypothesis of random phase. A result of this compact formalism is that the mathematical description of inhomogeneous turbulence looks much like that of homogeneous turbulence--at the moment, the most rigorously explored terrain in turbulence research. As a result, we can explore the effect of boundaries on such important quantities as the gradients of mean flow, mean pressure, triple-velocity correlations and pressure velocity correlations, all of which vanish under the conventional, but artificial, assumption that the turbulence is statistically spatially uniform. Under suitable conditions, we have predicted that a mean flow gradient can develop even when none is initially present

Argonne National Laboratory Annual Report of Laboratory Directed Research and Development program activities FY 2010.

Energy Technology Data Exchange (ETDEWEB)

(Office of The Director)

2012-04-25

As a national laboratory Argonne concentrates on scientific and technological challenges that can only be addressed through a sustained, interdisciplinary focus at a national scale. Argonne's eight major initiatives, as enumerated in its strategic plan, are Hard X-ray Sciences, Leadership Computing, Materials and Molecular Design and Discovery, Energy Storage, Alternative Energy and Efficiency, Nuclear Energy, Biological and Environmental Systems, and National Security. The purposes of Argonne's Laboratory Directed Research and Development (LDRD) Program are to encourage the development of novel technical concepts, enhance the Laboratory's research and development (R and D) capabilities, and pursue its strategic goals. projects are selected from proposals for creative and innovative R and D studies that require advance exploration before they are considered to be sufficiently developed to obtain support through normal programmatic channels. Among the aims of the projects supported by the LDRD Program are the following: establishment of engineering proof of principle, assessment of design feasibility for prospective facilities, development of instrumentation or computational methods or systems, and discoveries in fundamental science and exploratory development.

Nevada Test Site-Directed Research and Development: FY 2006 Report

International Nuclear Information System (INIS)

Wil Lewis, editor

2007-01-01

The Nevada Test Site Directed Research and Development (SDRD) program completed its fifth successful year of research and development activities in FY 2006. Forty new projects were selected for funding this year, and ten FY 2005 projects were brought to conclusion. The total funds expended by the SDRD program were $6 million, for an average per-project cost of $120 thousand. Beginning in May, 2006 programmatic burden rates were applied to SDRD project costs. An external audit conducted in September 2006 verified that appropriate accounting practices were applied to the SDRD program. Highlights for the year included: the filing of 27 invention disclosures for intellectual property generated by FY 2006 projects; programmatic adoption of four FY 2005 SDRD-developed technologies; participation in the tri-Lab Laboratory Directed Research and Development (LDRD) and SDRD program review that was broadly attended by NTS, NNSA, LDRD, and U.S. Department of Homeland Security representatives; peer reviews of all FY 2006 projects; and the successful completion of 50 R and D projects, as presented in this report

Molecular Breeding Algae For Improved Traits For The Conversion Of Waste To Fuels And Commodities.

Energy Technology Data Exchange (ETDEWEB)

Bagwell, C. [Savannah River Site (SRS), Aiken, SC (United States). Savannah River National Lab. (SRNL)

2015-10-14

This Exploratory LDRD aimed to develop molecular breeding methodology for biofuel algal strain improvement for applications in waste to energy / commodity conversion technologies. Genome shuffling technologies, specifically protoplast fusion, are readily available for the rapid production of genetic hybrids for trait improvement and have been used successfully in bacteria, yeast, plants and animals. However, genome fusion has not been developed for exploiting the remarkable untapped potential of eukaryotic microalgae for large scale integrated bio-conversion and upgrading of waste components to valued commodities, fuel and energy. The proposed molecular breeding technology is effectively sexual reproduction in algae; though compared to traditional breeding, the molecular route is rapid, high-throughput and permits selection / improvement of complex traits which cannot be accomplished by traditional genetics. Genome fusion technologies are the cutting edge of applied biotechnology. The goals of this Exploratory LDRD were to 1) establish reliable methodology for protoplast production among diverse microalgal strains, and 2) demonstrate genome fusion for hybrid strain production using a single gene encoded trait as a proof of the concept.

Nevada Test Site-Directed Research and Development: FY 2006 Report

Energy Technology Data Exchange (ETDEWEB)

Wil Lewis, editor

2007-08-01

The Nevada Test Site–Directed Research and Development (SDRD) program completed its fifth successful year of research and development activities in FY 2006. Forty new projects were selected for funding this year, and ten FY 2005 projects were brought to conclusion. The total funds expended by the SDRD program were $6 million, for an average per-project cost of $120 thousand. Beginning in May, 2006 programmatic burden rates were applied to SDRD project costs. An external audit conducted in September 2006 verified that appropriate accounting practices were applied to the SDRD program. Highlights for the year included: the filing of 27 invention disclosures for intellectual property generated by FY 2006 projects; programmatic adoption of four FY 2005 SDRD-developed technologies; participation in the tri-Lab Laboratory Directed Research and Development (LDRD) and SDRD program review that was broadly attended by NTS, NNSA, LDRD, and U.S. Department of Homeland Security representatives; peer reviews of all FY 2006 projects; and the successful completion of 50 R&D projects, as presented in this report.

[Utilizing the ultraintense JanUSP laser at LLNL]. 99-ERD-049 Final LDRD Report

International Nuclear Information System (INIS)

Patel, P K; Price, D F; Mackinnon, A J; Springer, P T

2002-01-01

Recent advances in laser and optical technologies have now enabled the current generation of high intensity, ultrashort-pulse lasers to achieve focal intensities of 10 20 -10 21 W/cm 2 in pulse durations of 100-500fs. These ultraintense laser pulses are capable of producing highly relativistic plasma states with densities, temperatures, and pressures rivaling those found in the interiors of stars and nuclear weapons. Utilizing the ultraintense 100TW JanUSP laser at LLNL we have explored the possibility of ion shock heating small micron-sized plasmas to extremely high energy densities approaching 1GJ/g on timescales of a few hundred femtoseconds. The JanUSP laser delivers 10 Joules of energy in a 100fs pulse in a near diffraction-limited beam, producing intensities on target of up to 10 21 W/cm 2 . The electric field of the laser at this intensity ionizes and accelerates electrons to relativistic MeV energies. The sudden ejection of electrons from the focal region produces tremendous electrostatic forces which in turn accelerate heavier ions to MeV energies. The predicted ion flux of 1 MJ/cm 2 is sufficient to achieve thermal equilibrium conditions at high temperature in solid density targets. Our initial experiments were carried out at the available laser contrast of 10 -7 (i.e. the contrast of the amplified spontaneous emission (ASE), and of the pre-pules produced in the regenerative amplifier). We used the nuclear photoactivation of Au-197 samples to measure the gamma production above 12MeV-corresponding to the threshold for the Au-197(y,n) reaction. Since the predominant mechanism for gamma production is through the bremsstrahlung emission of energetic electrons as they pass through the solid target we were able to infer a conversion yield of several percent of the incident laser energy into electrons with energies >12MeV. This result is consistent with the interaction of the main pulse with a large pre-formed plasma. The contrast of the laser was improved to

Development and characterization of 3D, nano-confined multicellular constructs for advanced biohybrid devices.

Energy Technology Data Exchange (ETDEWEB)

Kaehr, Bryan James

2011-09-01

This is the final report for the President Harry S. Truman Fellowship in National Security Science and Engineering (LDRD project 130813) awarded to Dr. Bryan Kaehr from 2008-2011. Biological chemistries, cells, and integrated systems (e.g., organisms, ecologies, etc.) offer important lessons for the design of synthetic strategies and materials. The desire to both understand and ultimately improve upon biological processes has been a driving force for considerable scientific efforts worldwide. However, to impart the useful properties of biological systems into modern devices and materials requires new ideas and technologies. The research herein addresses aspects of these issues through the development of (1) a rapid-prototyping methodology to build 3D bio-interfaces and catalytic architectures, (2) a quantitative method to measure cell/material mechanical interactions in situ and at the microscale, and (3) a breakthrough approach to generate functional biocomposites from bacteria and cultured cells.

LBNL Laboratory Directed Research and Development Program FY2016

Energy Technology Data Exchange (ETDEWEB)

Ho, D.

2017-03-01

The Berkeley Lab Laboratory Directed Research and Development Program FY2016 report is compiled from annual reports submitted by principal investigators following the close of the fiscal year. This report describes the supported projects and summarizes their accomplishments. It constitutes a part of the LDRD program planning and documentation process that includes an annual planning cycle, project selection, implementation and review.

Neutron metrology for SBSS

International Nuclear Information System (INIS)

Morris, C.L.; Anaya, J.M.; Armijo, V.

1998-01-01

This is the final report of a two-year, Laboratory Directed Research and Development (LDRD) project at the Los Alamos National Laboratory (LANL). The goal of this work is to develop new detector technologies for Science-Based Stockpile Stewardship (SBSS) at the Los Alamos Neutron Scattering Center (LANSCE) using existing expertise and infrastructure from the nuclear and particle physics programs at LANL

Laboratory Directed Research and Development Annual Report for 2011

Energy Technology Data Exchange (ETDEWEB)

Hughes, Pamela J.

2012-04-09

This report documents progress made on all LDRD-funded projects during fiscal year 2011. The following topics are discussed: (1) Advanced sensors and instrumentation; (2) Biological Sciences; (3) Chemistry; (4) Earth and space sciences; (5) Energy supply and use; (6) Engineering and manufacturing processes; (7) Materials science and technology; (8) Mathematics and computing sciences; (9) Nuclear science and engineering; and (10) Physics.

Simulations and Experiments of Dynamic Granular Compaction in Non-ideal Geometries

Science.gov (United States)

Homel, Michael; Herbold, Eric; Lind, John; Crum, Ryan; Hurley, Ryan; Akin, Minta; Pagan, Darren; LLNL Team

2017-06-01

Accurately describing the dynamic compaction of granular materials is a persistent challenge in computational mechanics. Using a synchrotron x-ray source we have obtained detailed imaging of the evolving compaction front in synthetic olivine powder impacted at 300 - 600 m / s . To facilitate imaging, a non-traditional sample geometry is used, producing multiple load paths within the sample. We demonstrate that (i) commonly used models for porous compaction may produce inaccurate results for complex loading, even if the 1 - D , uniaxial-strain compaction response is reasonable, and (ii) the experimental results can be used along with simulations to determine parameters for sophisticated constitutive models that more accurately describe the strength, softening, bulking, and poroelastic response. Effects of experimental geometry and alternative configurations are discussed. Our understanding of the material response is further enhanced using mesoscale simulations that allow us to relate the mechanisms of grain fracture, contact, and comminution to the macroscale continuum response. Numerical considerations in both continuum and mesoscale simulations are described. This work was performed under the auspices of the U.S. Department of Energy by Lawrence Livermore National Laboratory under Contract DE-AC52-07NA27344. LDRD#16-ERD-010. LLNL-ABS-725113.

Nevada Test Site-Directed Research, Development, and Demonstration

International Nuclear Information System (INIS)

Will Lewis, Compiler

2006-01-01

The Nevada Test Site-Directed Research, Development, and Demonstration (SDRD) program completed a very successful year of research and development activities in FY 2005. Fifty new projects were selected for funding this year, and five FY 2004 projects were brought to conclusion. The total funds expended by the SDRD program were $5.4 million, for an average per project cost of just under $100,000. Two external audits of SDRD accounting practices were conducted in FY 2005. Both audits found the program's accounting practices consistent with the requirements of DOE Order 413.2A, and one included the observation that the NTS contractor ''did an exceptional job in planning and executing year-start activities.'' Highlights for the year included: the filing of 18 invention disclosures for intellectual property generated by FY 2005 projects; programmatic adoption of 17 FY 2004 SDRD-developed technologies; participation in the tri-lab Laboratory Directed Research and Development (LDRD) and SDRD program review that was broadly attended by NTS, NNSA, LDRD, and U.S. Department of Homeland Security representatives; peer reviews of all FY 2005 projects; and the successful completion of 55 R and D projects, as presented in this report

LABORATORY DIRECTED RESEARCH AND DEVELOPMENT ANNUAL REPORT TO THE DEPARTMENT OF ENERGY - DECEMBER 2006

Energy Technology Data Exchange (ETDEWEB)

FOX, K.J.

2006-12-31

Brookhaven National Laboratory (BNL) is a multidisciplinary laboratory that carries out basic and applied research in the physical, biomedical, and environmental sciences, and in selected energy technologies. It is managed by Brookhaven Science Associates, LLC, (BSA) under contract with the U. S. Department of Energy (DOE). BNL's total annual budget has averaged about $460 million. There are about 2,500 employees, and another 4,500 guest scientists and students who come each year to use the Laboratory's facilities and work with the staff. The BNL Laboratory Directed Research and Development (LDRD) Program reports its status to the U.S. Department of Energy (DOE) annually in March, as required by DOE Order 413.2B, ''Laboratory Directed Research and Development,'' April 19, 2006, and the Roles, Responsibilities, and Guidelines for Laboratory Directed Research and Development at the Department of Energy National Nuclear Security Administration Laboratories dated June 13, 2006. In accordance this is our Annual Report in which we describe the Purpose, Approach, Technical Progress and Results, and Specific Accomplishments of all LDRD projects that received funding during Fiscal Year 2006.

LABORATORY DIRECTED RESEARCH AND DEVELOPMENT PROGRAM ANNUAL REPORT TO THE DEPARTMENT OF ENERGY FOR FISCAL YEAR 1999. THE DEPARTMENT OF ENERGY, DECEMBER 1999.

Energy Technology Data Exchange (ETDEWEB)

PAUL,P.; FOX,K.J.

2000-07-01

In FY 1999, the BNL LDRD Program funded 33 projects, 25 of which were new starts, at a total cost of $4,525,584. A table is presented which lists all of the FY 1999 funded projects and gives a history of funding for each by year. Several of these projects have already experienced varying degrees of success as indicated in the individual Project Program Summaries which are given. A total of 29 informal publications (abstracts, presentations, reports and workshop papers) were reported and an additional 23 formal (full length) papers were either published, are in press or being prepared for publication. The investigators on five projects have filed for patents. Seven of the projects reported that proposals/grants had either been funded or were submitted for funding. The complete summary of follow-on activities is as follows: Information Publications--29, Formal Papers--23, Grants/Proposals/Follow-on Funding--7. In conclusion, a significant measure of success is already attributable to the FY 1999 LDRD Program in the short period of time involved. The Laboratory has experienced a significant scientific gain by these achievements.

Science and technology of reduced-dimensional magnetic materials

International Nuclear Information System (INIS)

Heffner, R.H.; Bishop, A.R.; Hundley, M.F.; Jia, Q.; Neumeier, J.J.; Trugman, S.A.; Thompson, J.D.; Wu, X.D.; Zhang, J.

1998-01-01

This is the final report of a three-year, Laboratory Directed Research and Development (LDRD) project at Los Alamos National Laboratory (LANL). This work involved the synthesis of single crystal and thin film samples of magnetoresistive manganites (LaMnO 3 doped with Ca and Sr) and the characterization of their electronic transport properties to understand the underlying physical mechanisms responsible for the colossal magnetoresistance (CMR) of these materials. The experimental program was supplemented by a modeling effort that sought to develop microscopic mathematical models of the observed phenomena. The authors succeeded in finding an important relation between the magnetization and resistivity in these materials, which helps to explain the importance of lattice distortions accompanied by clusters of ferromagnetic spins (called spin-lattice polarons) in the CMR phenomena. In addition, they developed rudimentary tunnel junctions of CMR-insulator-CMR multilayers that will lead to possible applications of these materials as magnetic sensors

Materials research for PMI at Oak Ridge National Laboratory

Science.gov (United States)

Parish, Chad; Edmondson, Philip; Meyer, Fred; Bannister, Mark; Garrison, Lauren; Unocic, Kinga; Hu, Xunxiang; Katoh, Yutai

2015-11-01

In order to improve the scientific understanding of how materials' structure influences plasma-materials interactions (PMI) and the material response to plasma effects, we have performed a series of ion- and neutron-irradiation experiments on tungsten (W). Single- and polycrystal tungsten developed second phase Re +Os precipitates due to transmutation from High-Flux Isotope Reactor (HFIR) neutron irradiation. The microstructure of these precipitates was investigated with electron and atom probe microscopy, while mechanical testing found a significant degradation in materials properties, such as toughness and strength, which will degrade PMI performance. We have also used a beam-deceleration module on an electron-cyclotron resonance ion source beamline at ORNL to study the effects of W crystallography (specifically surface normal) and the effect of beam incidence angle and beam energy on surface morphology after irradiation. Ongoing plasma-exposure experiments and neutron-irradiation campaigns will be described. Supported by ORNL LDRD program, and Office of Fusion Energy Science, US Department of Energy.

3D deformation field throughout the interior of materials.

Energy Technology Data Exchange (ETDEWEB)

Jin, Huiqing; Lu, Wei-Yang

2013-09-01

This report contains the one-year feasibility study for our three-year LDRD proposal that is aimed to develop an experimental technique to measure the 3D deformation fields inside a material body. In this feasibility study, we first apply Digital Volume Correlation (DVC) algorithm to pre-existing in-situ Xray Computed Tomography (XCT) image sets with pure rigid body translation. The calculated displacement field has very large random errors and low precision that are unacceptable. Then we enhance these tomography images by setting threshold of the intensity of each slice. DVC algorithm is able to obtain accurate deformation fields from these enhanced image sets and the deformation fields are consistent with the global mechanical loading that is applied to the specimen. Through this study, we prove that the internal markers inside the pre-existing tomography images of aluminum alloy can be enhanced and are suitable for DVC to calculate the deformation field throughout the material body.

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.

Quantum computing accelerator I/O : LDRD 52750 final report

International Nuclear Information System (INIS)

Schroeppel, Richard Crabtree; Modine, Normand Arthur; Ganti, Anand; Pierson, Lyndon George; Tigges, Christopher P.

2003-01-01

In a superposition of quantum states, a bit can be in both the states '0' and '1' at the same time. This feature of the quantum bit or qubit has no parallel in classical systems. Currently, quantum computers consisting of 4 to 7 qubits in a 'quantum computing register' have been built. Innovative algorithms suited to quantum computing are now beginning to emerge, applicable to sorting and cryptanalysis, and other applications. A framework for overcoming slightly inaccurate quantum gate interactions and for causing quantum states to survive interactions with surrounding environment is emerging, called quantum error correction. Thus there is the potential for rapid advances in this field. Although quantum information processing can be applied to secure communication links (quantum cryptography) and to crack conventional cryptosystems, the first few computing applications will likely involve a 'quantum computing accelerator' similar to a 'floating point arithmetic accelerator' interfaced to a conventional Von Neumann computer architecture. This research is to develop a roadmap for applying Sandia's capabilities to the solution of some of the problems associated with maintaining quantum information, and with getting data into and out of such a 'quantum computing accelerator'. We propose to focus this work on 'quantum I/O technologies' by applying quantum optics on semiconductor nanostructures to leverage Sandia's expertise in semiconductor microelectronic/photonic fabrication techniques, as well as its expertise in information theory, processing, and algorithms. The work will be guided by understanding of practical requirements of computing and communication architectures. This effort will incorporate ongoing collaboration between 9000, 6000 and 1000 and between junior and senior personnel. Follow-on work to fabricate and evaluate appropriate experimental nano/microstructures will be proposed as a result of this work

LDRD Final Report: Adaptive Methods for Laser Plasma Simulation

International Nuclear Information System (INIS)

Dorr, M R; Garaizar, F X; Hittinger, J A

2003-01-01

The goal of this project was to investigate the utility of parallel adaptive mesh refinement (AMR) in the simulation of laser plasma interaction (LPI). The scope of work included the development of new numerical methods and parallel implementation strategies. The primary deliverables were (1) parallel adaptive algorithms to solve a system of equations combining plasma fluid and light propagation models, (2) a research code implementing these algorithms, and (3) an analysis of the performance of parallel AMR on LPI problems. The project accomplished these objectives. New algorithms were developed for the solution of a system of equations describing LPI. These algorithms were implemented in a new research code named ALPS (Adaptive Laser Plasma Simulator) that was used to test the effectiveness of the AMR algorithms on the Laboratory's large-scale computer platforms. The details of the algorithm and the results of the numerical tests were documented in an article published in the Journal of Computational Physics [2]. A principal conclusion of this investigation is that AMR is most effective for LPI systems that are ''hydrodynamically large'', i.e., problems requiring the simulation of a large plasma volume relative to the volume occupied by the laser light. Since the plasma-only regions require less resolution than the laser light, AMR enables the use of efficient meshes for such problems. In contrast, AMR is less effective for, say, a single highly filamented beam propagating through a phase plate, since the resulting speckle pattern may be too dense to adequately separate scales with a locally refined mesh. Ultimately, the gain to be expected from the use of AMR is highly problem-dependent. One class of problems investigated in this project involved a pair of laser beams crossing in a plasma flow. Under certain conditions, energy can be transferred from one beam to the other via a resonant interaction with an ion acoustic wave in the crossing region. AMR provides an effective means of achieving adequate resolution in the crossing region while avoiding the expense of using the same fine grid everywhere, including the region between the beams where no LPI occurs. We applied ALPS to a suite of problems modeling crossed beam experiments performed on the Omega laser at the University of Rochester. Our simulations contributed to the theoretical interpretation of these experiments, which was recently published in Physical Review Letters [4]. This project has advanced the Laboratory's computational capabilities in the area of AMR algorithms and their application to LPI problems. The knowledge gained and software developed will contribute to the computational tools available for use in the design and interpretation of experiments to be performed at the National Ignition Facility (NIF) in support of Laboratory missions in stockpile stewardship, energy research and high energy density science

FY07 LDRD Final Report Heavy Quark Jet Tomography

International Nuclear Information System (INIS)

Soltz, R.; Newby, J.; Glenn, A.; Klay, J.

2008-01-01

We propose and develop a new signature, the measurement of hadron-electron correlations to measure energy loss of heavy quarks in the quark-gluon plasma. This measurements will be used in future analyses to quantify the energy densities created in collisions of heavy ions at the Relativistic Heavy Ion Collider (RHIC) at Brookhaven National Lab and the Large Hadron Collider (LHC) at CERN. In addition we develop and implement a computing model that will leverage LLNL expertise in cost-effective high performance computing to perform data analyses and simulations for the ALICE experiment at CERN

Chiral multichromic single crystals for optical devices (LDRD 99406).

Energy Technology Data Exchange (ETDEWEB)

Kemp, Richard Alan; Felix, Ana M. (University of New Mexico, Albuquerque, NM)

2006-12-01

This report summarizes our findings during the study of a novel system that yields multi-colored materials as products. This system is quite unusual as it leads to multi-chromic behavior in single crystals, where one would expect that only a single color would exist. We have speculated that these novel solids might play a role in materials applications such as non-linear optics, liquid crystal displays, piezoelectric devices, and other similar applications. The system examined consisted of a main-group alkyl compound (a p block element such as gallium or aluminum) complexed with various organic di-imines. The di-imines had substituents of two types--either alkyl or aromatic groups attached to the nitrogen atoms. We observed that single crystals, characterized by X-ray crystallography, were obtained in most cases. Our research during January-July, 2006, was geared towards understanding the factors leading to the multi-chromic nature of the complexes. The main possibilities put forth initially considered (a) the chiral nature of the main group metal, (b) possible reduction of the metal to a lower-valent, radical state, (c) the nature of the ligand(s) attached to the main group metal, and (d) possible degradation products of the ligand leading to highly-colored products. The work carried out indicates that the most likely explanation considered involves degradation of the aromatic ligands (a combination of (c) and (d)), as the experiments performed can clearly rule out (a) and (b).

Development of efficient, integrated cellulosic biorefineries : LDRD final report.

Energy Technology Data Exchange (ETDEWEB)

Teh, Kwee-Yan; Hecht, Ethan S.; Shaddix, Christopher R.; Buffleben, George M.; Dibble, Dean C.; Lutz, Andrew E.

2010-09-01

Cellulosic ethanol, generated from lignocellulosic biomass sources such as grasses and trees, is a promising alternative to conventional starch- and sugar-based ethanol production in terms of potential production quantities, CO{sub 2} impact, and economic competitiveness. In addition, cellulosic ethanol can be generated (at least in principle) without competing with food production. However, approximately 1/3 of the lignocellulosic biomass material (including all of the lignin) cannot be converted to ethanol through biochemical means and must be extracted at some point in the biochemical process. In this project we gathered basic information on the prospects for utilizing this lignin residue material in thermochemical conversion processes to improve the overall energy efficiency or liquid fuel production capacity of cellulosic biorefineries. Two existing pretreatment approaches, soaking in aqueous ammonia (SAA) and the Arkenol (strong sulfuric acid) process, were implemented at Sandia and used to generated suitable quantities of residue material from corn stover and eucalyptus feedstocks for subsequent thermochemical research. A third, novel technique, using ionic liquids (IL) was investigated by Sandia researchers at the Joint Bioenergy Institute (JBEI), but was not successful in isolating sufficient lignin residue. Additional residue material for thermochemical research was supplied from the dilute-acid simultaneous saccharification/fermentation (SSF) pilot-scale process at the National Renewable Energy Laboratory (NREL). The high-temperature volatiles yields of the different residues were measured, as were the char combustion reactivities. The residue chars showed slightly lower reactivity than raw biomass char, except for the SSF residue, which had substantially lower reactivity. Exergy analysis was applied to the NREL standard process design model for thermochemical ethanol production and from a prototypical dedicated biochemical process, with process data supplied by a recent report from the National Research Council (NRC). The thermochemical system analysis revealed that most of the system inefficiency is associated with the gasification process and subsequent tar reforming step. For the biochemical process, the steam generation from residue combustion, providing the requisite heating for the conventional pretreatment and alcohol distillation processes, was shown to dominate the exergy loss. An overall energy balance with different potential distillation energy requirements shows that as much as 30% of the biomass energy content may be available in the future as a feedstock for thermochemical production of liquid fuels.

LDRD final report on continuous wave intersubband terahertz sources.

Energy Technology Data Exchange (ETDEWEB)

Samora, Sally; Mangan, Michael A.; Foltynowicz, Robert J.; Young, Erik W.; Fuller, Charles T.; Stephenson, Larry L.; Reno, John Louis; Wanke, Michael Clement; Hudgens, James J.

2005-02-01

There is a general lack of compact electromagnetic radiation sources between 1 and 10 terahertz (THz). This a challenging spectral region lying between optical devices at high frequencies and electronic devices at low frequencies. While technologically very underdeveloped the THz region has the promise to be of significant technological importance, yet demonstrating its relevance has proven difficult due to the immaturity of the area. While the last decade has seen much experimental work in ultra-short pulsed terahertz sources, many applications will require continuous wave (cw) sources, which are just beginning to demonstrate adequate performance for application use. In this project, we proposed examination of two potential THz sources based on intersubband semiconductor transitions, which were as yet unproven. In particular we wished to explore quantum cascade lasers based sources and electronic based harmonic generators. Shortly after the beginning of the project, we shifted our emphasis to the quantum cascade lasers due to two events; the publication of the first THz quantum cascade laser by another group thereby proving feasibility, and the temporary shut down of the UC Santa Barbara free-electron lasers which were to be used as the pump source for the harmonic generation. The development efforts focused on two separate cascade laser thrusts. The ultimate goal of the first thrust was for a quantum cascade laser to simultaneously emit two mid-infrared frequencies differing by a few THz and to use these to pump a non-linear optical material to generate THz radiation via parametric interactions in a specifically engineered intersubband transition. While the final goal was not realized by the end of the project, many of the completed steps leading to the goal will be described in the report. The second thrust was to develop direct THz QC lasers operating at terahertz frequencies. This is simpler than a mixing approach, and has now been demonstrated by a few groups with wavelengths spanning 65-150 microns. We developed and refined the MBE growth for THz for both internally and externally designed QC lasers. Processing related issues continued to plague many of our demonstration efforts and will also be addressed in this report.

LDRD Final Report: Capabilities for Uncertainty in Predictive Science.

Energy Technology Data Exchange (ETDEWEB)

Phipps, Eric Todd; Eldred, Michael S; Salinger, Andrew G.; Webster, Clayton G.

2008-10-01

Predictive simulation of systems comprised of numerous interconnected, tightly coupled com-ponents promises to help solve many problems of scientific and national interest. Howeverpredictive simulation of such systems is extremely challenging due to the coupling of adiverse set of physical and biological length and time scales. This report investigates un-certainty quantification methods for such systems that attempt to exploit their structure togain computational efficiency. The traditional layering of uncertainty quantification aroundnonlinear solution processes is inverted to allow for heterogeneous uncertainty quantificationmethods to be applied to each component in a coupled system. Moreover this approachallows stochastic dimension reduction techniques to be applied at each coupling interface.The mathematical feasibility of these ideas is investigated in this report, and mathematicalformulations for the resulting stochastically coupled nonlinear systems are developed.3

Quality prediction and mistake proofing: An LDRD final report

Energy Technology Data Exchange (ETDEWEB)

McDonald, M.J.

1998-03-01

Sandia National Laboratories is responsible for assuring that the US nuclear deterrent remains credible and that the one in a billion disaster of unintended nuclear detonation never occurs. Letting mistake-generated defects into the stockpile would undermine its mission. The current era of shrinking stockpiles is shrinking Sandia`s opportunities to discover and correct mistakes and fine tune processes over long production runs. In response, Sandia has chosen to develop and use a science-based, life cycle systems engineering practices that, in part, require understanding the design to manufacturing issues in enough detail to tune processes and eliminate mistakes before ever making a part. Defect prevention is a key area of concern that currently lacks sufficient theoretical understanding. This report is the result of a scoping study in the application of best-practice quality techniques that could address Sandia`s stockpile mission. The study provides detail on sources and control of mistakes, poka-yoke or mistake-proofing techniques, the Toyota Production system, and design theory in relation to manufacturing quality prediction. Scoping experiments are described and areas for future research are identified.

High mechanical advantage design of six-bar Stephenson mechanism for servo mechanical presses

Directory of Open Access Journals (Sweden)

Jianguo Hu

2016-06-01

Full Text Available This article proposed a two-phase design scheme of Stephenson six-bar working mechanisms for servo mechanical presses with high mechanical advantage. In the qualitative design phase, first, a Stephenson six-bar mechanism with a slide was derived from Stephenson six-bar kinematic chains. Second, based on the instant center analysis method, the relationship between mechanical advantage and some special instant centers was founded, and accordingly a primary mechanism configuration with high mechanical advantage was designed qualitatively. Then, a parameterized prototype model was established, and the influences of design parameters toward slide kinematical characteristics were analyzed. In the quantitative design phase, a multi-objective optimization model, aiming at high mechanical advantage and dwelling characteristics, was built, and a case design was done to find optimal dimensions. Finally, simulations based on the software ADAMS were conducted to compare the transmission characteristics of the optimized working mechanism with that of slide-crank mechanism and symmetrical toggle mechanism, and an experimental press was made to validate the design scheme. The simulation and experiment results show that, compared with general working mechanisms, the Stephenson six-bar working mechanism has higher mechanical advantage and better dwelling characteristics, reducing capacities and costs of servo motors effectively.

LABORATORY DIRECTED RESEARCH AND DEVELOPMENT ANNUAL REPORT TO THE DEPARTMENT OF ENERGY - DECEMBER 2000.

Energy Technology Data Exchange (ETDEWEB)

FOX,K.J.

2000-12-31

The goals and objectives of BNL's LDRD Program can be inferred from the Program's stated purposes. These are to (1) encourage and support the development of new ideas and technology, (2) promote the early exploration and I exploitation of creative and innovative concepts, and (3) develop new ''fundable'' R&D projects and programs. The emphasis is clearly articulated by BNL to be on supporting exploratory research ''which could lead to new programs, ,projects, and directions'' for the Laboratory. As one of the premier scientific laboratories of the DOE, BNL must continuously foster groundbreaking scientific research. At Brookhaven National Laboratory one such method is through its Laboratory Directed Research and Development Program. This discretionary research and development tool is critical in maintaining the scientific excellence and long-term vitality of the Laboratory. Additionally, it is a means to stimulate the scientific community, fostering new science and technology ideas, which is a major factor in achieving and maintaining staff excellence and a means to address national needs within the overall mission of the DOE and BNL. The LDRD Annual Report contains summaries of all research activities funded during Fiscal Year 2000. The Project Summaries with their accomplishments described in this report reflect the above. Aside from leading to new fundable or promising programs and producing especially noteworthy research, they have resulted in numerous publications in various professional and scientific journals and presentations at meetings and forums. All FY 2000 projects are listed and tabulated in the Project Funding Table. Also included in this Annual Report in Appendix A is a summary of the proposed projects for FY 2001. The BNL LDRD budget authority by DOE in FY 2000 was $6 million. The.actual allocation totaled $5.5 million. The following sections in this report contain the management processes, peer

Viral RNA testing and automation on the bead-based CBNE detection microsystem.

Energy Technology Data Exchange (ETDEWEB)

Galambos, Paul C.; Bourdon, Christopher Jay; Farrell, Cara M.; Rossito, Paul (University of California at Davis); McClain, Jaime L.; Derzon, Mark Steven; Cullor, James Sterling (University of California at Davis); Rahimian, Kamayar

2008-09-01

We developed prototype chemistry for nucleic acid hybridization on our bead-based diagnostics platform and we established an automatable bead handling protocol capable of 50 part-per-billion (ppb) sensitivity. We are working towards a platform capable of parallel, rapid (10 minute), raw sample testing for orthogonal (in this case nucleic acid and immunoassays) identification of biological (and other) threats in a single sensor microsystem. In this LDRD we developed the nucleic acid chemistry required for nucleic acid hybridization. Our goal is to place a non-cell associated RNA virus (Bovine Viral Diarrhea, BVD) on the beads for raw sample testing. This key pre-requisite to showing orthogonality (nucleic acid measurements can be performed in parallel with immunoassay measurements). Orthogonal detection dramatically reduces false positives. We chose BVD because our collaborators (UC-Davis) can supply samples from persistently infected animals; and because proof-of-concept field testing can be performed with modification of the current technology platform at the UC Davis research station. Since BVD is a cattle-prone disease this research dovetails with earlier immunoassay work on Botulinum toxin simulant testing in raw milk samples. Demonstration of BVD RNA detection expands the repertoire of biological macromolecules that can be adapted to our bead-based detection. The resources of this late start LDRD were adequate to partially demonstrate the conjugation of the beads to the nucleic acids. It was never expected to be adequate for a full live virus test but to motivate that additional investment. In addition, we were able to reduce the LOD (Limit of Detection) for the botulinum toxin stimulant to 50 ppb from the earlier LOD of 1 ppm. A low LOD combined with orthogonal detection provides both low false negatives and low false positives. The logical follow-on steps to this LDRD research are to perform live virus identification as well as concurrent nucleic acid and

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.

Mechanics without mechanisms

Science.gov (United States)

Eisenthal, Joshua

2018-05-01

At the time of Heinrich Hertz's premature death in 1894, he was regarded as one of the leading scientists of his generation. However, the posthumous publication of his treatise in the foundations of physics, Principles of Mechanics, presents a curious historical situation. Although Hertz's book was widely praised and admired, it was also met with a general sense of dissatisfaction. Almost all of Hertz's contemporaries criticized Principles for the lack of any plausible way to construct a mechanism from the "hidden masses" that are particularly characteristic of Hertz's framework. This issue seemed especially glaring given the expectation that Hertz's work might lead to a model of the underlying workings of the ether. In this paper I seek an explanation for why Hertz seemed so unperturbed by the difficulties of constructing such a mechanism. In arriving at this explanation, I explore how the development of Hertz's image-theory of representation framed the project of Principles. The image-theory brings with it an austere view of the "essential content" of mechanics, only requiring a kind of structural isomorphism between symbolic representations and target phenomena. I argue that bringing this into view makes clear why Hertz felt no need to work out the kinds of mechanisms that many of his readers looked for. Furthermore, I argue that a crucial role of Hertz's hypothesis of hidden masses has been widely overlooked. Far from acting as a proposal for the underlying structure of the ether, I show that Hertz's hypothesis ruled out knowledge of such underlying structure.

Potential applications of nanostructured materials in nuclear waste management.

Energy Technology Data Exchange (ETDEWEB)

Braterman, Paul S. (The University of North Texas, Denton, TX); Phol, Phillip Isabio; Xu, Zhi-Ping (The University of North Texas, Denton, TX); Brinker, C. Jeffrey; Yang, Yi (University of New Mexico, Albuquerque, NM); Bryan, Charles R.; Yu, Kui; Xu, Huifang (University of New Mexico, Albuquerque, NM); Wang, Yifeng; Gao, Huizhen

2003-09-01

This report summarizes the results obtained from a Laboratory Directed Research & Development (LDRD) project entitled 'Investigation of Potential Applications of Self-Assembled Nanostructured Materials in Nuclear Waste Management'. The objectives of this project are to (1) provide a mechanistic understanding of the control of nanometer-scale structures on the ion sorption capability of materials and (2) develop appropriate engineering approaches to improving material properties based on such an understanding.

Applications of the 3-D Deterministic Transport Attila(regsign) for Core Safety Analysis

International Nuclear Information System (INIS)

Lucas, D.S.; Gougar, D.; Roth, P.A.; Wareing, T.; Failla, G.; McGhee, J.; Barnett, A.

2004-01-01

An LDRD (Laboratory Directed Research and Development) project is ongoing at the Idaho National Engineering and Environmental Laboratory (INEEL) for applying the three-dimensional multi-group deterministic neutron transport code (Attila(reg s ign)) to criticality, flux and depletion calculations of the Advanced Test Reactor (ATR). This paper discusses the model development, capabilities of Attila, generation of the cross-section libraries, and comparisons to an ATR MCNP model and future

Investigation of Nonholonomic Mechanics, Vakonomic Mechanics ...

African Journals Online (AJOL)

In this article, methods of modeling dynamic systems namely, Nonholonomic mechanics, Vakonomic mechanics and Chetaev methods for constrained dynamic system are investigated. The fact that Vakonomic mechanics gives a different motion equation to the other methods is verified using a particular example. It is shown ...

Fracture Mechanics

International Nuclear Information System (INIS)

Jang, Dong Il; Jeong, Gyeong Seop; Han, Min Gu

1992-08-01

This book introduces basic theory and analytical solution of fracture mechanics, linear fracture mechanics, non-linear fracture mechanics, dynamic fracture mechanics, environmental fracture and fatigue fracture, application on design fracture mechanics, application on analysis of structural safety, engineering approach method on fracture mechanics, stochastic fracture mechanics, numerical analysis code and fracture toughness test and fracture toughness data. It gives descriptions of fracture mechanics to theory and analysis from application of engineering.

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.

Hardware demonstration of high-speed networks for satellite applications.

Energy Technology Data Exchange (ETDEWEB)

Donaldson, Jonathon W.; Lee, David S.

2008-09-01

This report documents the implementation results of a hardware demonstration utilizing the Serial RapidIO{trademark} and SpaceWire protocols that was funded by Sandia National Laboratories (SNL's) Laboratory Directed Research and Development (LDRD) office. This demonstration was one of the activities in the Modeling and Design of High-Speed Networks for Satellite Applications LDRD. This effort has demonstrated the transport of application layer packets across both RapidIO and SpaceWire networks to a common downlink destination using small topologies comprised of commercial-off-the-shelf and custom devices. The RapidFET and NEX-SRIO debug and verification tools were instrumental in the successful implementation of the RapidIO hardware demonstration. The SpaceWire hardware demonstration successfully demonstrated the transfer and routing of application data packets between multiple nodes and also was able reprogram remote nodes using configuration bitfiles transmitted over the network, a key feature proposed in node-based architectures (NBAs). Although a much larger network (at least 18 to 27 nodes) would be required to fully verify the design for use in a real-world application, this demonstration has shown that both RapidIO and SpaceWire are capable of routing application packets across a network to a common downlink node, illustrating their potential use in real-world NBAs.

Nevada Test Site-Directed Research, Development, and Demonstration. FY2005 report

Energy Technology Data Exchange (ETDEWEB)

Lewis, Will [comp.

2006-09-01

The Nevada Test Site-Directed Research, Development, and Demonstration (SDRD) program completed a very successful year of research and development activities in FY 2005. Fifty new projects were selected for funding this year, and five FY 2004 projects were brought to conclusion. The total funds expended by the SDRD program were $5.4 million, for an average per project cost of just under $100,000. Two external audits of SDRD accounting practices were conducted in FY 2005. Both audits found the program's accounting practices consistent with the requirements of DOE Order 413.2A, and one included the observation that the NTS contractor ''did an exceptional job in planning and executing year-start activities.'' Highlights for the year included: the filing of 18 invention disclosures for intellectual property generated by FY 2005 projects; programmatic adoption of 17 FY 2004 SDRD-developed technologies; participation in the tri-lab Laboratory Directed Research and Development (LDRD) and SDRD program review that was broadly attended by NTS, NNSA, LDRD, and U.S. Department of Homeland Security representatives; peer reviews of all FY 2005 projects; and the successful completion of 55 R&D projects, as presented in this report.

Mechanisms Design

DEFF Research Database (Denmark)

Restrepo-Giraldo, John Dairo

2006-01-01

Most products and machines involve some kind of controlled movement. From window casements to DVD players, from harbor cranes to the shears to prune your garden, all these machines require mechanisms to move. This course intends to provide the analytical and conceptual tools to design such mechan......Most products and machines involve some kind of controlled movement. From window casements to DVD players, from harbor cranes to the shears to prune your garden, all these machines require mechanisms to move. This course intends to provide the analytical and conceptual tools to design...... using criteria such as size, performance parameters, operation environment, etc. Content: Understanding Mechanisms Design (2 weeks) Definitions, mechanisms representations, kinematic diagrams, the four bar linkage, mobility, applications of mechanisms, types of mechanisms, special mechanisms, the design......: equations for various mechanisms. At the end of this module you will be able to analyze existing mechanisms and to describe their movement. Designing mechanisms (7 weeks) Type synthesis and dimensional synthesis, function generation, path generation, three precision points in multi-loop mechanisms...

Quantitative laboratory measurements of biogeochemical processes controlling biogenic calcite carbon sequestration.

Energy Technology Data Exchange (ETDEWEB)

Zendejas, Frank; Lane, Todd W.; Lane, Pamela D.

2011-01-01

The purpose of this LDRD was to generate data that could be used to populate and thereby reduce the uncertainty in global carbon cycle models. These efforts were focused on developing a system for determining the dissolution rate of biogenic calcite under oceanic pressure and temperature conditions and on carrying out a digital transcriptomic analysis of gene expression in response to changes in pCO2, and the consequent acidification of the growth medium.

Neutrino Physics at Fermilab

International Nuclear Information System (INIS)

Federspiel, F.; Garvey, G.; Louis, W.C.; Mills, G.B.; Tayloe, R.; Sandberg, V.; Sapp, B.; White, D.H.

1999-01-01

The Liquid Scintillator Neutrino Detector (LSND), located at the LANSCE (formerly LAMPF) linear accelerator at Los Alamos National Laboratory, has seen evidence for the oscillation of neutrinos, and hence neutrino mass. That discovery was the impetus for this LDRD project, begun in 1996. The goal of this project was to define the appropriate technologies to use in a follow up experiment and to set in place the requirements for such an experiment

Laboratory-directed research and development

International Nuclear Information System (INIS)

Gerstl, S.A.W.; Caughran, A.B.

1992-05-01

This report summarizes progress from the Laboratory-Directed Research and Development (LDRD) program during fiscal year 1991. In addition to a programmatic and financial overview, the report includes progress reports from 230 individual R ampersand D projects in 9 scientific categories: atomic and molecular physics; biosciences; chemistry; engineering and base technologies; geosciences; space sciences, and astrophysics; materials sciences; mathematics and computational sciences; nuclear and particle physics; and plasmas, fluids, and particle beams

Neutron structural biology

International Nuclear Information System (INIS)

Schoenborn, B.

1997-01-01

This is the final report of a one-year, Laboratory Directed Research and Development (LDRD) project at Los Alamos National Laboratory (LANL). We investigated design concepts of neutron scattering capabilities for structural biology at spallation sources. This included the analysis of design parameters for protein crystallography as well as membrane diffraction instruments. These instruments are designed to be general user facilities and will be used by scientists from industry, universities, and other national laboratories

Exploring and testing the Standard Model and beyond

International Nuclear Information System (INIS)

West, G.; Cooper, F.; Ginsparg, P.; Habib, S.; Gupta, R.; Mottola, E.; Nieto, M.; Mattis, M.

1998-01-01

This is the final report of a three-year, Laboratory Directed Research and Development (LDRD) project at Los Alamos National Laboratory (LANL). The goal of this project was to extend and develop the predictions of the Standard Model of particle physics in several different directions. This includes various aspects of the strong nuclear interactions in quantum chromodynamics (QCD), electroweak interactions and the origin of baryon asymmetry in the universe, as well as gravitational physics

Continuum mechanics

CERN Document Server

Spencer, A J M

2004-01-01

The mechanics of fluids and the mechanics of solids represent the two major areas of physics and applied mathematics that meet in continuum mechanics, a field that forms the foundation of civil and mechanical engineering. This unified approach to the teaching of fluid and solid mechanics focuses on the general mechanical principles that apply to all materials. Students who have familiarized themselves with the basic principles can go on to specialize in any of the different branches of continuum mechanics. This text opens with introductory chapters on matrix algebra, vectors and Cartesian ten

Topological Higgs mechanism with ordinary Higgs mechanism

International Nuclear Information System (INIS)

Oda Ichiro; Yahikozawa Shigeaki.

1989-12-01

Topological Higgs mechanism in higher dimensions is analyzed when ordinary Higgs potential exists. It is shown that if one-form B-field becomes massive by the ordinary Higgs mechanism, another D-2 form C-field also becomes massive through topological term in addition to the topological mass generation by the topological Higgs mechanism. Moreover we investigate this mechanism in three dimensional theories, that is to say, Chern-Simons theory and more general theory. (author). 10 refs

Analytical mechanics for relativity and quantum mechanics

CERN Document Server

Johns, Oliver Davis

2011-01-01

Analytical Mechanics for Relativity and Quantum Mechanics is an innovative and mathematically sound treatment of the foundations of analytical mechanics and the relation of classical mechanics to relativity and quantum theory. It is intended for use at the introductory graduate level. A distinguishing feature of the book is its integration of special relativity into teaching of classical mechanics. After a thorough review of the traditional theory, Part II of the book introduces extended Lagrangian and Hamiltonian methods that treat time as a transformable coordinate rather than the fixed parameter of Newtonian physics. Advanced topics such as covariant Langrangians and Hamiltonians, canonical transformations, and Hamilton-Jacobi methods are simplified by the use of this extended theory. And the definition of canonical transformation no longer excludes the Lorenz transformation of special relativity. This is also a book for those who study analytical mechanics to prepare for a critical exploration of quantum...

Mechanical stop mechanism for overcoming MEMS fabrication tolerances

International Nuclear Information System (INIS)

Hussein, Hussein; Bourbon, Gilles; Le Moal, Patrice; Lutz, Philippe; Haddab, Yassine

2017-01-01

A mechanical stop mechanism is developed in order to compensate MEMS fabrication tolerances in discrete positioning. The mechanical stop mechanism is designed to be implemented on SOI wafers using a common DRIE etching process. The various fabrication tolerances obtained due to the etching process are presented and discussed in the paper. The principle and design of the mechanism are then presented. Finally, experiments on microfabricated positioning prototypes show accurate steps unaffected by the fabrication tolerances. (technical note)

Puzzling Mechanisms

Science.gov (United States)

van Deventer, M. Oskar

2009-01-01

The basis of a good mechanical puzzle is often a puzzling mechanism. This article will introduce some new puzzling mechanisms, like two knots that engage like gears, a chain whose links can be interchanged, and flat gears that do not come apart. It illustrates how puzzling mechanisms can be transformed into real mechanical puzzles, e.g., by…

Classical Mechanics as Nonlinear Quantum Mechanics

International Nuclear Information System (INIS)

Nikolic, Hrvoje

2007-01-01

All measurable predictions of classical mechanics can be reproduced from a quantum-like interpretation of a nonlinear Schroedinger equation. The key observation leading to classical physics is the fact that a wave function that satisfies a linear equation is real and positive, rather than complex. This has profound implications on the role of the Bohmian classical-like interpretation of linear quantum mechanics, as well as on the possibilities to find a consistent interpretation of arbitrary nonlinear generalizations of quantum mechanics

LDRD Program Gives NREL Researchers Path Toward Innovation | News | NREL

Science.gov (United States)

, solar panels, and an electric vehicle in addition to the air conditioner. A simulation will take into account the amount of energy generated by the solar panels and the amount of electricity the various

LDRD final report on intelligent polymers for nanodevice performance control

Energy Technology Data Exchange (ETDEWEB)

JAMISON,GREGORY M.; LOY,DOUGLAS A.; WHEELER,DAVID R.; SAUNDERS,RANDALL S.L; SHELNUTT,JOHN A.; CARR,MARTIN J.; SHALTOUT,RAAFAT M.

2000-01-01

A variety of organic and hybrid organic-inorganic polymer systems were prepared and evaluated for their bulk response to optical, thermal and chemical environmental changes. These included modeling studies of polyene-bridged metal porphyrin systems, metal-mediated oligomerization of phosphaalkynes as heteroatomic analogues to polyacetylene monomers, investigations of chemically amplified degradation of acid- and base-sensitive polymers and thermally responsive thermoplastic thermosets based on Diels-Alder cycloaddition chemistry. The latter class of materials was utilized to initiate work to develop a new technique for rapidly building a library of systems with varying depolymerization temperatures.

Peer-to-peer architectures for exascale computing : LDRD final report.

Energy Technology Data Exchange (ETDEWEB)

Vorobeychik, Yevgeniy; Mayo, Jackson R.; Minnich, Ronald G.; Armstrong, Robert C.; Rudish, Donald W.

2010-09-01

The goal of this research was to investigate the potential for employing dynamic, decentralized software architectures to achieve reliability in future high-performance computing platforms. These architectures, inspired by peer-to-peer networks such as botnets that already scale to millions of unreliable nodes, hold promise for enabling scientific applications to run usefully on next-generation exascale platforms ({approx} 10{sup 18} operations per second). Traditional parallel programming techniques suffer rapid deterioration of performance scaling with growing platform size, as the work of coping with increasingly frequent failures dominates over useful computation. Our studies suggest that new architectures, in which failures are treated as ubiquitous and their effects are considered as simply another controllable source of error in a scientific computation, can remove such obstacles to exascale computing for certain applications. We have developed a simulation framework, as well as a preliminary implementation in a large-scale emulation environment, for exploration of these 'fault-oblivious computing' approaches. High-performance computing (HPC) faces a fundamental problem of increasing total component failure rates due to increasing system sizes, which threaten to degrade system reliability to an unusable level by the time the exascale range is reached ({approx} 10{sup 18} operations per second, requiring of order millions of processors). As computer scientists seek a way to scale system software for next-generation exascale machines, it is worth considering peer-to-peer (P2P) architectures that are already capable of supporting 10{sup 6}-10{sup 7} unreliable nodes. Exascale platforms will require a different way of looking at systems and software because the machine will likely not be available in its entirety for a meaningful execution time. Realistic estimates of failure rates range from a few times per day to more than once per hour for these platforms. P2P architectures give us a starting point for crafting applications and system software for exascale. In the context of the Internet, P2P applications (e.g., file sharing, botnets) have already solved this problem for 10{sup 6}-10{sup 7} nodes. Usually based on a fractal distributed hash table structure, these systems have proven robust in practice to constant and unpredictable outages, failures, and even subversion. For example, a recent estimate of botnet turnover (i.e., the number of machines leaving and joining) is about 11% per week. Nonetheless, P2P networks remain effective despite these failures: The Conficker botnet has grown to {approx} 5 x 10{sup 6} peers. Unlike today's system software and applications, those for next-generation exascale machines cannot assume a static structure and, to be scalable over millions of nodes, must be decentralized. P2P architectures achieve both, and provide a promising model for 'fault-oblivious computing'. This project aimed to study the dynamics of P2P networks in the context of a design for exascale systems and applications. Having no single point of failure, the most successful P2P architectures are adaptive and self-organizing. While there has been some previous work applying P2P to message passing, little attention has been previously paid to the tightly coupled exascale domain. Typically, the per-node footprint of P2P systems is small, making them ideal for HPC use. The implementation on each peer node cooperates en masse to 'heal' disruptions rather than relying on a controlling 'master' node. Understanding this cooperative behavior from a complex systems viewpoint is essential to predicting useful environments for the inextricably unreliable exascale platforms of the future. We sought to obtain theoretical insight into the stability and large-scale behavior of candidate architectures, and to work toward leveraging Sandia's Emulytics platform to test promising candidates in a realistic (ultimately {ge} 10{sup 7} nodes) setting. Our primary example applications are drawn from linear algebra: a Jacobi relaxation solver for the heat equation, and the closely related technique of value iteration in optimization. We aimed to apply P2P concepts in designing implementations capable of surviving an unreliable machine of 10{sup 6} nodes.

FPGAs in High Perfomance Computing: Results from Two LDRD Projects.

Energy Technology Data Exchange (ETDEWEB)

Underwood, Keith D; Ulmer, Craig D.; Thompson, David; Hemmert, Karl Scott

2006-11-01

Field programmable gate arrays (FPGAs) have been used as alternative computational de-vices for over a decade; however, they have not been used for traditional scientific com-puting due to their perceived lack of floating-point performance. In recent years, there hasbeen a surge of interest in alternatives to traditional microprocessors for high performancecomputing. Sandia National Labs began two projects to determine whether FPGAs wouldbe a suitable alternative to microprocessors for high performance scientific computing and,if so, how they should be integrated into the system. We present results that indicate thatFPGAs could have a significant impact on future systems. FPGAs have thepotentialtohave order of magnitude levels of performance wins on several key algorithms; however,there are serious questions as to whether the system integration challenge can be met. Fur-thermore, there remain challenges in FPGA programming and system level reliability whenusing FPGA devices.4 AcknowledgmentArun Rodrigues provided valuable support and assistance in the use of the Structural Sim-ulation Toolkit within an FPGA context. Curtis Janssen and Steve Plimpton provided valu-able insights into the workings of two Sandia applications (MPQC and LAMMPS, respec-tively).5

[Industrial production of the LDRD "Siberia-N" digital radiographic devices].

Science.gov (United States)

Baru, S E; Ukraintsev, Iu G

2004-01-01

It is envisaged, as a key task, in the Federal Program on Tuberculosis Monitoring, that preventive measures and early TB detection is a priority. Fluorography, which is important for the recognition of pulmonary tuberculosis at its early stages, has been used in the diagnostics of pulmonary pathologies. However, according to the statistics provided by the Russian Ministry of Healthcare, around 80% of available medical equipment is now worn and obsolete. Owing to a fruitful research activity related with designing a digital low-dose X-Ray unit (Siberia-N) carried out by the Budker Institute of Nuclear Physics, Siberian Branch of the Russian Academy of Sciences (Novosibirsk), a certain progress can be stated in perfecting the fluorography equipment in Russia. The above unit incorporates all advanced achievements in the field of digital X-Ray diagnostics.

Quantum mechanics

International Nuclear Information System (INIS)

Anon.

1990-01-01

The book is on quantum mechanics. The emphasis is on the basic concepts and the methodology. The chapters include: Breakdown of classical concepts; Quantum mechanical concepts; Basic postulates of quantum mechanics; solution of problems in quantum mechanics; Simple harmonic oscillator; and Angular Momentum

Hybrid methods for cybersecurity analysis :

Energy Technology Data Exchange (ETDEWEB)

Davis, Warren Leon,; Dunlavy, Daniel M.

2014-01-01

Early 2010 saw a signi cant change in adversarial techniques aimed at network intrusion: a shift from malware delivered via email attachments toward the use of hidden, embedded hyperlinks to initiate sequences of downloads and interactions with web sites and network servers containing malicious software. Enterprise security groups were well poised and experienced in defending the former attacks, but the new types of attacks were larger in number, more challenging to detect, dynamic in nature, and required the development of new technologies and analytic capabilities. The Hybrid LDRD project was aimed at delivering new capabilities in large-scale data modeling and analysis to enterprise security operators and analysts and understanding the challenges of detection and prevention of emerging cybersecurity threats. Leveraging previous LDRD research e orts and capabilities in large-scale relational data analysis, large-scale discrete data analysis and visualization, and streaming data analysis, new modeling and analysis capabilities were quickly brought to bear on the problems in email phishing and spear phishing attacks in the Sandia enterprise security operational groups at the onset of the Hybrid project. As part of this project, a software development and deployment framework was created within the security analyst work ow tool sets to facilitate the delivery and testing of new capabilities as they became available, and machine learning algorithms were developed to address the challenge of dynamic threats. Furthermore, researchers from the Hybrid project were embedded in the security analyst groups for almost a full year, engaged in daily operational activities and routines, creating an atmosphere of trust and collaboration between the researchers and security personnel. The Hybrid project has altered the way that research ideas can be incorporated into the production environments of Sandias enterprise security groups, reducing time to deployment from months and

Laboratory-Directed Research and Development 2016 Summary Annual Report

International Nuclear Information System (INIS)

Pillai, Rekha Sukamar; Jacobson, Julie Ann

2017-01-01

The Laboratory-Directed Research and Development (LDRD) Program at Idaho National Laboratory (INL) reports its status to the U.S. Department of Energy (DOE) by March of each year. The program operates under the authority of DOE Order 413.2C, 'Laboratory Directed Research and Development' (April 19, 2006), which establishes DOE's requirements for the program while providing the laboratory director broad flexibility for program implementation. LDRD funds are obtained through a charge to all INL programs. This report includes summaries of all INL LDRD research activities supported during Fiscal Year (FY) 2016. INL is the lead laboratory for the DOE Office of Nuclear Energy (DOE-NE). The INL mission is to discover, demonstrate, and secure innovative nuclear energy solutions, other clean energy options, and critical infrastructure with a vision to change the world's energy future and secure our critical infrastructure. Operating since 1949, INL is the nation's leading research, development, and demonstration center for nuclear energy, including nuclear nonproliferation and physical and cyber-based protection of energy systems and critical infrastructure, as well as integrated energy systems research, development, demonstration, and deployment. INL has been managed and operated by Battelle Energy Alliance, LLC (a wholly owned company of Battelle) for DOE since 2005. Battelle Energy Alliance, LLC, is a partnership between Battelle, BWX Technologies, Inc., AECOM, the Electric Power Research Institute, the National University Consortium (Massachusetts Institute of Technology, Ohio State University, North Carolina State University, University of New Mexico, and Oregon State University), and the Idaho university collaborators (i.e., University of Idaho, Idaho State University, and Boise State University). Since its creation, INL's research and development (R&D) portfolio has broadened with targeted programs supporting national missions to advance nuclear energy, enable clean

Short Pulse Laser Applications Design

International Nuclear Information System (INIS)

Town, R.J.; Clark, D.S.; Kemp, A.J.; Lasinski, B.F.; Tabak, M.

2008-01-01

We are applying our recently developed, LDRD-funded computational simulation tool to optimize and develop applications of Fast Ignition (FI) for stockpile stewardship. This report summarizes the work performed during a one-year exploratory research LDRD to develop FI point designs for the National Ignition Facility (NIF). These results were sufficiently encouraging to propose successfully a strategic initiative LDRD to design and perform the definitive FI experiment on the NIF. Ignition experiments on the National Ignition Facility (NIF) will begin in 2010 using the central hot spot (CHS) approach, which relies on the simultaneous compression and ignition of a spherical fuel capsule. Unlike this approach, the fast ignition (FI) method separates fuel compression from the ignition phase. In the compression phase, a laser such as NIF is used to implode a shell either directly, or by x rays generated from the hohlraum wall, to form a compact dense (∼300 g/cm 3 ) fuel mass with an areal density of ∼3.0 g/cm 2 . To ignite such a fuel assembly requires depositing ∼20kJ into a ∼35 (micro)m spot delivered in a short time compared to the fuel disassembly time (∼20ps). This energy is delivered during the ignition phase by relativistic electrons generated by the interaction of an ultra-short high-intensity laser. The main advantages of FI over the CHS approach are higher gain, a lower ignition threshold, and a relaxation of the stringent symmetry requirements required by the CHS approach. There is worldwide interest in FI and its associated science. Major experimental facilities are being constructed which will enable 'proof of principle' tests of FI in integrated subignition experiments, most notably the OMEGA-EP facility at the University of Rochester's Laboratory of Laser Energetics and the FIREX facility at Osaka University in Japan. Also, scientists in the European Union have recently proposed the construction of a new FI facility, called HiPER, designed to

Additive Manufactured Superconducting Cavities

Science.gov (United States)

Holland, Eric; Rosen, Yaniv; Woolleet, Nathan; Materise, Nicholas; Voisin, Thomas; Wang, Morris; Mireles, Jorge; Carosi, Gianpaolo; Dubois, Jonathan

Superconducting radio frequency cavities provide an ultra-low dissipative environment, which has enabled fundamental investigations in quantum mechanics, materials properties, and the search for new particles in and beyond the standard model. However, resonator designs are constrained by limitations in conventional machining techniques. For example, current through a seam is a limiting factor in performance for many waveguide cavities. Development of highly reproducible methods for metallic parts through additive manufacturing, referred to colloquially as 3D printing\\x9D, opens the possibility for novel cavity designs which cannot be implemented through conventional methods. We present preliminary investigations of superconducting cavities made through a selective laser melting process, which compacts a granular powder via a high-power laser according to a digitally defined geometry. Initial work suggests that assuming a loss model and numerically optimizing a geometry to minimize dissipation results in modest improvements in device performance. Furthermore, a subset of titanium alloys, particularly, a titanium, aluminum, vanadium alloy (Ti - 6Al - 4V) exhibits properties indicative of a high kinetic inductance material. This work is supported by LDRD 16-SI-004.

Theoretical and Experimental Investigation on the Low Temperature Properties of the NbCr{sub 2} Laves Phase

Energy Technology Data Exchange (ETDEWEB)

Thoma, D.J.; Chu, F.; Chen, K.C.; Kotula, P.G.; Mitchell, T.E.; Wills, J.M.; Ormeci, A.; Chen, S.P.; Albers, R.C.

1999-06-03

This is the final report of a three-year, Laboratory Directed Research and Development (LDRD) project at Los Alamos National Laboratory (LANL). The goal of the project was to develop methodologies in which to define and improve the properties of NbCr{sub 2} so that the high temperature structural applications of alloys based upon this would not be limited by the low-temperature brittle behavior of the intermetallic. We accomplished this task by (1) understanding the defect structure and deformation mechanisms in Laves phases, (2) electronic and geometric contributions to phase stability and alloying behavior, and (3) novel processing of dual phase (Laves/bcc) structures. As a result alloys with properties that in many cases surpass superalloys were developed. For example, we have tailored alloy design strategies and processing routes in a metal alloy to achieve ambient temperature ultimate strengths of 2.35 GPa as well as ultimate strengths of 1.5 GPa at 1000 C. This results i n one of the strongest metal alloys that currently exist, while still having deformability at room temperature.

Quantitative Imaging of Turbulent Mixing Dynamics in High-Pressure Fuel Injection to Enable Predictive Simulations of Engine Combustion

Energy Technology Data Exchange (ETDEWEB)

Frank, Jonathan H. [Sandia National Lab. (SNL-CA), Livermore, CA (United States). Reacting Flows Dept.; Pickett, Lyle M. [Sandia National Lab. (SNL-CA), Livermore, CA (United States). Engine Combustion Dept.; Bisson, Scott E. [Sandia National Lab. (SNL-CA), Livermore, CA (United States). Remote Sensing and Energetic Materials Dept.; Patterson, Brian D. [Sandia National Lab. (SNL-CA), Livermore, CA (United States). combustion Chemistry Dept.; Ruggles, Adam J. [Sandia National Lab. (SNL-CA), Livermore, CA (United States). Reacting Flows Dept.; Skeen, Scott A. [Sandia National Lab. (SNL-CA), Livermore, CA (United States). Engine Combustion Dept.; Manin, Julien Luc [Sandia National Lab. (SNL-CA), Livermore, CA (United States). Engine Combustion Dept.; Huang, Erxiong [Sandia National Lab. (SNL-CA), Livermore, CA (United States). Reacting Flows Dept.; Cicone, Dave J. [Sandia National Lab. (SNL-CA), Livermore, CA (United States). Engine Combustion Dept.; Sphicas, Panos [Sandia National Lab. (SNL-CA), Livermore, CA (United States). Engine Combustion Dept.

2015-09-01

In this LDRD project, we developed a capability for quantitative high - speed imaging measurements of high - pressure fuel injection dynamics to advance understanding of turbulent mixing in transcritical flows, ignition, and flame stabilization mechanisms, and to provide e ssential validation data for developing predictive tools for engine combustion simulations. Advanced, fuel - efficient engine technologies rely on fuel injection into a high - pressure, high - temperature environment for mixture preparation and com bustion. Howe ver, the dynamics of fuel injection are not well understood and pose significant experimental and modeling challenges. To address the need for quantitative high - speed measurements, we developed a Nd:YAG laser that provides a 5ms burst of pulses at 100 kHz o n a robust mobile platform . Using this laser, we demonstrated s patially and temporally resolved Rayleigh scattering imaging and particle image velocimetry measurements of turbulent mixing in high - pressure gas - phase flows and vaporizing sprays . Quantitativ e interpretation of high - pressure measurements was advanced by reducing and correcting interferences and imaging artifacts.

Mechanisms of mechanical strain memory in airway smooth muscle.

Science.gov (United States)

Kim, Hak Rim; Hai, Chi-Ming

2005-10-01

We evaluated the hypothesis that mechanical deformation of airway smooth muscle induces structural remodeling of airway smooth muscle cells, thereby modulating mechanical performance in subsequent contractions. This hypothesis implied that past experience of mechanical deformation was retained (or "memorized") as structural changes in airway smooth muscle cells, which modulated the cell's subsequent contractile responses. We termed this phenomenon mechanical strain memory. Preshortening has been found to induce attenuation of both force and isotonic shortening velocity in cholinergic receptor-activated airway smooth muscle. Rapid stretching of cholinergic receptor-activated airway smooth muscle from an initial length to a final length resulted in post-stretch force and myosin light chain phosphorylation that correlated significantly with initial length. Thus post-stretch muscle strips appeared to retain memory of the initial length prior to rapid stretch (mechanical strain memory). Cytoskeletal recruitment of actin- and integrin-binding proteins and Erk 1/2 MAPK appeared to be important mechanisms of mechanical strain memory. Sinusoidal length oscillation led to force attenuation during oscillation and in subsequent contractions in intact airway smooth muscle, and p38 MAPK appeared to be an important mechanism. In contrast, application of local mechanical strain to cultured airway smooth muscle cells induced local actin polymerization and cytoskeletal stiffening. It is conceivable that deep inspiration-induced bronchoprotection may be a manifestation of mechanical strain memory such that mechanical deformation from past breathing cycles modulated the mechanical performance of airway smooth muscle in subsequent cycles in a continuous and dynamic manner.

507 mechanical movements mechanisms and devices

CERN Document Server

Brown, Henry T

2005-01-01

Epicyclic trains, oblique rollers, trip hammers, and lazy-tongs are among the ingenious mechanisms defined and illustrated in this intriguing collection. Spanning the first century of the Industrial Revolution, this 1868 compilation features simplified, concise illustrations of the mechanisms used in hydraulics, steam engines, pneumatics, presses, horologes, and scores of other machines.The movements of each of the 507 mechanisms are depicted in drawings on the left-hand page, and the facing page presents a brief description of the item's use and operation. Ranging from simple to intricately c

Quantum Mechanics/Molecular Mechanics Modeling of Drug Metabolism

DEFF Research Database (Denmark)

Lonsdale, Richard; Fort, Rachel M; Rydberg, Patrik

2016-01-01

)-mexiletine in CYP1A2 with hybrid quantum mechanics/molecular mechanics (QM/MM) methods, providing a more detailed and realistic model. Multiple reaction barriers have been calculated at the QM(B3LYP-D)/MM(CHARMM27) level for the direct N-oxidation and H-abstraction/rebound mechanisms. Our calculated barriers......The mechanism of cytochrome P450(CYP)-catalyzed hydroxylation of primary amines is currently unclear and is relevant to drug metabolism; previous small model calculations have suggested two possible mechanisms: direct N-oxidation and H-abstraction/rebound. We have modeled the N-hydroxylation of (R...... indicate that the direct N-oxidation mechanism is preferred and proceeds via the doublet spin state of Compound I. Molecular dynamics simulations indicate that the presence of an ordered water molecule in the active site assists in the binding of mexiletine in the active site...

Mechanics and Physics of Precise Vacuum Mechanisms

CERN Document Server

Deulin, E. A; Panfilov, Yu V; Nevshupa, R. A

2010-01-01

In this book the Russian expertise in the field of the design of precise vacuum mechanics is summarized. A wide range of physical applications of mechanism design in electronic, optical-electronic, chemical, and aerospace industries is presented in a comprehensible way. Topics treated include the method of microparticles flow regulation and its determination in vacuum equipment and mechanisms of electronics; precise mechanisms of nanoscale precision based on magnetic and electric rheology; precise harmonic rotary and not-coaxial nut-screw linear motion vacuum feedthroughs with technical parameters considered the best in the world; elastically deformed vacuum motion feedthroughs without friction couples usage; the computer system of vacuum mechanisms failure predicting. This English edition incorporates a number of features which should improve its usefulness as a textbook without changing the basic organization or the general philosophy of presentation of the subject matter of the original Russian work. Exper...

Mechanics of Failure Mechanisms in Structures

CERN Document Server

Carlson, R L; Craig, J I

2012-01-01

This book focuses on the mechanisms and underlying mechanics of failure in various classes of materials such as metallic, ceramic, polymeric, composite and bio-material.  Topics include tensile and compressive fracture, crack initiation and growth, fatigue and creep rupture in metallic materials, matrix cracking and delamination and environmental degradation in polymeric composites, failure of bio-materials such as prosthetic heart valves and prosthetic hip joints, failure of ceramics and ceramic matrix composites, failure of metallic matrix composites, static and dynamic buckling failure, dynamic excitations and creep buckling failure in structural systems. Chapters are devoted to failure mechanisms that are characteristic of each of the materials.  The work also provides the basic elements of fracture mechanics and studies in detail several niche topics such as the effects of toughness gradients, variable amplitude loading effects in fatigue, small fatigue cracks, and creep induced brittleness. Furthe...

Discrete mechanics

CERN Document Server

Caltagirone, Jean-Paul

2014-01-01

This book presents the fundamental principles of mechanics to re-establish the equations of Discrete Mechanics. It introduces physics and thermodynamics associated to the physical modeling.  The development and the complementarity of sciences lead to review today the old concepts that were the basis for the development of continuum mechanics. The differential geometry is used to review the conservation laws of mechanics. For instance, this formalism requires a different location of vector and scalar quantities in space. The equations of Discrete Mechanics form a system of equations where the H

Discrete mechanics

International Nuclear Information System (INIS)

Lee, T.D.

1985-01-01

This paper reviews the role of time throughout all phases of mechanics: classical mechanics, non-relativistic quantum mechanics, and relativistic quantum theory. As an example of the relativistic quantum field theory, the case of a massless scalar field interacting with an arbitrary external current is discussed. The comparison between the new discrete theory and the usual continuum formalism is presented. An example is given of a two-dimensional random lattice and its duel. The author notes that there is no evidence that the discrete mechanics is more appropriate than the usual continuum mechanics

Mechanics of machinery

CERN Document Server

Mostafa, Mahmoud A

2012-01-01

MechanismsDefinitions Degrees of Freedom of Planar Mechanisms Four-Revolute-Pairs Chains Single-Slider Chain Double-Slider Mechanisms Mechanisms with Higher Pairs Compound Mechanisms Special Mechanisms Analytical Position Analysis of Mechanisms Velocities and AccelerationsAbsolute Plane Motion of a Particle Relative Motion Applications to Common Links Analysis of Mechanisms: Graphical Method Method of Instantaneous Centers for Determining the VelocitiesAnalytical Analysis CamsIntroduction Types of Cams Modes of Input/Output Motion Follower Configurations Classes of Cams Spur GearsIntroduction

Teaching Continuum Mechanics in a Mechanical Engineering Program

Science.gov (United States)

Liu, Yucheng

2011-01-01

This paper introduces a graduate course, continuum mechanics, which is designed for and taught to graduate students in a Mechanical Engineering (ME) program. The significance of continuum mechanics in engineering education is demonstrated and the course structure is described. Methods used in teaching this course such as topics, class…

Mechanical design

CERN Document Server

Risitano, Antonino

2011-01-01

METHODOLOGICAL STATEMENT OF ENGINEERING DESIGNApproaches to product design and developmentMechanical design and environmental requirementsPROPERTIES OF ENGINEERING MATERIALSMaterials for mechanical designCharacterization of metalsStress conditionsFatigue of materialsOptimum material selection in mechanical designDESIGN OF MECHANICAL COMPONENTS AND SYSTEMSFailure theoriesHertz theoryLubrificationShafts and bearingsSplines and keysSpringsFlexible machine elementsSpur gearsPress and shrink fitsPressure tubesCouplingsClutchesBrakes

Argonne National Laboratory Annual Report of Laboratory Directed Research and Development Program Activities for FY 1994

Energy Technology Data Exchange (ETDEWEB)

None

1995-02-25

The purposes of Argonne's Laboratory Directed Research and Development (LDRD) Program are to encourage the development of novel concepts, enhance the Laboratory's R and D capabilities, and further the development of its strategic initiatives. Projects are selected from proposals for creative and innovative R and D studies which are not yet eligible for timely support through normal programmatic channels. Among the aims of the projects supported by the Program are establishment of engineering proof-of-principle; assessment of design feasibility for prospective facilities; development of an instrumental prototype, method, or system; or discovery in fundamental science. Several of these projects are closely associated with major strategic thrusts of the Laboratory as described in Argonne's Five-Year Institutional Plan, although the scientific implications of the achieved results extend well beyond Laboratory plans and objectives. The projects supported by the Program are distributed across the major programmatic areas at Argonne as indicated in the Laboratory's LDRD Plan for FY 1994. Project summaries of research in the following areas are included: (1) Advanced Accelerator and Detector Technology; (2) X-ray Techniques for Research in Biological and Physical Science; (3) Nuclear Technology; (4) Materials Science and Technology; (5) Computational Science and Technology; (6) Biological Sciences; (7) Environmental Sciences: (8) Environmental Control and Waste Management Technology; and (9) Novel Concepts in Other Areas.

Material removal mechanisms in electrochemical-mechanical polishing of tantalum

International Nuclear Information System (INIS)

Gao, F.; Liang, H.

2009-01-01

Material removal mechanisms in tantalum chemical-mechanical polishing (CMP) and electrochemical-mechanical polishing (ECMP) were investigated using the single frequency electrochemical impedance spectroscopy (EIS). Through measuring the impedance of the tantalum surface, the single frequency EIS scan made it possible to observe the CMP and ECMP processes in situ. The impedance results presented competing mechanisms of removal and formation of a surface oxide layer of tantalum. Analysis indicated that the thickness of the oxide layer formed during polishing was related to the mechanical power correlated to the friction force and the rotating speed. Furthermore, the rate of growth and removal of the oxide film was a function of the mechanical power. This understanding is beneficial for optimization of CMP and ECMP processes.

The Antikythera mechanism and the mechanical universe

Science.gov (United States)

Edmunds, M. G.

2014-10-01

How did our view of the Universe develop? By the mid-eighteenth century, a world view had developed of a system constrained by physical laws. These laws, if not entirely understood, showed regularity and could be handled mathematically to provide both explanation and prediction of celestial phenomena. Most of us have at least some hazy idea of the fundamental shift that came through the work of Copernicus, Kepler, Galileo and Newton. The idea of a 'Mechanical Universe' running rather like a clock tends to be associated with these sixteenth- and seventeenth-century pioneers. It remains a useful - and perhaps comforting - analogy. Yet, recent investigations based around the Antikythera Mechanism, an artefact from ancient Greece, reinforce a view that the 'Mechanical' conception has been around for a much longer time - indeed certainly as far back as the third century BC. The extent of mechanical design expertise existing around 100 BC as witnessed by the Antikythera Mechanism comes as a great surprise to most people. It is certainly a very ingenious device, often referred to as 'The World's First Computer' although it is really a sophisticated mechanical astronomical calculator with its functions pre-determined rather than programmable. In this review, the structure and functions of the Antikythera Mechanism are described. The astronomy, cosmology and technology inherent in the machine fit surprisingly well into the context of its contemporary Classical world. A strong claim will be made for the influence of such mechanisms on the development of astronomical and philosophical views, based on literary reference. There is evidence that the technology persisted until its spectacular and rather sudden re-appearance in Western Europe around 1300 AD. From then on it is not hard to chart a path through the astronomical clocks of the sixteenth century to Kepler's aim (expressed in a 1605 letter) to 'show that the heavenly machine is not a kind of divine, live being, but a

Electron Production and Collective Field Generation in Intense Particle Beams

International Nuclear Information System (INIS)

Molvik, A W; Vay, J; Cohen, R; Friedman, A; Lee, E; Verboncoeur, J; Covo, M K

2006-01-01

Electron cloud effects (ECEs) are increasingly recognized as important, but incompletely understood, dynamical phenomena, which can severely limit the performance of present electron colliders, the next generation of high-intensity rings, such as PEP-II upgrade, LHC, and the SNS, the SIS 100/200, or future high-intensity heavy ion accelerators such as envisioned in Heavy Ion Inertial Fusion (HIF). Deleterious effects include ion-electron instabilities, emittance growth, particle loss, increase in vacuum pressure, added heat load at the vacuum chamber walls, and interference with certain beam diagnostics. Extrapolation of present experience to significantly higher beam intensities is uncertain given the present level of understanding. With coordinated LDRD projects at LLNL and LBNL, we undertook a comprehensive R and D program including experiments, theory and simulations to better understand the phenomena, establish the essential parameters, and develop mitigating mechanisms. This LDRD project laid the essential groundwork for such a program. We developed insights into the essential processes, modeled the relevant physics, and implemented these models in computational production tools that can be used for self-consistent study of the effect on ion beams. We validated the models and tools through comparison with experimental data, including data from new diagnostics that we developed as part of this work and validated on the High-Current Experiment (HCX) at LBNL. We applied these models to High-Energy Physics (HEP) and other advanced accelerators. This project was highly successful, as evidenced by the two paragraphs above, and six paragraphs following that are taken from our 2003 proposal with minor editing that mostly consisted of changing the tense. Further benchmarks of outstanding performance are: we had 13 publications with 8 of them in refereed journals, our work was recognized by the accelerator and plasma physics communities by 8 invited papers and we have

Mechanical engineers' handbook, materials and engineering mechanics

CERN Document Server

Kutz, Myer

2015-01-01

Full coverage of materials and mechanical design inengineering Mechanical Engineers' Handbook, Fourth Edition provides aquick guide to specialized areas you may encounter in your work,giving you access to the basics of each and pointing you towardtrusted resources for further reading, if needed. The accessibleinformation inside offers discussions, examples, and analyses ofthe topics covered. This first volume covers materials and mechanical design, givingyou accessible and in-depth access to the most common topics you'llencounter in the discipline: carbon and alloy steels, stainlesssteels, a

LLNL medical and industrial laser isotope separation: large volume, low cost production through advanced laser technologies

International Nuclear Information System (INIS)

Comaskey, B.; Scheibner, K. F.; Shaw, M.; Wilder, J.

1998-01-01

The goal of this LDRD project was to demonstrate the technical and economical feasibility of applying laser isotope separation technology to the commercial enrichment (>lkg/y) of stable isotopes. A successful demonstration would well position the laboratory to make a credible case for the creation of an ongoing medical and industrial isotope production and development program at LLNL. Such a program would establish LLNL as a center for advanced medical isotope production, successfully leveraging previous LLNL Research and Development hardware, facilities, and knowledge

NLC Mechanical

Science.gov (United States)

text only Mechanical Systems.gif (14697 bytes) NLC Home Page NLC Technical SLAC Permanent Magnets Organization Overview The Mechanical Systems Group Organization is shown on the NLC Project Group Organization Chart (Next Linear Collider Technical Web Page). The Mechanical Systems Group operates on a matrixed

Tokamak engineering mechanics

International Nuclear Information System (INIS)

Song, Yuntao; Wu, Weiyue; Du, Shijun

2014-01-01

Provides a systematic introduction to tokamaks in engineering mechanics. Includes design guides based on full mechanical analysis, which makes it possible to accurately predict load capacity and temperature increases. Presents comprehensive information on important design factors involving materials. Covers the latest advances in and up-to-date references on tokamak devices. Numerous examples reinforce the understanding of concepts and provide procedures for design. Tokamak Engineering Mechanics offers concise and thorough coverage of engineering mechanics theory and application for tokamaks, and the material is reinforced by numerous examples. Chapter topics include general principles, static mechanics, dynamic mechanics, thermal fluid mechanics and multiphysics structural mechanics of tokamak structure analysis. The theoretical principle of the design and the methods of the analysis for various components and load conditions are presented, while the latest engineering technologies are also introduced. The book will provide readers involved in the study of mechanical/fusion engineering with a general understanding of tokamak engineering mechanics.

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

Analogies between classical statistical mechanics and quantum mechanics

International Nuclear Information System (INIS)

Uehara, M.

1986-01-01

Some analogies between nonequilibrium classical statistical mechanics and quantum mechanics, at the level of the Liouville equation and at the kinetic level, are commented on. A theorem, related to the Vlasov equation applied to a plasma, is proved. The theorem presents an analogy with Ehrenfest's theorem of quantum mechanics. An analogy between the plasma kinetic theory and Bohm's quantum theory with 'hidden variables' is also shown. (Author) [pt

Continuum Mechanics

CERN Document Server

Romano, Antonio

2010-01-01

This book offers a broad overview of the potential of continuum mechanics to describe a wide range of macroscopic phenomena in real-world problems. Building on the fundamentals presented in the authors' previous book, Continuum Mechanics using Mathematica(R), this new work explores interesting models of continuum mechanics, with an emphasis on exploring the flexibility of their applications in a wide variety of fields.Specific topics, which have been chosen to show the power of continuum mechanics to characterize the experimental behavior of real phenomena, include: * various aspects of nonlin

Mechanical engineer's handbook

CERN Document Server

Marghitu, Dan B

2001-01-01

The Mechanical Engineer's Handbook was developed and written specifically to fill a need for mechanical engineers and mechanical engineering students throughout the world. With over 1000 pages, 550 illustrations, and 26 tables the Mechanical Engineer's Handbook is very comprehensive, yet affordable, compact, and durable. The Handbook covers all major areas of mechanical engineering with succinct coverage of the definitions, formulas, examples, theory, proofs, and explanations of all principle subject areas. The Handbook is an essential, practical companion for all mechanic

Tokamak engineering mechanics

CERN Document Server

Song, Yuntao; Du, Shijun

2013-01-01

Tokamak Engineering Mechanics offers concise and thorough coverage of engineering mechanics theory and application for tokamaks, and the material is reinforced by numerous examples. Chapter topics include general principles, static mechanics, dynamic mechanics, thermal fluid mechanics and multiphysics structural mechanics of tokamak structure analysis. The theoretical principle of the design and the methods of the analysis for various components and load conditions are presented, while the latest engineering technologies are also introduced. The book will provide readers involved in the study

Foundations of mechanics

International Nuclear Information System (INIS)

Zorski, Henryk; Bazanski, Stanislaw; Gutowski, Roman; Slawianowski, Jan; Wilmanski, Krysztof; Wozniak, Czeslaw

1992-01-01

In the last 3 decades the field of mechanics has seen spectacular progress due to the demand for applications in problems of cosmology, thermonuclear fusion, metallurgy, etc. This book provides a broad and thorough overview on the foundations of mechanics. It discusses theoretical mechanics and continuum mechanics, as well as phenomenological thermodynamics, quantum mechanics and relativistic mechanics. Each chapter presents the basic physical facts of interest without going into details and derivations and without using advanced mathematical formalism. The first part constitutes a classical exposition of Lagrange's and Hamiltonian's analytical mechanics on which most of the continuum theory is based. The section on continuum mechanics focuses mainly on the axiomatic foundations, with many pointers for further research in this area. Special attention is given to modern continuum thermodynamics, both for the foundations and applications. A section on quantum mechanics is also included, since the phenomenological description of various quantum phenomena is becoming of increasing importance. refs.; figs.; tabs

Improving electronic structure methods to predict nano-optoelectronics and nano-catalyst functions.

Energy Technology Data Exchange (ETDEWEB)

Nielsen, Ida Marie B.; Marzari, Nicola (Massachusetts Institute of Technology); Shelnutt, John Allen; Kulik, Heather J. (Massachusetts Institute of Technology); Medforth, Craig John (University of New Mexico, Albuquerque, NM); Leung, Kevin

2009-10-01

This report focuses on quantum chemistry and ab initio molecular dynamics (AIMD) calculations applied to elucidate the mechanism of the multi-step, 2-electron, electrochemical reduction of the green house gas molecule carbon dioxide (CO{sub 2}) to carbon monoxide (CO) in aqueous media. When combined with H{sub 2} gas to form synthesis ('syn') gas, CO becomes a key precursor to methane, methanol, and other useful hydrocarbon products. To elucidate the mechanism of this reaction, we apply computational electrochemistry which is a fledgling, important area of basic science critical to energy storage. This report highlights several approaches, including the calculation of redox potentials, the explicit depiction of liquid water environments using AIMD, and free energy methods. While costly, these pioneering calculations reveal the key role of hydration- and protonation-stabilization of reaction intermediates, and may inform the design of CO{sub 2}-capture materials as well as its electrochemical reduction. In the course of this work, we have also dealt with the challenges of identifying and applying electronic structure methods which are sufficiently accurate to deal with transition metal ion complex-based catalyst. Such electronic structure methods are also pertinent to the accurate modeling of actinide materials and therefore to nuclear energy research. Our multi-pronged effort towards achieving this titular goal of the LDRD is discussed.

Martensite and bainite in steels: transformation mechanism and mechanical properties

International Nuclear Information System (INIS)

Bhadeshia, H.K.D.H.

1997-01-01

Many essential properties of iron alloys depend on what actually happens when one allotropic form gives way to another, i.e. on the mechanism of phase change. The dependence of the mechanical properties on the atomic mechanism by which bainite and martensite grow is the focus of this paper. The discussion is illustrated in the context of some common engineering design parameters, and with a brief example of the inverse problem in which the mechanism may be a function of the mechanical properties. (orig.)

Leaching mechanisms

International Nuclear Information System (INIS)

Dougherty, D.R.; Colombo, P.

1984-01-01

Sufficient data are lacking to provide a basis for adequately assessing the long term leaching behavior of solidified low level radioactive waste forms in their disposal environment. Although the release of radioactivity from a waste form to an aqueous environment is recognized to be due to one or more mechanisms such as diffusion, dissolution, corrosion or ion exchange, the leaching mechanisms and the factors which control the leaching behavior of waste forms are not fully understood. This study will determine the prevailing mechanisms for a variety of selected LLW solidification agents which are being considered for use by defense and commercial generators and which will cover the broadest possible number of mechanisms. The investigation will proceed by the postulation of mathematical models representative of the prevailing mechanism(s) and the use of statistically designed experiments to test the actual leaching behavior of laborattory samples against the postulated representations. Maximum use of existing leach data in the literature will be made by incorporating literature results into a computerized data base along with the experimental results generated in this task

Mechanical Kinesiology.

Science.gov (United States)

Barham, Jerry N.

Mechanical kinesiology is defined as a study of the mechanical factors affecting human movement, i.e., applying the physical laws of mechanics to the study of human motor behavior. This textbook on the subject is divided into thirty lessons. Each lesson is organized into three parts: a part on the text proper; a part entitled "study…

Genomic interrogation of mechanism(s) underlying cellular responses to toxicants

International Nuclear Information System (INIS)

Amin, Rupesh P.; Hamadeh, Hisham K.; Bushel, Pierre R.; Bennett, Lee; Afshari, Cynthia A.; Paules, Richard S.

2002-01-01

Assessment of the impact of xenobiotic exposure on human health and disease progression is complex. Knowledge of mode(s) of action, including mechanism(s) contributing to toxicity and disease progression, is valuable for evaluating compounds. Toxicogenomics, the subdiscipline which merges genomics with toxicology, holds the promise to contributing significantly toward the goal of elucidating mechanism(s) by studying genome-wide effects of xenobiotics. Global gene expression profiling, revolutionized by microarray technology and a crucial aspect of a toxicogenomic study, allows measuring transcriptional modulation of thousands of genes following exposure to a xenobiotic. We use our results from previous studies on compounds representing two different classes of xenobiotics (barbiturate and peroxisome proliferator) to discuss the application of computational approaches for analyzing microarray data to elucidate mechanism(s) underlying cellular responses to toxicants. In particular, our laboratory demonstrated that chemical-specific patterns of gene expression can be revealed using cDNA microarrays. Transcript profiling provides discrimination between classes of toxicants, as well as, genome-wide insight into mechanism(s) of toxicity and disease progression. Ultimately, the expectation is that novel approaches for predicting xenobiotic toxicity in humans will emerge from such information

A review of research in the field of nanorobotics.

Energy Technology Data Exchange (ETDEWEB)

Sierra, Dannelle P.; Weir, Nathan A.; Jones, James Frank

2005-10-01

This report highlights the findings of an extensive review of the literature in the area of nanorobotics. The main goal of this midyear LDRD effort is to survey and identify accomplishments and advancements that have been made in this relatively new and emerging field. As a result, it may be determined what routes in the area of nanorobotics are scientifically plausible and technically useful so that the Intelligent Systems and Robotics Center can position itself to play a role in the future development of nanotechnology.

L3 physics at the Z resonance and a search for the Higgs particle

International Nuclear Information System (INIS)

Coan, T.A.; Kinnison, W.W.; Kapustinsky, J.; Shukla, J.

1997-01-01

This is the final report of a three-year, Laboratory-Directed Research and Development (LDRD) project at the Los Alamos National Laboratory. Electroweak interactions were studied using the L3 Detector on the Large Electron-Positron Collider (LEP) at the European Center for Nuclear Study (CERN). The specific physics studied utilized the Silicon Microvertex Detector (SMD) of L3, which Los Alamos had previously played a major role in proposing, designing, constructing, and commissioning. This detector enabled L3 to investigate short-lived mesons containing b-quarks

Sandia QIS Capabilities.

Energy Technology Data Exchange (ETDEWEB)

Muller, Richard P. [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)

2017-07-01

Sandia National Laboratories has developed a broad set of capabilities in quantum information science (QIS), including elements of quantum computing, quantum communications, and quantum sensing. The Sandia QIS program is built atop unique DOE investments at the laboratories, including the MESA microelectronics fabrication facility, the Center for Integrated Nanotechnologies (CINT) facilities (joint with LANL), the Ion Beam Laboratory, and ASC High Performance Computing (HPC) facilities. Sandia has invested $75 M of LDRD funding over 12 years to develop unique, differentiating capabilities that leverage these DOE infrastructure investments.

1997 Laboratory directed research and development. Annual report

Energy Technology Data Exchange (ETDEWEB)

Meyers, C.E.; Harvey, C.L.; Chavez, D.L.; Whiddon, C.P. [comps.

1997-12-31

This report summarizes progress from the Laboratory Directed Research and Development (LDRD) program during fiscal year 1997. In addition to a programmatic and financial overview, the report includes progress reports from 218 individual R&D projects in eleven categories. Theses reports are grouped into the following areas: materials science and technology; computer sciences; electronics and photonics; phenomenological modeling and engineering simulation; manufacturing science and technology; life-cycle systems engineering; information systems; precision sensing and analysis; environmental sciences; risk and reliability; national grand challenges; focused technologies; and reserve.

College mechanics

CERN Document Server

Şengül, Caner

2016-01-01

College Mechanics QueBank has been designed to be different, enthusiastic, interesting and helpful to you. Therefore, it is not just a test bank about mechanics but also it is like a compass in order to find your way in mechanics Each chapter in this book is put in an order to follow a hierarchy of the mechanics topics; from vectors to simple harmonic motion. Throughout the book there are many multiple choice and long answer questions for you to solve. They have been created for YGS, LYS, SAT, IB or other standardized exams in the world because mechanics has no boundaries and so Physics has no country. Learn the main principle of each chapter and explore the daily life applications. Then you can start to solve the questions by planning a problem solving method carefully. Finally, enjoy solving the questions and discover the meachanics of the universe once more.

Understanding the mechanisms of lung mechanical stress

Directory of Open Access Journals (Sweden)

C.S.N.B. Garcia

2006-06-01

Full Text Available Physical forces affect both the function and phenotype of cells in the lung. Bronchial, alveolar, and other parenchymal cells, as well as fibroblasts and macrophages, are normally subjected to a variety of passive and active mechanical forces associated with lung inflation and vascular perfusion as a result of the dynamic nature of lung function. These forces include changes in stress (force per unit area or strain (any forced change in length in relation to the initial length and shear stress (the stress component parallel to a given surface. The responses of cells to mechanical forces are the result of the cell's ability to sense and transduce these stimuli into intracellular signaling pathways able to communicate the information to its interior. This review will focus on the modulation of intracellular pathways by lung mechanical forces and the intercellular signaling. A better understanding of the mechanisms by which lung cells transduce physical forces into biochemical and biological signals is of key importance for identifying targets for the treatment and prevention of physical force-related disorders.

Respiratory mechanics

CERN Document Server

Wilson, Theodore A

2016-01-01

This book thoroughly covers each subfield of respiratory mechanics: pulmonary mechanics, the respiratory pump, and flow. It presents the current understanding of the field and serves as a guide to the scientific literature from the golden age of respiratory mechanics, 1960 - 2010. Specific topics covered include the contributions of surface tension and tissue forces to lung recoil, the gravitational deformation of the lung, and the interdependence forces that act on pulmonary airways and blood vessels. The geometry and kinematics of the ribs is also covered in detail, as well as the respiratory action of the external and internal intercostal muscles, the mechanics of the diaphragm, and the quantitative compartmental models of the chest wall is also described. Additionally, flow in the airways is covered thoroughly, including the wave-speed and viscous expiratory flow-limiting mechanisms; convection, diffusion and the stationary front; and the distribution of ventilation. This is an ideal book for respiratory ...

Quantum mechanics

CERN Document Server

Rae, Alastair I M

2016-01-01

A Thorough Update of One of the Most Highly Regarded Textbooks on Quantum Mechanics Continuing to offer an exceptionally clear, up-to-date treatment of the subject, Quantum Mechanics, Sixth Edition explains the concepts of quantum mechanics for undergraduate students in physics and related disciplines and provides the foundation necessary for other specialized courses. This sixth edition builds on its highly praised predecessors to make the text even more accessible to a wider audience. It is now divided into five parts that separately cover broad topics suitable for any general course on quantum mechanics. New to the Sixth Edition * Three chapters that review prerequisite physics and mathematics, laying out the notation, formalism, and physical basis necessary for the rest of the book * Short descriptions of numerous applications relevant to the physics discussed, giving students a brief look at what quantum mechanics has made possible industrially and scientifically * Additional end-of-chapter problems with...

Fracture Mechanics

CERN Document Server

Zehnder, Alan T

2012-01-01

Fracture mechanics is a vast and growing field. This book develops the basic elements needed for both fracture research and engineering practice. The emphasis is on continuum mechanics models for energy flows and crack-tip stress- and deformation fields in elastic and elastic-plastic materials. In addition to a brief discussion of computational fracture methods, the text includes practical sections on fracture criteria, fracture toughness testing, and methods for measuring stress intensity factors and energy release rates. Class-tested at Cornell, this book is designed for students, researchers and practitioners interested in understanding and contributing to a diverse and vital field of knowledge. Alan Zehnder joined the faculty at Cornell University in 1988. Since then he has served in a number of leadership roles including Chair of the Department of Theoretical and Applied Mechanics, and Director of the Sibley School of Mechanical and Aerospace Engineering.  He teaches applied mechanics and his research t...

Mechanical seal assembly

Science.gov (United States)

Kotlyar, Oleg M.

2001-01-01

An improved mechanical seal assembly is provided for sealing rotating shafts with respect to their shaft housings, wherein the rotating shafts are subject to substantial axial vibrations. The mechanical seal assembly generally includes a rotating sealing ring fixed to the shaft, a non-rotating sealing ring adjacent to and in close contact with the rotating sealing ring for forming an annular seal about the shaft, and a mechanical diode element that applies a biasing force to the non-rotating sealing ring by means of hemispherical joint. The alignment of the mechanical diode with respect to the sealing rings is maintained by a series of linear bearings positioned axially along a desired length of the mechanical diode. Alternative embodiments include mechanical or hydraulic amplification components for amplifying axial displacement of the non-rotating sealing ring and transferring it to the mechanical diode.

Mechanical Seal Assembly

Energy Technology Data Exchange (ETDEWEB)

Kotlyar, Oleg M.

1999-06-18

An improved mechanical seal assembly is provided for sealing rotating shafts with respect to their shaft housings, wherein the rotating shafts are subject to substantial axial vibrations. The mechanical seal assembly generally includes a rotating sealing ring fixed to the shaft, a non-rotating sealing ring adjacent to and in close contact with the rotating sealing ring for forming an annular seal about the shaft, and a mechanical diode element that applies a biasing force to the non-rotating sealing ring by means of hemispherical joint. The alignment of the mechanical diode with respect to the sealing rings is maintained by a series of linear bearings positioned axially along a desired length of the mechanical diode. Alternative embodiments include mechanical or hydraulic amplification components for amplifying axial displacement of the non-rotating sealing ring and transferring it to the mechanical diode.

Mechanical drawing

Energy Technology Data Exchange (ETDEWEB)

Cho, Ho Seon; Lee, Geun Hui

2004-04-15

This book deals with how to read and draw the mechanical drawing, which includes the basic of drawing like purpose, kinds, and criterion, projection, special projection drawing, omission of the figure, section, and types of section, dimensioning method, writing way of allowable limit size, tolerance of regular size, parts list and assembling drawing, fitting, mechanical elements like screw, key, pin, rivet, spring, bearing, pipe, valve, welding, geometric tolerance and mechanical materials.

Classical mechanics

CERN Document Server

Benacquista, Matthew J

2018-01-01

This textbook provides an introduction to classical mechanics at a level intermediate between the typical undergraduate and advanced graduate level. This text describes the background and tools for use in the fields of modern physics, such as quantum mechanics, astrophysics, particle physics, and relativity. Students who have had basic undergraduate classical mechanics or who have a good understanding of the mathematical methods of physics will benefit from this book.

Supersymmetric mechanics

International Nuclear Information System (INIS)

Stelle, Kellogg S

2007-01-01

With the development of the electronic archives in high-energy physics, there has been increasing questioning of the role of traditional publishing styles, particularly in the production of conference books. One aspect of traditional publishing that still receives wide appreciation, however, is in the production of well-focussed pedagogical material. The present two-volume edition, 'Supersymmetric Mechanics-Vol 1', edited by S Bellucci and 'Supersymmetric Mechanics-Vol 2', edited by S Bellucci, S Ferrara and A Marrani, is a good example of the kind of well-digested presentation that should still find its way into university libraries. This two-volume set presents the material of a set of pedagogical lectures presented at the INFN National Laboratory in Frascati over a two-year period on the subject of supersymmetric mechanics. The articles include the results of discussions with the attending students after the lectures. Overall, this makes for a useful compilation of material on a subject that underlies much of the current effort in supersymmetric approaches to cosmology and the unification programme. The first volume comprises articles on 'A journey through garden algebras' by S Bellucci, S J Gates Jr and E Orazi on linear supermultiplet realizations in supersymmetric mechanics,'Supersymmetric mechanics in superspace' by S Bellucci and S Krivonos, 'Noncommutative mechanics, Landau levels, twistors and Yang-Mills amplitudes' by V P Nair, 'Elements of (super) Hamiltonian formalism' by A Nersessian and 'Matrix mechanics' by C Sochichiu. The second volume consists entirely of a masterful presentation on 'The attractor mechanism and space time singularities' by S Ferrara. This presents a comprehensive and detailed overview of the structure of supersymmetric black hole solutions in supergravity, critical point structure in the scalar field moduli space and the thermodynamic consequences. This second volume alone makes the set a worthwhile addition to the research

Uncovering the mechanism(s) of deep brain stimulation

International Nuclear Information System (INIS)

Li Gang; Yu Chao; Lin Ling; Lu, Stephen C-Y

2005-01-01

Deep brain stimulators, often called 'pacemakers for the brain', are implantable devices which continuously deliver impulse stimulation to specific targeted nuclei of deep brain structure, namely deep brain stimulation (DBS). To date, deep brain stimulation (DBS) is the most effective clinical technique for the treatment of several medically refractory movement disorders (e.g., Parkinson's disease, essential tremor, and dystonia). In addition, new clinical applications of DBS for other neurologic and psychiatric disorders (e.g., epilepsy and obsessive-compulsive disorder) have been put forward. Although DBS has been effective in the treatment of movement disorders and is rapidly being explored for the treatment of other neurologic disorders, the scientific understanding of its mechanisms of action remains unclear and continues to be debated in the scientific community. Optimization of DBS technology for present and future therapeutic applications will depend on identification of the therapeutic mechanism(s) of action. The goal of this review is to address our present knowledge of the effects of high-frequency stimulation within the central nervous system and comment on the functional implications of this knowledge for uncovering the mechanism(s) of DBS

Extended quantum mechanics

International Nuclear Information System (INIS)

Pavel Bona

2000-01-01

The work can be considered as an essay on mathematical and conceptual structure of nonrelativistic quantum mechanics which is related here to some other (more general, but also to more special and 'approximative') theories. Quantum mechanics is here primarily reformulated in an equivalent form of a Poisson system on the phase space consisting of density matrices, where the 'observables', as well as 'symmetry generators' are represented by a specific type of real valued (densely defined) functions, namely the usual quantum expectations of corresponding selfjoint operators. It is shown in this paper that inclusion of additional ('nonlinear') symmetry generators (i. e. 'Hamiltonians') into this reformulation of (linear) quantum mechanics leads to a considerable extension of the theory: two kinds of quantum 'mixed states' should be distinguished, and operator - valued functions of density matrices should be used in the role of 'nonlinear observables'. A general framework for physical theories is obtained in this way: By different choices of the sets of 'nonlinear observables' we obtain, as special cases, e.g. classical mechanics on homogeneous spaces of kinematical symmetry groups, standard (linear) quantum mechanics, or nonlinear extensions of quantum mechanics; also various 'quasiclassical approximations' to quantum mechanics are all sub theories of the presented extension of quantum mechanics - a version of the extended quantum mechanics. A general interpretation scheme of extended quantum mechanics extending the usual statistical interpretation of quantum mechanics is also proposed. Eventually, extended quantum mechanics is shown to be (included into) a C * -algebraic (hence linear) quantum theory. Mathematical formulation of these theories is presented. The presentation includes an analysis of problems connected with differentiation on infinite-dimensional manifolds, as well as a solution of some problems connected with the work with only densely defined unbounded

LDRD final report : massive multithreading applied to national infrastructure and informatics.

Energy Technology Data Exchange (ETDEWEB)

Henderson, Bruce A.; Murphy, Richard C.; Wheeler, Kyle; Mackey, Gregory; Berry, Jonathan W.; LaViolette, Randall A.; Mancke, Brad; Barrett, Brian W.; Phillips, Cynthia Ann; Pinar, Ali; Leung, Vitus Joseph

2009-09-01

Large relational datasets such as national-scale social networks and power grids present different computational challenges than do physical simulations. Sandia's distributed-memory supercomputers are well suited for solving problems concerning the latter, but not the former. The reason is that problems such as pattern recognition and knowledge discovery on large networks are dominated by memory latency and not by computation. Furthermore, most memory requests in these applications are very small, and when the datasets are large, most requests miss the cache. The result is extremely low utilization. We are unlikely to be able to grow out of this problem with conventional architectures. As the power density of microprocessors has approached that of a nuclear reactor in the past two years, we have seen a leveling of Moores Law. Building larger and larger microprocessor-based supercomputers is not a solution for informatics and network infrastructure problems since the additional processors are utilized to only a tiny fraction of their capacity. An alternative solution is to use the paradigm of massive multithreading with a large shared memory. There is only one instance of this paradigm today: the Cray MTA-2. The proposal team has unique experience with and access to this machine. The XMT, which is now being delivered, is a Red Storm machine with up to 8192 multithreaded 'Threadstorm' processors and 128 TB of shared memory. For many years, the XMT will be the only way to address very large graph problems efficiently, and future generations of supercomputers will include multithreaded processors. Roughly 10 MTA processor can process a simple short paths problem in the time taken by the Gordon Bell Prize-nominated distributed memory code on 32,000 processors of Blue Gene/Light. We have developed algorithms and open-source software for the XMT, and have modified that software to run some of these algorithms on other multithreaded platforms such as the Sun Niagara and Opteron multi-core chips.

Final report on LDRD project : narrow-linewidth VCSELs for atomic microsystems.

Energy Technology Data Exchange (ETDEWEB)

Chow, Weng Wah; Geib, Kent Martin; Peake, Gregory Merwin; Serkland, Darwin Keith

2011-09-01

Vertical-cavity surface-emitting lasers (VCSELs) are well suited for emerging photonic microsystems due to their low power consumption, ease of integration with other optical components, and single frequency operation. However, the typical VCSEL linewidth of 100 MHz is approximately ten times wider than the natural linewidth of atoms used in atomic beam clocks and trapped atom research, which degrades or completely destroys performance in those systems. This report documents our efforts to reduce VCSEL linewidths below 10 MHz to meet the needs of advanced sub-Doppler atomic microsystems, such as cold-atom traps. We have investigated two complementary approaches to reduce VCSEL linewidth: (A) increasing the laser-cavity quality factor, and (B) decreasing the linewidth enhancement factor (alpha) of the optical gain medium. We have developed two new VCSEL devices that achieved increased cavity quality factors: (1) all-semiconductor extended-cavity VCSELs, and (2) micro-external-cavity surface-emitting lasers (MECSELs). These new VCSEL devices have demonstrated linewidths below 10 MHz, and linewidths below 1 MHz seem feasible with further optimization.

Sectoral Market Mechanisms

Energy Technology Data Exchange (ETDEWEB)

NONE

2009-07-01

This paper first reviews proposals for the design of sectoral and related market mechanisms currently debated, both in the UNFCCC negotiations, and in different domestic legislative contexts. Secondly, it addresses the possible principles and technical requirements that Parties may wish to consider as the foundations for further elaboration of the mechanisms. The third issue explored herein is domestic implementation of sectoral market mechanisms by host countries, incentives to move to new market mechanisms, as well as how the transition between current and future mechanisms could be managed.

Quantum mechanics and stochastic mechanics for compatible observables at different times

International Nuclear Information System (INIS)

Correggi, M.; Morchio, G.

2002-01-01

Bohm mechanics and Nelson stochastic mechanics are confronted with quantum mechanics in the presence of noninteracting subsystems. In both cases, it is shown that correlations at different times of compatible position observables on stationary states agree with quantum mechanics only in the case of product wave functions. By appropriate Bell-like inequalities it is shown that no classical theory, in particular no stochastic process, can reproduce the quantum mechanical correlations of position variables of noninteracting systems at different times

Bacterial Cell Mechanics.

Science.gov (United States)

Auer, George K; Weibel, Douglas B

2017-07-25

Cellular mechanical properties play an integral role in bacterial survival and adaptation. Historically, the bacterial cell wall and, in particular, the layer of polymeric material called the peptidoglycan were the elements to which cell mechanics could be primarily attributed. Disrupting the biochemical machinery that assembles the peptidoglycan (e.g., using the β-lactam family of antibiotics) alters the structure of this material, leads to mechanical defects, and results in cell lysis. Decades after the discovery of peptidoglycan-synthesizing enzymes, the mechanisms that underlie their positioning and regulation are still not entirely understood. In addition, recent evidence suggests a diverse group of other biochemical elements influence bacterial cell mechanics, may be regulated by new cellular mechanisms, and may be triggered in different environmental contexts to enable cell adaptation and survival. This review summarizes the contributions that different biomolecular components of the cell wall (e.g., lipopolysaccharides, wall and lipoteichoic acids, lipid bilayers, peptidoglycan, and proteins) make to Gram-negative and Gram-positive bacterial cell mechanics. We discuss the contribution of individual proteins and macromolecular complexes in cell mechanics and the tools that make it possible to quantitatively decipher the biochemical machinery that contributes to bacterial cell mechanics. Advances in this area may provide insight into new biology and influence the development of antibacterial chemotherapies.

Laboratory-Directed Research and Development 2016 Summary Annual Report

Energy Technology Data Exchange (ETDEWEB)

Pillai, Rekha Sukamar [Idaho National Lab. (INL), Idaho Falls, ID (United States); Jacobson, Julie Ann [Idaho National Lab. (INL), Idaho Falls, ID (United States)

2017-01-01

The Laboratory-Directed Research and Development (LDRD) Program at Idaho National Laboratory (INL) reports its status to the U.S. Department of Energy (DOE) by March of each year. The program operates under the authority of DOE Order 413.2C, “Laboratory Directed Research and Development” (April 19, 2006), which establishes DOE’s requirements for the program while providing the laboratory director broad flexibility for program implementation. LDRD funds are obtained through a charge to all INL programs. This report includes summaries of all INL LDRD research activities supported during Fiscal Year (FY) 2016. INL is the lead laboratory for the DOE Office of Nuclear Energy (DOE-NE). The INL mission is to discover, demonstrate, and secure innovative nuclear energy solutions, other clean energy options, and critical infrastructure with a vision to change the world’s energy future and secure our critical infrastructure. Operating since 1949, INL is the nation’s leading research, development, and demonstration center for nuclear energy, including nuclear nonproliferation and physical and cyber-based protection of energy systems and critical infrastructure, as well as integrated energy systems research, development, demonstration, and deployment. INL has been managed and operated by Battelle Energy Alliance, LLC (a wholly owned company of Battelle) for DOE since 2005. Battelle Energy Alliance, LLC, is a partnership between Battelle, BWX Technologies, Inc., AECOM, the Electric Power Research Institute, the National University Consortium (Massachusetts Institute of Technology, Ohio State University, North Carolina State University, University of New Mexico, and Oregon State University), and the Idaho university collaborators (i.e., University of Idaho, Idaho State University, and Boise State University). Since its creation, INL’s research and development (R&D) portfolio has broadened with targeted programs supporting national missions to advance nuclear energy

Final Report: Sublinear Algorithms for In-situ and In-transit Data Analysis at Exascale.

Energy Technology Data Exchange (ETDEWEB)

Bennett, Janine Camille [Sandia National Lab. (SNL-CA), Livermore, CA (United States); Pinar, Ali [Sandia National Lab. (SNL-CA), Livermore, CA (United States); Seshadhri, C. [Sandia National Lab. (SNL-CA), Livermore, CA (United States); Thompson, David [Sandia National Lab. (SNL-CA), Livermore, CA (United States); Salloum, Maher [Sandia National Lab. (SNL-CA), Livermore, CA (United States); Bhagatwala, Ankit [Sandia National Lab. (SNL-CA), Livermore, CA (United States); Chen, Jacqueline H. [Sandia National Lab. (SNL-CA), Livermore, CA (United States)

2015-09-01

Post-Moore's law scaling is creating a disruptive shift in simulation workflows, as saving the entirety of raw data to persistent storage becomes expensive. We are moving away from a post-process centric data analysis paradigm towards a concurrent analysis framework, in which raw simulation data is processed as it is computed. Algorithms must adapt to machines with extreme concurrency, low communication bandwidth, and high memory latency, while operating within the time constraints prescribed by the simulation. Furthermore, in- put parameters are often data dependent and cannot always be prescribed. The study of sublinear algorithms is a recent development in theoretical computer science and discrete mathematics that has significant potential to provide solutions for these challenges. The approaches of sublinear algorithms address the fundamental mathematical problem of understanding global features of a data set using limited resources. These theoretical ideas align with practical challenges of in-situ and in-transit computation where vast amounts of data must be processed under severe communication and memory constraints. This report details key advancements made in applying sublinear algorithms in-situ to identify features of interest and to enable adaptive workflows over the course of a three year LDRD. Prior to this LDRD, there was no precedent in applying sublinear techniques to large-scale, physics based simulations. This project has definitively demonstrated their efficacy at mitigating high performance computing challenges and highlighted the rich potential for follow-on re- search opportunities in this space.

Final Report Sustained Spheromak Physics Project FY 1997 - FY 1999

International Nuclear Information System (INIS)

Hooper, E.B.; Hill, D.N.

2000-01-01

This is the final report on the LDRD SI-funded Sustained Spheromak Physics Project for the years FY1997-FY1999, during which the SSPX spheromak was designed, built, and commissioned for operation at LLNL. The specific LDRD project covered in this report concerns the development, installation, and operation of specialized hardware and diagnostics for use on the SSPX facility in order to study energy confinement in a sustained spheromak plasma configuration. The USDOE Office of Fusion Energy Science funded the construction and routine operation of the SSPX facility. The main distinctive feature of the spheromak is that currents in the plasma itself produce the confining toroidal magnetic field, rather than external coils, which necessarily thread the vacuum vessel. There main objective of the Sustained Spheromak Physics Project was to test whether sufficient energy confinement could be maintained in a spheromak plasma sustained by DC helicity injection. Achieving central electron temperatures of several hundred eV would indicate this. In addition, we set out to determine how the energy confinement scales with T c and to relate the confinement time to the level of internal magnetic turbulence. Energy confinement and its scaling are the central technical issues for the spheromak as a fusion reactor concept. Pending the outcome of energy confinement studies now under way, the spheromak could be the basis for an attractive fusion reactor because of its compact size, simply-connected magnetic geometry, and potential for steady-state current drive

Damage mechanisms in PBT-GF30 under thermo-mechanical cyclic loading

International Nuclear Information System (INIS)

Schaaf, A.; De Monte, M.; Hoffmann, C.; Vormwald, M.; Quaresimin, M.

2014-01-01

The scope of this paper is the investigation of damage mechanisms at microscopic scale on a short glass fiber reinforced polybutylene terephthalate (PBT-GF30) under thermo-mechanical cyclic loading. In addition the principal mechanisms are verified through micro mechanical FE models. In order to investigate the fatigue behavior of the material both isothermal strain controlled fatigue (ISCF) tests at three different temperatures and thermo-mechanical fatigue (TMF) tests were conducted on plain and notched specimens, manufactured by injection molding. The goal of the work is to determine the damage mechanisms occurring under TMF conditions and to compare them with the mechanisms occurring under ISCF. For this reason fracture surfaces of TMF and ISCF samples loaded at different temperature levels were analyzed using scanning electron microscopy. Furthermore, specimens that failed under TMF were examined on microsections revealing insight into both crack initiation and crack propagation. The findings of this investigation give valuable information about the main damage mechanisms of PBT-GF30 under TMF loading and serve as basis for the development of a TMF life estimation methodology

Survey report on smart-tribo-mechanics; Smart tribo mechanics

Energy Technology Data Exchange (ETDEWEB)

NONE

1997-03-01

Survey results of smart-tribo-mechanics are described. For the smart-tribo-mechanics differing from the conventional tribology, an intelligent system is constructed by making full use of various science and technology ranging from basic to application, to solve problems. Self-diagnosis and self-remediation, active control, passive control, and smart-biotribo-mechanics are typical methods. Electronics, telecommunication, healthcare, and new biotechnology are new and advanced application areas. In these areas, tribology to control and act to the material surface in the atomic and molecular scale should be the key technology. In addition, the smart-tribo-mechanics is expected to be used for sustaining basic industry, such as material, transportation, and life industries. 101 refs., 67 figs., 14 tabs.

Mechanical science

CERN Document Server

Bolton, W C

2013-01-01

This book gives comprehensive coverage of mechanical science for HNC/HND students taking mechanical engineering courses, including all topics likely to be covered in both years of such courses, as well as for first year undergraduate courses in mechanical engineering. It features 500 problems with answers and 200 worked examples. The third edition includes a new section on power transmission and an appendix on mathematics to help students with the basic notation of calculus and solution of differential equations.

Respiratory mechanics to understand ARDS and guide mechanical ventilation.

Science.gov (United States)

Mauri, Tommaso; Lazzeri, Marta; Bellani, Giacomo; Zanella, Alberto; Grasselli, Giacomo

2017-11-30

As precision medicine is becoming a standard of care in selecting tailored rather than average treatments, physiological measurements might represent the first step in applying personalized therapy in the intensive care unit (ICU). A systematic assessment of respiratory mechanics in patients with the acute respiratory distress syndrome (ARDS) could represent a step in this direction, for two main reasons. Approach and Main results: On the one hand, respiratory mechanics are a powerful physiological method to understand the severity of this syndrome in each single patient. Decreased respiratory system compliance, for example, is associated with low end expiratory lung volume and more severe lung injury. On the other hand, respiratory mechanics might guide protective mechanical ventilation settings. Improved gravitationally dependent regional lung compliance could support the selection of positive end-expiratory pressure and maximize alveolar recruitment. Moreover, the association between driving airway pressure and mortality in ARDS patients potentially underlines the importance of sizing tidal volume on respiratory system compliance rather than on predicted body weight. The present review article aims to describe the main alterations of respiratory mechanics in ARDS as a potent bedside tool to understand severity and guide mechanical ventilation settings, thus representing a readily available clinical resource for ICU physicians.

Project mechanisms challenges

International Nuclear Information System (INIS)

Perthuis, Ch. de

2005-06-01

The project mechanism complete the quotas systems concerning the carbon dioxide emissions market. The author explains and discusses these mechanisms and provides a panorama of the existing and developing projects. More specially she brings information on the mechanism of clean developments and renewable energies, the coordinated mechanisms, the agricultural projects, the financing of the projects and the exchange systeme of the New south Wales. (A.L.B.)

Reaction Mechanism of Mycobacterium Tuberculosis Glutamine Synthetase Using Quantum Mechanics/Molecular Mechanics Calculations.

Science.gov (United States)

Moreira, Cátia; Ramos, Maria J; Fernandes, Pedro Alexandrino

2016-06-27

This paper is devoted to the understanding of the reaction mechanism of mycobacterium tuberculosis glutamine synthetase (mtGS) with atomic detail, using computational quantum mechanics/molecular mechanics (QM/MM) methods at the ONIOM M06-D3/6-311++G(2d,2p):ff99SB//B3LYP/6-31G(d):ff99SB level of theory. The complete reaction undergoes a three-step mechanism: the spontaneous transfer of phosphate from ATP to glutamate upon ammonium binding (ammonium quickly loses a proton to Asp54), the attack of ammonia on phosphorylated glutamate (yielding protonated glutamine), and the deprotonation of glutamine by the leaving phosphate. This exothermic reaction has an activation free energy of 21.5 kcal mol(-1) , which is consistent with that described for Escherichia coli glutamine synthetase (15-17 kcal mol(-1) ). The participating active site residues have been identified and their role and energy contributions clarified. This study provides an insightful atomic description of the biosynthetic reaction that takes place in this enzyme, opening doors for more accurate studies for developing new anti-tuberculosis therapies. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Mechanical and dynamic mechanical behaviour of novel glass ...

Indian Academy of Sciences (India)

M Rajesh

the intra-ply woven fabric hybridization enhances impact and damping properties of the composite ... Keywords. Intra-ply hybrid; natural fibre; mechanical properties; dynamic mechanical analysis; vibration; .... analysis test is conducted in nitrogen environment over a ..... Mnson J A and Jolliet O 2001 Life cycle assessment of.

Mechanical Ventilation

Science.gov (United States)

... ventilation is a life support treatment. A mechanical ventilator is a machine that helps people breathe when ... to breathe enough on their own. The mechanical ventilator is also called a ventilator , respirator, or breathing ...

Mechanisms and mechanics of porosity formation in ductile iron castings

Directory of Open Access Journals (Sweden)

M. Perzyk

2007-12-01

Full Text Available Shrinkage defects in ductile iron castings can be of two basic types: shrinkage cavities associated with the liquid contraction prior to the expansion period of the iron as well as the porosity, which may appear even if the liquid shrinkage is fully compensated. In the present paper two possible mechanisms of the porosity are presented and analyzed. The first one is the Karsay’s mechanism based on the secondary shrinkage concept. The second one is the mechanism acting during the expansion period of the iron, first suggested by Ohnaka and co-authors and essentially modified by the present authors. The mechanical interactions between casting and mould are determined for the both mechanisms. Their analysis leads to the conclusion, that porosity forms during expansion period of the melt. The direct cause is the negative pressure which appears in the central part of the casting due to the differences in expansion coefficients of the fast cooling surface layer and slow cooling inner region. Observations concerning feeding behavior of ductile iron castings, based on this mechanism, agree well with industrial practice. The secondary shrinkage is not only needless to induce the porosity, but the corresponding mechanism of its occurrence, proposed by Karsay, does not seem to be valid.

Weibel instability mediated collisionless shocks using intense laser-driven plasmas

Science.gov (United States)

Palaniyappan, Sasikumar; Fiuza, Federico; Huang, Chengkun; Gautier, Donald; Ma, Wenjun; Schreiber, Jorg; Raymer, Abel; Fernandez, Juan; Shimada, Tom; Johnson, Randall

2017-10-01

The origin of cosmic rays remains a long-standing challenge in astrophysics and continues to fascinate physicists. It is believed that ``collisionless shocks'' - where the particle Coulomb mean free path is much larger that the shock transition - are a dominant source of energetic cosmic rays. These shocks are ubiquitous in astrophysical environments such as gamma-ray bursts, supernova remnants, pulsar wind nebula and coronal mass ejections from the sun. A particular type of electromagnetic plasma instability known as Weibel instability is believed to be the dominant mechanism behind the formation of these collisionless shocks in the cosmos. The understanding of the microphysics behind collisionless shocks and their particle acceleration is tightly related with nonlinear basic plasma processes and remains a grand challenge. In this poster, we will present results from recent experiments at the LANL Trident laser facility studying collisionless shocks using intense ps laser (80J, 650 fs - peak intensity of 1020 W/cm2) driven near-critical plasmas using carbon nanotube foam targets. A second short pulse laser driven protons from few microns thick gold foil is used to radiograph the main laser-driven plasma. Work supported by the LDRD program at LANL.

Handbook of compliant mechanisms

CERN Document Server

Howell, Larry L; Olsen, Brian M

2013-01-01

A fully illustrated reference book giving an easy-to-understand introduction to compliant mechanisms A broad compilation of compliant mechanisms to give inspiration and guidance to those interested in using compliant mechanisms in their designs, the Handbook of Compliant Mechanisms includes graphics and descriptions of many compliant mechanisms. It comprises an extensive categorization of devices that can be used to help readers identify compliant mechanisms related to their application. It also provides chapters on the basic background in compliant mechanisms, the categories o

1996 Laboratory directed research and development annual report

Energy Technology Data Exchange (ETDEWEB)

Meyers, C.E.; Harvey, C.L.; Lopez-Andreas, L.M.; Chavez, D.L.; Whiddon, C.P. [comp.

1997-04-01

This report summarizes progress from the Laboratory Directed Research and Development (LDRD) program during fiscal year 1996. In addition to a programmatic and financial overview, the report includes progress reports from 259 individual R&D projects in seventeen categories. The general areas of research include: engineered processes and materials; computational and information sciences; microelectronics and photonics; engineering sciences; pulsed power; advanced manufacturing technologies; biomedical engineering; energy and environmental science and technology; advanced information technologies; counterproliferation; advanced transportation; national security technology; electronics technologies; idea exploration and exploitation; production; and science at the interfaces - engineering with atoms.

Tensor analysis methods for activity characterization in spatiotemporal data

Energy Technology Data Exchange (ETDEWEB)

Haass, Michael Joseph; Van Benthem, Mark Hilary; Ochoa, Edward M

2014-03-01

Tensor (multiway array) factorization and decomposition offers unique advantages for activity characterization in spatio-temporal datasets because these methods are compatible with sparse matrices and maintain multiway structure that is otherwise lost in collapsing for regular matrix factorization. This report describes our research as part of the PANTHER LDRD Grand Challenge to develop a foundational basis of mathematical techniques and visualizations that enable unsophisticated users (e.g. users who are not steeped in the mathematical details of matrix algebra and mulitway computations) to discover hidden patterns in large spatiotemporal data sets.

Many body theory program

International Nuclear Information System (INIS)

Balatsky, A.V.; Scalapino, D.; Wilkins, J.; Pines, D.; Bedell, K.; Schrieffer, J.R.; Fisk, Z.

1998-01-01

This is the final report of a two-year, Laboratory-Directed Research and Development (LDRD) project at the Los Alamos National Laboratory (LANL). The authors have obtained a description of symmetry of the order parameter and pairing state in high-Tc superconductors. They developed a theory of ferromagnetic instability of Fermi-liquid. They have conducted an experimental investigation of the intermetallic compounds and Zintl-type compound. They investigated the properties of Cu-0 ladders. They have developed the theory of liftshitz tails in superconductors. They have conducted a number of summer workshops

Developing electron beam bunching technology for improving light sources

International Nuclear Information System (INIS)

Carlsten, B.E.; Chan, K.C.D.; Feldman, D.W.

1997-01-01

This is the final report of a three-year, Laboratory-Directed Research and Development (LDRD) project at the Los Alamos National Laboratory (LANL). The goal of this project was to develop a new electron bunch compression technology, experimentally demonstrate subpicosecond compression of bunches with charges on the order of 1 nC, and to theoretically investigate fundamental limitations to electron bunch compression. All of these goals were achieved, and in addition, the compression system built for this project was used to generate 22 nm light in a plasma-radiator light source

A multi-level code for metallurgical effects in metal-forming processes

Energy Technology Data Exchange (ETDEWEB)

Taylor, P.A.; Silling, S.A. [Sandia National Labs., Albuquerque, NM (United States). Computational Physics and Mechanics Dept.; Hughes, D.A.; Bammann, D.J.; Chiesa, M.L. [Sandia National Labs., Livermore, CA (United States)

1997-08-01

The authors present the final report on a Laboratory-Directed Research and Development (LDRD) project, A Multi-level Code for Metallurgical Effects in metal-Forming Processes, performed during the fiscal years 1995 and 1996. The project focused on the development of new modeling capabilities for simulating forging and extrusion processes that typically display phenomenology occurring on two different length scales. In support of model fitting and code validation, ring compression and extrusion experiments were performed on 304L stainless steel, a material of interest in DOE nuclear weapons applications.

Deformation mechanisms in ferritic/martensitic steels and the impact on mechanical design

International Nuclear Information System (INIS)

Ghoniem, Nasr M.; Po, Giacomo; Sharafat, Shahram

2013-01-01

Structural steels for nuclear applications have undergone rapid development during the past few decades, thanks to a combination of trial-and-error, mechanism-based optimization, and multiscale modeling approaches. Deformation mechanisms are shown to be intimately related to mechanical design via dominant plastic deformation modes. Because mechanical design rules are mostly based on failure modes associated with plastic strain damage accumulation, we present here the fundamental deformation mechanisms for Ferritic/Martensitic (F/M) steels, and delineate their operational range of temperature and stress. The connection between deformation mechanisms, failure modes, and mechanical design is shown through application of design rules. A specific example is given for the alloy F82H utilized in the design of a Test Blanket Module (TBM) in the International Thermonuclear Experimental Reactor (ITER), where several constitutive equations are developed for design-related mechanical properties

Deformation mechanisms in ferritic/martensitic steels and the impact on mechanical design

Energy Technology Data Exchange (ETDEWEB)

Ghoniem, Nasr M., E-mail: ghoniem@seas.ucla.edu; Po, Giacomo; Sharafat, Shahram

2013-10-15

Structural steels for nuclear applications have undergone rapid development during the past few decades, thanks to a combination of trial-and-error, mechanism-based optimization, and multiscale modeling approaches. Deformation mechanisms are shown to be intimately related to mechanical design via dominant plastic deformation modes. Because mechanical design rules are mostly based on failure modes associated with plastic strain damage accumulation, we present here the fundamental deformation mechanisms for Ferritic/Martensitic (F/M) steels, and delineate their operational range of temperature and stress. The connection between deformation mechanisms, failure modes, and mechanical design is shown through application of design rules. A specific example is given for the alloy F82H utilized in the design of a Test Blanket Module (TBM) in the International Thermonuclear Experimental Reactor (ITER), where several constitutive equations are developed for design-related mechanical properties.

Robot Mechanisms

CERN Document Server

Lenarcic, Jadran; Stanišić, Michael M

2013-01-01

This book provides a comprehensive introduction to the area of robot mechanisms, primarily considering industrial manipulators and humanoid arms. The book is intended for both teaching and self-study. Emphasis is given to the fundamentals of kinematic analysis and the design of robot mechanisms. The coverage of topics is untypical. The focus is on robot kinematics. The book creates a balance between theoretical and practical aspects in the development and application of robot mechanisms, and includes the latest achievements and trends in robot science and technology.

Mechanical efficiency of two commercial lever-propulsion mechanisms for manual wheelchair locomotion.

Science.gov (United States)

Lui, Jordon; MacGillivray, Megan K; Sheel, A William; Jeyasurya, Jeswin; Sadeghi, Mahsa; Sawatzky, Bonita Jean

2013-01-01

The purpose of this study was to (1) evaluate the mechanical efficiency (ME) of two commercially available lever-propulsion mechanisms for wheelchairs and (2) compare the ME of lever propulsion with hand rim propulsion within the same wheelchair. Of the two mechanisms, one contained a torsion spring while the other used a roller clutch design. We hypothesized that the torsion spring mechanism would increase the ME of propulsion due to a passive recovery stroke enabled by the mechanism. Ten nondisabled male participants with no prior manual wheeling experience performed submaximal exercise tests using both lever-propulsion mechanisms and hand rim propulsion on two different wheelchairs. Cardiopulmonary parameters including oxygen uptake (VO2), heart rate (HR), and energy expenditure (En) were determined. Total external power (Pext) was measured using a drag test protocol. ME was determined by the ratio of Pext to En. Results indicated no significant effect of lever-propulsion mechanism for all physiological measures tested. This suggests that the torsion spring did not result in a physiological benefit compared with the roller clutch mechanism. However, both lever-propulsion mechanisms showed decreased VO2 and HR and increased ME (as a function of slope) compared with hand rim propulsion (p propulsion mechanisms tested are more mechanically efficient than conventional hand rim propulsion, especially when slopes are encountered.

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...

Atomistic insight into the catalytic mechanism of glycosyltransferases by combined quantum mechanics/molecular mechanics (QM/MM) methods.

Science.gov (United States)

Tvaroška, Igor

2015-02-11

Glycosyltransferases catalyze the formation of glycosidic bonds by assisting the transfer of a sugar residue from donors to specific acceptor molecules. Although structural and kinetic data have provided insight into mechanistic strategies employed by these enzymes, molecular modeling studies are essential for the understanding of glycosyltransferase catalyzed reactions at the atomistic level. For such modeling, combined quantum mechanics/molecular mechanics (QM/MM) methods have emerged as crucial. These methods allow the modeling of enzymatic reactions by using quantum mechanical methods for the calculation of the electronic structure of the active site models and treating the remaining enzyme environment by faster molecular mechanics methods. Herein, the application of QM/MM methods to glycosyltransferase catalyzed reactions is reviewed, and the insight from modeling of glycosyl transfer into the mechanisms and transition states structures of both inverting and retaining glycosyltransferases are discussed. Copyright © 2014 Elsevier Ltd. All rights reserved.

Analytical mechanics

CERN Document Server

Lemos, Nivaldo A

2018-01-01

Analytical mechanics is the foundation of many areas of theoretical physics including quantum theory and statistical mechanics, and has wide-ranging applications in engineering and celestial mechanics. This introduction to the basic principles and methods of analytical mechanics covers Lagrangian and Hamiltonian dynamics, rigid bodies, small oscillations, canonical transformations and Hamilton–Jacobi theory. This fully up-to-date textbook includes detailed mathematical appendices and addresses a number of advanced topics, some of them of a geometric or topological character. These include Bertrand's theorem, proof that action is least, spontaneous symmetry breakdown, constrained Hamiltonian systems, non-integrability criteria, KAM theory, classical field theory, Lyapunov functions, geometric phases and Poisson manifolds. Providing worked examples, end-of-chapter problems, and discussion of ongoing research in the field, it is suitable for advanced undergraduate students and graduate students studying analyt...

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...

Introductory Education for Mechanical Engineering by Exercise in Mechanical Disassembly

Science.gov (United States)

Matsui, Yoshio; Asakawa, Naoki; Iwamori, Satoru

An introductory program “Exercise for engineers in mechanical disassembly” is an exercise that ten students of every team disassemble a motor scooter to the components and then assemble again to the initial form in 15 weeks. The purpose of this program is to introduce mechanical engineering by touching the real machine and learning how it is composed from various mechanical parts to the students at the early period after the entrance into the university. Additional short lectures by young teachers and a special lecture by a top engineer in the industry encourage the students to combine the actual machine and the mechanical engineering subjects. Furthermore, various educations such as group leader system, hazard prediction training, parts filing are included in this program. As a result, students recognize the importance of the mechanical engineering study and the way of group working.

Quantum mechanics

International Nuclear Information System (INIS)

Rae, A.I.M.

1981-01-01

This book, based on a thirty lecture course given to students at the beginning of their second year, covers the quantum mechanics required by physics undergraduates. Early chapters deal with wave mechanics, including a discussion of the energy states of the hydrogen atom. These are followed by a more formal development of the theory, leading to a discussion of some advanced applications and an introduction to the conceptual problems associated with quantum measurement theory. Emphasis is placed on the fundamentals of quantum mechanics. Problems are included at the end of each chapter. (U.K.)

Quantum mechanics

CERN Document Server

Powell, John L

2015-01-01

Suitable for advanced undergraduates, this thorough text focuses on the role of symmetry operations and the essentially algebraic structure of quantum-mechanical theory. Based on courses in quantum mechanics taught by the authors, the treatment provides numerous problems that require applications of theory and serve to supplement the textual material.Starting with a historical introduction to the origins of quantum theory, the book advances to discussions of the foundations of wave mechanics, wave packets and the uncertainty principle, and an examination of the Schrödinger equation that includ

Fractional quantum mechanics

CERN Document Server

Laskin, Nick

2018-01-01

Fractional quantum mechanics is a recently emerged and rapidly developing field of quantum physics. This is the first monograph on fundamentals and physical applications of fractional quantum mechanics, written by its founder. The fractional Schrödinger equation and the fractional path integral are new fundamental physical concepts introduced and elaborated in the book. The fractional Schrödinger equation is a manifestation of fractional quantum mechanics. The fractional path integral is a new mathematical tool based on integration over Lévy flights. The fractional path integral method enhances the well-known Feynman path integral framework. Related topics covered in the text include time fractional quantum mechanics, fractional statistical mechanics, fractional classical mechanics and the α-stable Lévy random process. The book is well-suited for theorists, pure and applied mathematicians, solid-state physicists, chemists, and others working with the Schrödinger equation, the path integral technique...

Why quantum mechanics?

International Nuclear Information System (INIS)

Landsberg, P.T.

1988-01-01

It is suggested that an oversight occurred in classical mechanics when time-derivatives of observables were treated on the same footing as the undifferentiated observables. Removal of this oversight points in the direction of quantum mechanics. Additional light is thrown on uncertainty relations and on quantum mechanics, as a possible form of a subtle statistical mechanics, by the formulation of a classical uncertainty relation for a very simple model. The existence of universal motion, i.e., of zero-point energy, is lastly made plausible in terms of a gravitational constant which is time-dependent. By these three considerations an attempt is made to link classical and quantum mechanics together more firmly, thus giving a better understanding of the latter

Advances in Applied Mechanics

OpenAIRE

2013-01-01

Advances in Applied Mechanics draws together recent significant advances in various topics in applied mechanics. Published since 1948, Advances in Applied Mechanics aims to provide authoritative review articles on topics in the mechanical sciences, primarily of interest to scientists and engineers working in the various branches of mechanics, but also of interest to the many who use the results of investigations in mechanics in various application areas, such as aerospace, chemical, civil, en...

ANALYSIS OF THE MECHANICAL STRENGTH OF A DRIVING MECHANISM CALLED SHOCK

Directory of Open Access Journals (Sweden)

Dan ILINCIOIU

2015-05-01

Full Text Available It evaluates the maximum static and dynamic stresses produced in the elements of a quadrilateral mechanism transporting a vehicle in the storage in an urban park. Determine multiplier shock hazard if the mechanism freezes and increases mechanical stress.

Calorimetric investigation on mechanically activated storage energy mechanism of sphalerite and pyrite

International Nuclear Information System (INIS)

Xiao Zhongliang; Chen Qiyuan; Yin Zhoulan; Hu Huiping; Wu Daoxin

2005-01-01

The structural changes of mechanically activated sphalerite and pyrite under different grinding conditions were determined by X-ray powder diffraction (XRD), laser particle size analyzer and elemental analysis. The storage energy of mechanically activated sphalerite and pyrite was measured by a calorimetric method. A thermochemical cycle was designed so that mechanically activated and non-activated minerals reached the same final state when dissolved in the same oxidizing solvent. The results show that the storage energy of mechanically activated sphalerite and pyrite rises with increased in grinding time, and reaches a maximum after a certain grinding period. The storage energy of mechanically activated pyrite decreases when heated under inert atmosphere. The storage energy of mechanically activated sphalerite and pyrite remains constant when treated below 573 K under inert atmosphere. The percentage of the storage energy caused by surface area increase during mechanical activation decreases with increasing grinding time. These results support our opinion that the mechanically activated storage energy of sphalerite is closely related to lattice distortions, and the mechanically activated storage energy of pyrite is mainly caused by the formation of reactive sites on the surface

Quantum opto-mechanics with micromirrors : combining nano-mechanics with quantum optics

International Nuclear Information System (INIS)

Groeblacher, S.

2010-01-01

This work describes more than four years of research on the effects of the radiation-pressure force of light on macroscopic mechanical structures. The basic system studied here is a mechanical oscillator that is highly reflective and part of an optical resonator. It interacts with the optical cavity mode via the radiation-pressure force. Both the dynamics of the mechanical oscillation and the properties of the light field are modified through this interaction. In our experiments we use quantum optical tools (such as homodyning and down-conversion) with the goal of ultimately showing quantum behavior of the mechanical center of mass motion. In this thesis we present several experiments that pave the way towards this goal and when combined should allow the demonstration of the envisioned quantum phenomena, including entanglement, teleportation and Schroeodinger cat states. The study of quantum behavior of truly macroscopic systems is a long outstanding goal, which will help to answer some of the most fundamental questions in quantum physics today: Why is the world around us classical and not quantum? Is there a size- or mass-limit to systems for them to behave according to quantum mechanics? Is quantum theory complete or do we have to extend it to include mechanisms such as decoherence? Can we use the quantum nature of macroscopic objects to, for example, improve the measurement precision of classical apparatuses? The experiments discussed in this thesis include the very first passive radiation-pressure cooling of a mechanical oscillator in a cryogenic optical resonator, as well as the experimental demonstration of radiation-pressure cooling close to the mechanical quantum ground state. Cooling of the mechanical motion is an important pre-condition for observing quantum effects of the mechanical oscillator. In another experiment, we have demonstrated that we are able to enter the strong-coupling regime of the optomechanical system a regime where coherent energy

Quantum mechanics/coarse-grained molecular mechanics (QM/CG-MM).

Science.gov (United States)

Sinitskiy, Anton V; Voth, Gregory A

2018-01-07

Numerous molecular systems, including solutions, proteins, and composite materials, can be modeled using mixed-resolution representations, of which the quantum mechanics/molecular mechanics (QM/MM) approach has become the most widely used. However, the QM/MM approach often faces a number of challenges, including the high cost of repetitive QM computations, the slow sampling even for the MM part in those cases where a system under investigation has a complex dynamics, and a difficulty in providing a simple, qualitative interpretation of numerical results in terms of the influence of the molecular environment upon the active QM region. In this paper, we address these issues by combining QM/MM modeling with the methodology of "bottom-up" coarse-graining (CG) to provide the theoretical basis for a systematic quantum-mechanical/coarse-grained molecular mechanics (QM/CG-MM) mixed resolution approach. A derivation of the method is presented based on a combination of statistical mechanics and quantum mechanics, leading to an equation for the effective Hamiltonian of the QM part, a central concept in the QM/CG-MM theory. A detailed analysis of different contributions to the effective Hamiltonian from electrostatic, induction, dispersion, and exchange interactions between the QM part and the surroundings is provided, serving as a foundation for a potential hierarchy of QM/CG-MM methods varying in their accuracy and computational cost. A relationship of the QM/CG-MM methodology to other mixed resolution approaches is also discussed.

Quantum mechanics/coarse-grained molecular mechanics (QM/CG-MM)

Science.gov (United States)

Sinitskiy, Anton V.; Voth, Gregory A.

2018-01-01

Numerous molecular systems, including solutions, proteins, and composite materials, can be modeled using mixed-resolution representations, of which the quantum mechanics/molecular mechanics (QM/MM) approach has become the most widely used. However, the QM/MM approach often faces a number of challenges, including the high cost of repetitive QM computations, the slow sampling even for the MM part in those cases where a system under investigation has a complex dynamics, and a difficulty in providing a simple, qualitative interpretation of numerical results in terms of the influence of the molecular environment upon the active QM region. In this paper, we address these issues by combining QM/MM modeling with the methodology of "bottom-up" coarse-graining (CG) to provide the theoretical basis for a systematic quantum-mechanical/coarse-grained molecular mechanics (QM/CG-MM) mixed resolution approach. A derivation of the method is presented based on a combination of statistical mechanics and quantum mechanics, leading to an equation for the effective Hamiltonian of the QM part, a central concept in the QM/CG-MM theory. A detailed analysis of different contributions to the effective Hamiltonian from electrostatic, induction, dispersion, and exchange interactions between the QM part and the surroundings is provided, serving as a foundation for a potential hierarchy of QM/CG-MM methods varying in their accuracy and computational cost. A relationship of the QM/CG-MM methodology to other mixed resolution approaches is also discussed.

Transition from the mechanics of material points to the mechanics of structured particles

Science.gov (United States)

Somsikov, V. M.

2016-01-01

In this paper, necessity of creation of mechanics of structured particles is discussed. The way to create this mechanics within the laws of classical mechanics with the use of energy equation is shown. The occurrence of breaking of time symmetry within the mechanics of structured particles is shown, as well as the introduction of concept of entropy in the framework of classical mechanics. The way to create the mechanics of non-equilibrium systems in the thermodynamic approach is shown. It is also shown that the use of hypothesis of holonomic constraints while deriving the canonical Lagrange equation made it impossible to describe irreversible dynamics. The difference between the mechanics of structured particles and the mechanics of material points is discussed. It is also shown that the matter is infinitely divisible according to the laws of classical mechanics.

Schrodinger's mechanics interpretation

CERN Document Server

Cook, David B

2018-01-01

The interpretation of quantum mechanics has been in dispute for nearly a century with no sign of a resolution. Using a careful examination of the relationship between the final form of classical particle mechanics (the Hamilton–Jacobi Equation) and Schrödinger's mechanics, this book presents a coherent way of addressing the problems and paradoxes that emerge through conventional interpretations.Schrödinger's Mechanics critiques the popular way of giving physical interpretation to the various terms in perturbation theory and other technologies and places an emphasis on development of the theory and not on an axiomatic approach. When this interpretation is made, the extension of Schrödinger's mechanics in relation to other areas, including spin, relativity and fields, is investigated and new conclusions are reached.

Automotive Mechanics.

Science.gov (United States)

Linder, Ralph C.; And Others

This curriculum guide, which was validated by vocational teachers and mechanics in the field, describes the competencies needed by entry-level automotive mechanics. This guide lists 15 competencies; for each competency, various tasks with their performance objective, student learning experiences, suggested instructional techniques, instructional…

Mechanical restraint in psychiatry

DEFF Research Database (Denmark)

Bak, Jesper; Zoffmann, Vibeke; Sestoft, Dorte Maria

2014-01-01

PURPOSE: To examine how potential mechanical restraint preventive factors in hospitals are associated with the frequency of mechanical restraint episodes. DESIGN AND METHODS: This study employed a retrospective association design, and linear regression was used to assess the associations. FINDINGS......: Three mechanical restraint preventive factors were significantly associated with low rates of mechanical restraint use: mandatory review (exp[B] = .36, p mechanical...

Mechanical Behaviour of Materials Volume II Fracture Mechanics and Damage

CERN Document Server

François, Dominique; Zaoui, André

2013-01-01

Designing new structural materials, extending lifetimes and guarding against fracture in service are among the preoccupations of engineers, and to deal with these they need to have command of the mechanics of material behaviour. This ought to reflect in the training of students. In this respect, the first volume of this work deals with elastic, elastoplastic, elastoviscoplastic and viscoelastic behaviours; this second volume continues with fracture mechanics and damage, and with contact mechanics, friction and wear. As in Volume I, the treatment links the active mechanisms on the microscopic scale and the laws of macroscopic behaviour. Chapter I is an introduction to the various damage phenomena. Chapter II gives the essential of fracture mechanics. Chapter III is devoted to brittle fracture, chapter IV to ductile fracture and chapter V to the brittle-ductile transition. Chapter VI is a survey of fatigue damage. Chapter VII is devoted to hydogen embrittlement and to environment assisted cracking, chapter VIII...

Applications of quantum mechanical techniques to areas outside of quantum mechanics

CERN Document Server

Khrennikov, Andrei

2018-01-01

This book deals with applications of quantum mechanical techniques to areas outside of quantum mechanics, so-called quantum-like modeling. Research in this area has grown over the last 15 years. But even already more than 50 years ago, the interaction between Physics Nobelist Pauli and the psychologist Carl Jung in the 1950's on seeking to find analogous uses of the complementarity principle from quantum mechanics in psychology needs noting. This book does NOT want to advance that society is quantum mechanical! The macroscopic world is manifestly not quantum mechanical. But this rules not out that one can use concepts and the mathematical apparatus from quantum physics in a macroscopic environment. A mainstay ingredient of quantum mechanics, is 'quantum probability' and this tool has been proven to be useful in the mathematical modelling of decision making. In the most basic experiment of quantum physics, the double slit experiment, it is known (from the works of A. Khrennikov) that the law of total probabi...

Engineering mechanics

CERN Document Server

Gross, Dietmar; Schröder, Jörg; Wall, Wolfgang A; Rajapakse, Nimal

Statics is the first volume of a three-volume textbook on Engineering Mechanics. The authors, using a time-honoured straightforward and flexible approach, present the basic concepts and principles of mechanics in the clearest and simplest form possible to advanced undergraduate engineering students of various disciplines and different educational backgrounds. An important objective of this book is to develop problem solving skills in a systematic manner. Another aim of this volume is to provide engineering students as well as practising engineers with a solid foundation to help them bridge the gap between undergraduate studies on the one hand and advanced courses on mechanics and/or practical engineering problems on the other. The book contains numerous examples, along with their complete solutions. Emphasis is placed upon student participation in problem solving. The contents of the book correspond to the topics normally covered in courses on basic engineering mechanics at universities and colleges. Now in i...

Parametric study of control mechanism of cortical bone remodeling under mechanical stimulus

Science.gov (United States)

Wang, Yanan; Qin, Qing-Hua

2010-03-01

The control mechanism of mechanical bone remodeling at cellular level was investigated by means of an extensive parametric study on a theoretical model described in this paper. From a perspective of control mechanism, it was found that there are several control mechanisms working simultaneously in bone remodeling which is a complex process. Typically, an extensive parametric study was carried out for investigating model parameter space related to cell differentiation and apoptosis which can describe the fundamental cell lineage behaviors. After analyzing all the combinations of 728 permutations in six model parameters, we have identified a small number of parameter combinations that can lead to physiologically realistic responses which are similar to theoretically idealized physiological responses. The results presented in the work enhanced our understanding on mechanical bone remodeling and the identified control mechanisms can help researchers to develop combined pharmacological-mechanical therapies to treat bone loss diseases such as osteoporosis.

Nonlinear mechanics a supplement to theoretical mechanics of particles and continua

CERN Document Server

Fetter, Alexander L

2006-01-01

In their prior Dover book, Theoretical Mechanics of Particles and Continua, Alexander L. Fetter and John Dirk Walecka provided a lucid and self-contained account of classical mechanics, together with appropriate mathematical methods. This supplement-an update of that volume-offers a bridge to contemporary mechanics.The original book's focus on continuum mechanics-with chapters on sound waves in fluids, surface waves on fluids, heat conduction, and viscous fluids-forms the basis for this supplement's discussion of nonlinear continuous systems. Topics include linearized stability analysis; a det

Mechanical rebar splicing

Directory of Open Access Journals (Sweden)

Milosavljević Branko

2014-01-01

Full Text Available Different mechanical rebar splicing systems are presented, and design situations where mechanical splicing has advantage over reinforcement splicing by overlapping and welding are defined in this paper. New international standards for testing and proof of systems for mechanical rebar splicing quality are considered. Mechanical splicing system for rebar and bolt connection, usable in steel and reinforced concrete structural elements connections, is presented in this paper. There are only few examples of mechanical rebar splicing in our country. The most significant one - the pylon and beam connection at Ada Bridge in Belgrade is presented in the paper. Intensive development of production and use of mechanical rebar splicing systems, research in this area, as well as the publication of international standards prescribing requirements for quality and procedures for proof of quality, represent very good base for development of the corresponding technical norms in Serbia. The legislation in this area would quicken proof of quality procedures, attest and approval issuing for individual products, leading to wider use of this system in all situations where it is in advantage over the classical reinforcement splicing.

Fluid mechanics as a driver of tissue-scale mechanical signaling in organogenesis.

Science.gov (United States)

Gilbert, Rachel M; Morgan, Joshua T; Marcin, Elizabeth S; Gleghorn, Jason P

2016-12-01

Organogenesis is the process during development by which cells self-assemble into complex, multi-scale tissues. Whereas significant focus and research effort has demonstrated the importance of solid mechanics in organogenesis, less attention has been given to the fluid forces that provide mechanical cues over tissue length scales. Fluid motion and pressure is capable of creating spatial gradients of forces acting on cells, thus eliciting distinct and localized signaling patterns essential for proper organ formation. Understanding the multi-scale nature of the mechanics is critically important to decipher how mechanical signals sculpt developing organs. This review outlines various mechanisms by which tissues generate, regulate, and sense fluid forces and highlights the impact of these forces and mechanisms in case studies of normal and pathological development.

Defining Game Mechanics

DEFF Research Database (Denmark)

Sicart (Vila), Miguel Angel

2008-01-01

This article defins game mechanics in relation to rules and challenges. Game mechanics are methods invoked by agents for interacting with the game world. I apply this definition to a comparative analysis of the games Rez, Every Extend Extra and Shadow of the Colossus that will show the relevance...... of a formal definition of game mechanics. Udgivelsesdato: Dec 2008...

A quantum mechanics/molecular mechanics study on the hydrolysis mechanism of New Delhi metallo-β-lactamase-1.

Science.gov (United States)

Zhu, Kongkai; Lu, Junyan; Liang, Zhongjie; Kong, Xiangqian; Ye, Fei; Jin, Lu; Geng, Heji; Chen, Yong; Zheng, Mingyue; Jiang, Hualiang; Li, Jun-Qian; Luo, Cheng

2013-03-01

New Delhi metallo-β-lactamase-1 (NDM-1) has emerged as a major global threat to human health for its rapid rate of dissemination and ability to make pathogenic microbes resistant to almost all known β-lactam antibiotics. In addition, effective NDM-1 inhibitors have not been identified to date. In spite of the plethora of structural and kinetic data available, the accurate molecular characteristics of and details on the enzymatic reaction of NDM-1 hydrolyzing β-lactam antibiotics remain incompletely understood. In this study, a combined computational approach including molecular docking, molecular dynamics simulations and quantum mechanics/molecular mechanics calculations was performed to characterize the catalytic mechanism of meropenem catalyzed by NDM-1. The quantum mechanics/molecular mechanics results indicate that the ionized D124 is beneficial to the cleavage of the C-N bond within the β-lactam ring. Meanwhile, it is energetically favorable to form an intermediate if no water molecule coordinates to Zn2. Moreover, according to the molecular dynamics results, the conserved residue K211 plays a pivotal role in substrate binding and catalysis, which is quite consistent with previous mutagenesis data. Our study provides detailed insights into the catalytic mechanism of NDM-1 hydrolyzing meropenem β-lactam antibiotics and offers clues for the discovery of new antibiotics against NDM-1 positive strains in clinical studies.

Macro-mechanics controls quantum mechanics: mechanically controllable quantum conductance switching of an electrochemically fabricated atomic-scale point contact.

Science.gov (United States)

Staiger, Torben; Wertz, Florian; Xie, Fangqing; Heinze, Marcel; Schmieder, Philipp; Lutzweiler, Christian; Schimmel, Thomas

2018-01-12

Here, we present a silver atomic-scale device fabricated and operated by a combined technique of electrochemical control (EC) and mechanically controllable break junction (MCBJ). With this EC-MCBJ technique, we can perform mechanically controllable bistable quantum conductance switching of a silver quantum point contact (QPC) in an electrochemical environment at room temperature. Furthermore, the silver QPC of the device can be controlled both mechanically and electrochemically, and the operating mode can be changed from 'electrochemical' to 'mechanical', which expands the operating mode for controlling QPCs. These experimental results offer the perspective that a silver QPC may be used as a contact for a nanoelectromechanical relay.

Mechanisms, Transmissions and Applications

CERN Document Server

Corves, Burkhard

2012-01-01

The first Workshop on Mechanisms, Transmissions and Applications -- MeTrApp-2011 was organized by the Mechatronics Department at the Mechanical Engineering Faculty, “Politehnica” University of Timisoara, Romania, under the patronage of the IFToMM Technical Committees Linkages and Mechanical Controls and Micromachines. The workshop brought together researchers and students who work in disciplines associated with mechanisms science and offered a great opportunity for scientists from all over the world to present their achievements, exchange innovative ideas and create solid international links, setting the trend for future developments in this important and creative field. The topics treated in this volume are mechanisms and machine design, mechanical transmissions, mechatronic and biomechanic applications, computational and experimental methods, history of mechanism and machine science and teaching methods.

Indexing mechanisms

International Nuclear Information System (INIS)

Wood, A.G.; Parker, G.E.; Berry, R.

1976-01-01

It is stated that the indexing mechanism described can be used in a nuclear reactor fuel element inspection rig. It comprises a tubular body adapted to house a canister containing a number of fuel elements located longtitudinally, and has two chucks spaced apart for displacing the fuel elements longitudinally in a stepwise manner, together with a plunger mechanism for displacing them successively into the chucks. A measuring unit is located between the chucks for measuring the diameter of the fuel elements at intervals about their circumferences, and a secondary indexing mechanism is provided for rotating the measuring unit in a stepwise manner. (U.K.)

Real-time observations of mechanical stimulus-induced enhancements of mechanical properties in osteoblast cells

International Nuclear Information System (INIS)

Zhang Xu; Liu Xiaoli; Sun Jialun; He Shuojie; Lee, Imshik; Pak, Hyuk Kyu

2008-01-01

Osteoblast, playing a key role in the pathophysiology of osteoporosis, is one of the mechanical stress sensitive cells. The effects of mechanical load-induced changes of mechanical properties in osteoblast cells were studied at real-time. Osteoblasts obtained from young Wister rats were exposed to mechanical loads in different frequencies and resting intervals generated by atomic force microscopy (AFM) probe tip and simultaneously measured the changes of the mechanical properties by AFM. The enhancement of the mechanical properties was observed and quantified by the increment of the apparent Young's modulus, E * . The observed mechanical property depended on the frequency of applied tapping loads. For the resting interval is 50 s, the mechanical load-induced enhancement of E * -values disappears. It seems that the enhanced mechanical property was recover able under no additional mechanical stimulus

Mechanics rules cell biology

Directory of Open Access Journals (Sweden)

Wang James HC

2010-07-01

Full Text Available Abstract Cells in the musculoskeletal system are subjected to various mechanical forces in vivo. Years of research have shown that these mechanical forces, including tension and compression, greatly influence various cellular functions such as gene expression, cell proliferation and differentiation, and secretion of matrix proteins. Cells also use mechanotransduction mechanisms to convert mechanical signals into a cascade of cellular and molecular events. This mini-review provides an overview of cell mechanobiology to highlight the notion that mechanics, mainly in the form of mechanical forces, dictates cell behaviors in terms of both cellular mechanobiological responses and mechanotransduction.

Relativistic quantum mechanics

International Nuclear Information System (INIS)

Ollitrault, J.Y.

1998-12-01

These notes form an introduction to relativistic quantum mechanics. The mathematical formalism has been reduced to the minimum in order to enable the reader to calculate elementary physical processes. The second quantification and the field theory are the logical followings of this course. The reader is expected to know analytical mechanics (Lagrangian and Hamiltonian), non-relativistic quantum mechanics and some basis of restricted relativity. The purpose of the first 3 chapters is to define the quantum mechanics framework for already known notions about rotation transformations, wave propagation and restricted theory of relativity. The next 3 chapters are devoted to the application of relativistic quantum mechanics to a particle with 0,1/5 and 1 spin value. The last chapter deals with the processes involving several particles, these processes require field theory framework to be thoroughly described. (A.C.)

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...

Introduction to analytical mechanics

CERN Document Server

Gamalath, KAILW

2011-01-01

INTRODUCTION TO ANALYTICAL MECHANICS is an attempt to introduce the modern treatment of classical mechanics so that transition to many fields in physics can be made with the least difficulty. This book deal with the formulation of Newtonian mechanics, Lagrangian dynamics, conservation laws relating to symmetries, Hamiltonian dynamics Hamilton's principle, Poisson brackets, canonical transformations which are invaluable in formulating the quantum mechanics and Hamilton-Jacobi equation which provides the transition to wave mechanics.

Defense Mechanisms: A Bibliography.

Science.gov (United States)

Pedrini, D. T.; Pedrini, Bonnie C.

This bibliography includes studies of defense mechanisms, in general, and studies of multiple mechanisms. Defense mechanisms, briefly and simply defined, are the unconscious ego defendants against unpleasure, threat, or anxiety. Sigmund Freud deserves the clinical credit for studying many mechanisms and introducing them in professional literature.…

Quantum mechanics as a natural generalization of classical statistical mechanics

International Nuclear Information System (INIS)

Xu Laizi; Qian Shangwu

1994-01-01

By comparison between equations of motion of geometrical optics (GO) and that of classical statistical mechanics (CSM), it is found that there should be an analogy between GO and CSM instead of GO and classical mechanics (CM). Furthermore, by comparison between the classical limit (CL) of quantum mechanics (QM) and CSM, the authors find that CL of QM is CSM not CM, hence they demonstrated that QM is a natural generalization of CSM instead of CM

Study on a mechanical snubber with an adjustment mechanism for resisting force

International Nuclear Information System (INIS)

Ohmata, Kenichiro; Miyanaga, Hiroyuki.

1991-01-01

The mechanical snubber is an earthquakeproof device for a piping system under particular circumstances such as high temperature and radioactivity. It restrains the piping system by a strong resisting force during an earthquake. This strong force can cause elastic failure of grooves on a brake disk, where steel balls are placed. In this report, an improved mechanical snubber having an adjustment mechanism for resisting force is proposed in order to obtain a mechanical snubber which has almost the same restraint effect and less resisting force in comparison with a conventional mechanical snubber. The resisting force characteristics and the restraint effect of the improved mechanical snubber applied to a simple beam are discussed both numerically and experimentally. The digital simulations are carried out using the Continuous System Simulation Language (CSSL). (author)

Current Solid Mechanics Research

DEFF Research Database (Denmark)

Tvergaard, Viggo

2016-01-01

About thirty years ago James Lighthill wrote an essay on “What is Mechanics?” With that he also included some examples of the applications of mechanics. While his emphasis was on fluid mechanics, his own research area, he also included examples from research activities in solid mechanics....

Vibrational spectra of nanowires measured using laser doppler vibrometry and STM studies of epitaxial graphene : an LDRD fellowship report.

Energy Technology Data Exchange (ETDEWEB)

Biedermann, Laura Butler

2009-09-01

MWNTs, their vibration spectra was more extensively studied. The thermal vibration spectra of Ag{sub 2}Ga nanoneedles was measured under both ambient and low-vacuum conditions. The operational deflection shapes of the vibrating Ag{sub 2}Ga nanoneedles was also measured, allowing confirmation of the eigenmodes of vibration. The modulus of the crystalline nanoneedles was 84.3 {+-} 1.0 GPa. Gas damping is the dominate mechanism of energy loss for nanowires oscillating under ambient conditions. The measured quality factors, Q, of oscillation are in line with theoretical predictions of air damping in the free molecular gas damping regime. In the free molecular regime, Q{sub gas} is linearly proportional to the density and diameter of the nanowire and inversely proportional to the air pressure. Since the density of the Ag{sub 2}Ga nanoneedles is three times that of the MWNTs, the Ag{sub 2}Ga nanoneedles have greater Q at atmospheric pressures. Our initial measurements of Q for Ag{sub 2}Ga nanoneedles in low-vacuum (10 Torr) suggest that the intrinsic Q of these nanoneedles may be on the order of 1000. The epitaxial carbon that grows after heating (000{bar 1}) silicon carbide (SiC) to high temperatures (1450-1600) in vacuum was also studied. At these high temperatures, the surface Si atoms sublime and the remaining C atoms reconstruct to form graphene. X-ray photoelectron spectroscopy (XPS) and scanning tunneling microscopy (STM) were used to characterize the quality of the few-layer graphene (FLG) surface. The XPS studies were useful in confirming the graphitic composition and measuring the thickness of the FLG samples. STM studies revealed a wide variety of nanometer-scale features that include sharp carbon-rich ridges, moire superlattices, one-dimensional line defects, and grain boundaries. By imaging these features with atomic scale resolution, considerable insight into the growth mechanisms of FLG on the carbon-face of SiC is obtained.

Numerical Solutions of Mechanical Turbulent Filtration Equation Used in Mechatronics and Micro Mechanic

OpenAIRE

Hassan Fathabadi

2013-01-01

In this study, several novel numerical solutions are presented to solve the turbulent filtration equation and its special case called “Non-Newtonian mechanical filtration equation”. The turbulent filtration equation in porous media is a very important equation which has many applications to solve the problems appearing especially in mechatronics, micro mechanic and fluid mechanic. Many applied mechanical problems can be solved using this equation. For example, non-Newtonian mechanical filtrat...

The Purdue Mechanics Freeform Classroom: A New Approach to Engineering Mechanics Education

OpenAIRE

Rhoads, Jeffrey F.; Nauman, Eric; Holloway, Beth M; Krousgrill, Charles Morton

2014-01-01

The [REMOVED] Mechanics Freeform Classroom: A New Approach to Engineering Mechanics EducationMotivated by the need to address the broad spectrum of learning styles embraced by today’sengineering students, a desire to encourage active, peer-to-peer, and self-learning, and a goal ofinteracting with every student despite ever-expanding enrollments, the mechanics faculty at[REMOVED] University have developed the [REMOVED] Mechanics Freeform Classroom(PMFC) -- a new approach to engineering mechani...

Quantum mechanics

CERN Document Server

Fitzpatrick, Richard

2015-01-01

Quantum mechanics was developed during the first few decades of the twentieth century via a series of inspired guesses made by various physicists, including Planck, Einstein, Bohr, Schroedinger, Heisenberg, Pauli, and Dirac. All these scientists were trying to construct a self-consistent theory of microscopic dynamics that was compatible with experimental observations. The purpose of this book is to present quantum mechanics in a clear, concise, and systematic fashion, starting from the fundamental postulates, and developing the theory in as logical manner as possible. Topics covered in the book include the fundamental postulates of quantum mechanics, angular momentum, time-dependent and time-dependent perturbation theory, scattering theory, identical particles, and relativistic electron theory.

Mechanics

CERN Document Server

Hartog, J P Den

1961-01-01

First published over 40 years ago, this work has achieved the status of a classic among introductory texts on mechanics. Den Hartog is known for his lively, discursive and often witty presentations of all the fundamental material of both statics and dynamics (and considerable more advanced material) in new, original ways that provide students with insights into mechanical relationships that other books do not always succeed in conveying. On the other hand, the work is so replete with engineering applications and actual design problems that it is as valuable as a reference to the practicing e

Insights into the catalytic mechanism of dehydrogenase BphB: A quantum mechanics/molecular mechanics study.

Science.gov (United States)

Zhang, Ruiming; Shi, Xiangli; Sun, Yanhui; Zhang, Qingzhu; Wang, Wenxing

2018-05-17

The present study delineated the dehydrogenation mechanism of cis-2,3-dihydro-2,3-dihydroxybiphenyl (2,3-DDBPH) and cis-2,3-dihydro-2,3-dihydroxy-4,4'-dichlorobiphenyl (2,3-DD-4,4'-DBPH) by Pandoraea pnomenusa strain B-356 cis-2,3-dihydro-2,3-dihydroxybiphenyl dehydrogenase (BphB) in atomistic detail. The enzymatic process was investigated by a combined quantum mechanics/molecular mechanics (QM/MM) approach. Five different snapshots were extracted and calculated, which revealed that the Boltzmann-weighted average barriers of 2,3-DDBPH and 2,3-DD-4,4'-DBPH dehydrogenation processes are 10.7 and 11.5 kcal mol -1 , respectively. The established dehydrogenation mechanism provides new insight into the degradation processes of other chlorinated 2,3-DDBPH. In addition to Asn115, Ser142, and Lys149, the importance of Ile 89, Asn143, Pro184, Met 187, Thr189, and Lue 191 during the dehydrogenation process of 2,3-DDBPH and 2,3-DD-4,4'-DBPH were also highlighted to search for promising mutation targets for improving the catalytic efficiency of BphB. Copyright © 2018. Published by Elsevier Ltd.

Abrasive wear mechanisms and surface layer structure of refractory materials after mechanical working

International Nuclear Information System (INIS)

Milman, Y.V.; Lotsko, D.V.

1989-01-01

The mechanisms of abrasive wear and surface layer structure formation after different kinds of mechanical working are considered in terms of fracture and plastic deformation mechanisms for various refractory materials. The principles for classification of abrasive wear mechanisms are proposed, the four types of wear mechanisms are distinguished for various combinations of fractures and plastic deformation types. The concept of characteristic deformation temperature t * (knee temperature) is used. Detailed examples are given of investigating the surface layer structures in grinded crystals of sapphire and molybdenum. The amorphisation tendency of the thinnest surface layer while mechanical polishing is discussed separately. 19 refs., 11 figs., 2 tabs. (Author)

A Novel Method of Mechanical Oxidation of CNT for Polymer Nanocomposite Application: Evaluation of Mechanical, Dynamic Mechanical, and Rheological Properties

Directory of Open Access Journals (Sweden)

Priyanka Pandey

2014-01-01

Full Text Available A new approach of oxidation of carbon nanotubes has been used to oxidize the CNTs. A comparative aspect of the mechanical oxidation and acid oxidation process has been established. FTIR analysis and titration method have shown the higher feasibility of the mechanical oxidation method to oxidize the CNTs. Comparatively less damage to the CNTs has been observed in case of mechanically oxidized as compared to acid oxidized CNTs. The mechanical properties of the nanocomposites reinforced with the acid oxidized CNT (ACNT and mechanically oxidized CNTs (McCNT were analyzed and relatively higher properties in the nanocomposites reinforced with McCNT were noticed. The less degree of entanglement in the McCNTs was noticed as compared to ACNTs. The dynamic mechanical analysis of the nanocomposites revealed much improved load transfer capability in the McCNT reinforced composites. Further, the rheological properties of the nanocomposites revealed the higher performance of McCNT reinforced composites.

Mechanical Systems, Classical Models

CERN Document Server

Teodorescu, Petre P

2009-01-01

This third volume completes the Work Mechanical Systems, Classical Models. The first two volumes dealt with particle dynamics and with discrete and continuous mechanical systems. The present volume studies analytical mechanics. Topics like Lagrangian and Hamiltonian mechanics, the Hamilton-Jacobi method, and a study of systems with separate variables are thoroughly discussed. Also included are variational principles and canonical transformations, integral invariants and exterior differential calculus, and particular attention is given to non-holonomic mechanical systems. The author explains in detail all important aspects of the science of mechanics, regarded as a natural science, and shows how they are useful in understanding important natural phenomena and solving problems of interest in applied and engineering sciences. Professor Teodorescu has spent more than fifty years as a Professor of Mechanics at the University of Bucharest and this book relies on the extensive literature on the subject as well as th...

Mechanics and uncertainty

CERN Document Server

Lemaire, Maurice

2014-01-01

Science is a quest for certainty, but lack of certainty is the driving force behind all of its endeavors. This book, specifically, examines the uncertainty of technological and industrial science. Uncertainty and Mechanics studies the concepts of mechanical design in an uncertain setting and explains engineering techniques for inventing cost-effective products. Though it references practical applications, this is a book about ideas and potential advances in mechanical science.

Complications of mechanical ventilation

Directory of Open Access Journals (Sweden)

Drašković Biljana

2011-01-01

Full Text Available Mechanical ventilation of the lungs, as an important therapeutic measure, cannot be avoided in critically ill patients. However, when machines take over some of vital functions there is always a risk of complications and accidents. Complications associated with mechanical ventilation can be divided into: 1 airway-associated complications; 2 complications in the response of patients to mechanical ventilation; and 3 complications related to the patient’s response to the device for mechanical ventilation. Complications of artificial airway may be related to intubation and extubation or the endotracheal tube. Complications of mechanical ventilation, which arise because of the patient’s response to mechanical ventilation, may primarily cause significant side effects to the lungs. During the last two decades it was concluded that mechanical ventilation can worsen or cause acute lung injury. Mechanical ventilation may increase the alveolar/capillary permeability by overdistension of the lungs (volutrauma, it can exacerbate lung damage due to the recruitment/derecruitment of collapsed alveoli (atelectrauma and may cause subtle damages due to the activation of inflammatory processes (biotrauma. Complications caused by mechanical ventilation, beside those involving the lungs, can also have significant effects on other organs and organic systems, and can be a significant factor contributing to the increase of morbidity and mortality in critically ill of mechanically ventilated patients. Complications are fortunately rare and do not occur in every patient, but due to their seriousness and severity they require extensive knowledge, experience and responsibility by health-care workers.

Mechanical design in embryos: mechanical signalling, robustness and developmental defects.

Science.gov (United States)

Davidson, Lance A

2017-05-19

Embryos are shaped by the precise application of force against the resistant structures of multicellular tissues. Forces may be generated, guided and resisted by cells, extracellular matrix, interstitial fluids, and how they are organized and bound within the tissue's architecture. In this review, we summarize our current thoughts on the multiple roles of mechanics in direct shaping, mechanical signalling and robustness of development. Genetic programmes of development interact with environmental cues to direct the composition of the early embryo and endow cells with active force production. Biophysical advances now provide experimental tools to measure mechanical resistance and collective forces during morphogenesis and are allowing integration of this field with studies of signalling and patterning during development. We focus this review on concepts that highlight this integration, and how the unique contributions of mechanical cues and gradients might be tested side by side with conventional signalling systems. We conclude with speculation on the integration of large-scale programmes of development, and how mechanical responses may ensure robust development and serve as constraints on programmes of tissue self-assembly.This article is part of the themed issue 'Systems morphodynamics: understanding the development of tissue hardware'. © 2017 The Author(s).

Mechanical Design of Downhole Tractor Based on Two-Way Self-locking Mechanism

Science.gov (United States)

Fang, Delei; Shang, Jianzhong; Luo, Zirong; Wu, Guoheng; Liu, Yiying

2018-03-01

Based on the technology of horizontal well tractor, a kind of downhole tractor was developed which can realize Two-Way self-locking function. Aiming at the needs of horizontal well logging to realize the target of small size, high traction and high reliability, the tractor selects unique heart-shaped CAM as the locking mechanism. The motion principle of telescopic downhole tractor, the design of mechanical structure and locking principle of the locking mechanism are all analyzed. The mathematical expressions of traction are obtained by mechanical analysis of parallel support rod in the locking mechanism. The force analysis and contour design of the heart-shaped CAM are performed, which can lay the foundation for the development of tractor prototype.

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

Mechanical deformation of atomic-scale metallic contacts: Structure and mechanisms

DEFF Research Database (Denmark)

Sørensen, Mads Reinholdt; Brandbyge, Mads; Jacobsen, Karsten Wedel

1998-01-01

We have simulated the mechanical deformation of atomic-scale metallic contacts under tensile strain using molecular dynamics and effective medium theory potentials. The evolution of the structure of the contacts and the underlying deformation mechanisms are described along with the calculated......, but vacancies can be permanently present. The transition states and energies for slip mechanisms have been determined using the nudged elastic band method, and we find a size-dependent crossover from a dislocation-mediated slip to a homogeneous slip when the contact diameter becomes less than a few nm. We show...

Mechanical and electro-mechanical properties of three-dimensional nanoporous graphene-poly(vinylidene fluoride composites

Directory of Open Access Journals (Sweden)

G. P. Zheng

2016-09-01

Full Text Available Three-dimensional nanoporous graphene monoliths are utilized to prepare graphene-poly(vinylidene fluoride nanocomposites with enhanced mechanical and electro-mechanical properties. Pre-treatment of the polymer (poly(vinylidene fluoride, PVDF with graphene oxides (GOs facilitates the formation of uniform and thin PVDF films with a typical thickness below 100 nm well coated at the graphene nano-sheets. Besides their excellent compressibility, ductility and mechanical strength, the nanoporous graphene-PVDF nanocomposites are found to possess high sensitivity in strain-dependent electrical conductivity. The improved mechanical and electro-mechanical properties are ascribed to the enhanced crystalline β phase in PVDF which possesses piezoelectricity. The mechanical relaxation analyses on the interfaces between graphene and PVDF reveal that the improved mechanical and electro-mechanical properties could result from the interaction between the –C=O groups in the nanoporous graphene and the –CF2 groups in PVDF, which also explains the important role of GOs in the preparation of the graphene-polymer nanocomposites with superior combined mechanical and electro-mechanical properties.

Generalized mechanics as a representation of the ordinary mechanics

International Nuclear Information System (INIS)

Knapecz, G.

1974-01-01

It is shown that the generalized mechanics of one masspoint may be interpreted as a special representation of the ordinary mechanics of a system of masspoints. The hormorphism of both representations is shown in the case of two masspoints coupled by a harmonic force. The new representation is applied in the special relativic meachanics of mass-points. (author)

Quantum Mechanics/Molecular Mechanics Simulations Identify the Ring-Opening Mechanism of Creatininase.

Science.gov (United States)

Jitonnom, Jitrayut; Mujika, Jon I; van der Kamp, Marc W; Mulholland, Adrian J

2017-12-05

Creatininase catalyzes the conversion of creatinine (a biosensor for kidney function) to creatine via a two-step mechanism: water addition followed by ring opening. Water addition is common to other known cyclic amidohydrolases, but the precise mechanism for ring opening is still under debate. The proton donor in this step is either His178 or a water molecule bound to one of the metal ions, and the roles of His178 and Glu122 are unclear. Here, the two possible reaction pathways have been fully examined by means of combined quantum mechanics/molecular mechanics simulations at the SCC-DFTB/CHARMM22 level of theory. The results indicate that His178 is the main catalytic residue for the whole reaction and explain its role as proton shuttle during the ring-opening step. In the first step, His178 provides electrostatic stabilization to the gem-diolate tetrahedral intermediate. In the second step, His178 abstracts the hydroxyl proton of the intermediate and delivers it to the cyclic amide nitrogen, leading to ring opening. The latter is the rate-limiting step with a free energy barrier of 18.5 kcal/mol, in agreement with the experiment. We find that Glu122 must be protonated during the enzyme reaction, so that it can form a stable hydrogen bond with its neighboring water molecule. Simulations of the E122Q mutant showed that this replacement disrupts the H-bond network formed by three conserved residues (Glu34, Ser78, and Glu122) and water, increasing the energy barrier. Our computational studies provide a comprehensive explanation for previous structural and kinetic observations, including why the H178A mutation causes a complete loss of activity but the E122Q mutation does not.

Compliant Space Mechanisms

Data.gov (United States)

National Aeronautics and Space Administration — OBJECTIVES The proposed research will combine the areas of compliant mechanisms and space technology. Compliant mechanisms perform their function through the elastic...

Mechanism of laser micro-adjustment

International Nuclear Information System (INIS)

Shen Hong

2008-01-01

Miniaturization is a requirement in engineering to produce competitive products in the field of optical and electronic industries. Laser micro-adjustment is a new and promising technology for sheet metal actuator systems. Efforts have been made to understand the mechanisms of metal plate forming using a laser heating source. Three mechanisms have been proposed for describing the laser forming processes in different scenarios, namely the temperature gradient mechanism (TGM), buckling mechanism and upsetting mechanism (UM). However, none of these mechanisms can fully describe the deformation mechanisms involved in laser micro-adjustment. Based on the thermal and elastoplastic analyses, a coupled TGM and UM are presented in this paper to illustrate the thermal mechanical behaviours of two-bridge actuators when applying a laser forming process. To validate the proposed coupling mechanism, numerical simulations are carried out and the corresponding results demonstrate the mechanism proposed. The mechanism of the micro-laser adjustment could be taken as a supplement to the laser forming process.

Supersymmetric mechanics. Vol. 2. The attractor mechanism and space time singularities

International Nuclear Information System (INIS)

Bellucci, S.; Marrani, A.; Ferrara, S.

2006-01-01

This is the second volume in a series of books on the general theme of Supersymmetric Mechanics; the series is based on lectures and discussions held in 2005 and 2006 at the INFN-Laboratori Nazionali di Frascati. The first volume appears as Lect. Notes Physics, Vol. 698 ''Supersymmetric Mechanics, Vol.1: Supersymmetry, Noncommutativity and Matrix Models'' (2006) ISBN: 3-540-33313-4. The present extensive lecture supplies a pedagogical introduction, at the non-expert level, to the attractor mechanism in space-time singularities. In such a framework, supersymmetry seems to be related to dynamical systems with fixed points, describing the equilibrium state and the stability features of the thermodynamics of black holes. After a qualitative overview, explicit examples realizing the attractor mechanism are treated at some length; they include relevant cases of asymptotically flat, maximal and non-maximal, extended supergravities in 4 and 5 dimensions. A number of recent advances along various directions of research on the attractor mechanism are also given. (orig.)

Mechanical Testing of MLCCs

Science.gov (United States)

Teverovsky, Alexander A.

2016-01-01

Cracking of multilayer ceramic capacitors, MLCCs, remains a serious problem for space systems. This problem increases substantially for large size capacitors and in cases when manual soldering is involved or the system experiences mechanical shock or vibration. In any case, a fracture occurs when the sum of external and internal mechanical stresses exceeds the strength of the part. To reduce the probability of cracking, the level of stress should be reduced, e.g. by optimizing the assembly workmanship and rules for board design, and the strength of the parts increased by selecting the most mechanically robust capacitors. The latter might possibly be achieved by selecting MLCCs based on the in-situ measurements of mechanical characteristics using four types of tests: flexural strength, hardness, fracture toughness, and flex bend testing. Note that military specifications MIL-PRF-123 and MIL-PRF-55681 do not have requirements for mechanical testing of the parts. However, specifications for automotive industry components employ two types of mechanical tests: beam load (break strength) test per AEC-Q200-003 and board flex test per AEC-Q200-005. A recent military specification for thin dielectric capacitors, MIL-PRF-32535, has one mechanical test, board flex testing, that is similar to AEC-Q200-005. The purpose of this report was assessment of the efficiency of different mechanical tests for selection robust capacitors and comparison of mechanical characteristics of Base Metal Electrode (BME) and Precious Metal Electrode (PME) capacitors. The report has three parts related to the first three mechanical tests mentioned above.

Equilibrium statistical mechanics

CERN Document Server

Jackson, E Atlee

2000-01-01

Ideal as an elementary introduction to equilibrium statistical mechanics, this volume covers both classical and quantum methodology for open and closed systems. Introductory chapters familiarize readers with probability and microscopic models of systems, while additional chapters describe the general derivation of the fundamental statistical mechanics relationships. The final chapter contains 16 sections, each dealing with a different application, ordered according to complexity, from classical through degenerate quantum statistical mechanics. Key features include an elementary introduction t

The equivalence principle in classical mechanics and quantum mechanics

OpenAIRE

Mannheim, Philip D.

1998-01-01

We discuss our understanding of the equivalence principle in both classical mechanics and quantum mechanics. We show that not only does the equivalence principle hold for the trajectories of quantum particles in a background gravitational field, but also that it is only because of this that the equivalence principle is even to be expected to hold for classical particles at all.

Development of Advanced Continuum Models that Incorporate Nanomechanical Deformation into Engineering Analysis.

Energy Technology Data Exchange (ETDEWEB)

Zimmerman, Jonathan A.; Jones, Reese E.; Templeton, Jeremy Alan; McDowell, David L.; Mayeur, Jason R.; Tucker, Garritt J.; Bammann, Douglas J.; Gao, Huajian

2008-09-01

Materials with characteristic structures at nanoscale sizes exhibit significantly different mechani-cal responses from those predicted by conventional, macroscopic continuum theory. For example,nanocrystalline metals display an inverse Hall-Petch effect whereby the strength of the materialdecreases with decreasing grain size. The origin of this effect is believed to be a change in defor-mation mechanisms from dislocation motion across grains and pileup at grain boundaries at mi-croscopic grain sizes to rotation of grains and deformation within grain boundary interface regionsfor nanostructured materials. These rotational defects are represented by the mathematical conceptof disclinations. The ability to capture these effects within continuum theory, thereby connectingnanoscale materials phenomena and macroscale behavior, has eluded the research community.The goal of our project was to develop a consistent theory to model both the evolution ofdisclinations and their kinetics. Additionally, we sought to develop approaches to extract contin-uum mechanical information from nanoscale structure to verify any developed continuum theorythat includes dislocation and disclination behavior. These approaches yield engineering-scale ex-pressions to quantify elastic and inelastic deformation in all varieties of materials, even those thatpossess highly directional bonding within their molecular structures such as liquid crystals, cova-lent ceramics, polymers and biological materials. This level of accuracy is critical for engineeringdesign and thermo-mechanical analysis is performed in micro- and nanosystems. The researchproposed here innovates on how these nanoscale deformation mechanisms should be incorporatedinto a continuum mechanical formulation, and provides the foundation upon which to develop ameans for predicting the performance of advanced engineering materials.4 AcknowledgmentThe authors acknowledge helpful discussions with Farid F. Abraham, Youping Chen, Terry J

An ultra-cold neutron source at the MLNSC

International Nuclear Information System (INIS)

Bowles, T.J.; Brun, T.; Hill, R.; Morris, C.; Seestrom, S.J.; Crow, L.; Serebrov, A.

1998-01-01

This is the final report of a three-year, Laboratory Directed Research and Development (LDRD) project at the Los Alamos National Laboratory (LANL). The authors have carried out the research and development of an Ultra-Cold Neutron (UCN) source at the Manuel Lujan Neutron Scattering Center (MLNSC). A first generation source was constructed to test the feasibility of a rotor source. The source performed well with an UCN production rate reasonably consistent with that expected. This source can now provide the basis for further development work directed at using UCN in fundamental physics research as well as possible applications in materials science

Development of a gamma ray spectroscopy capability at LANSCE

International Nuclear Information System (INIS)

Nelson, R.O.; Strottman, D.D.; Sterbenz, S.M.

1998-01-01

This is the final report of a one-year, Laboratory Directed Research and Development (LDRD) project at the Los Alamos National Laboratory (LANL). The goal of this project was to explore an upgrade to the GEANIE high-resolution gamma-ray spectrometer at the Los Alamos Neutron Science Center (LANSCE) to help build additional experimental capabilities. The improvements identified have significantly added to the capabilities of GEANIE and made the facility more attractive for studies supporting the core national security mission as well as for use by outside collaborators. These benefits apply to both basic and applied studies

Geometry in the large and hyperbolic chaos

Energy Technology Data Exchange (ETDEWEB)

Hasslacher, B.; Mainieri, R.

1998-11-01

This is the final report of a three-year, Laboratory Directed Research and Development (LDRD) project at the Los Alamos National Laboratory (LANL). The authors calculated observables in strongly chaotic systems. This is difficult to do because of a lack of a workable orbit classification for such systems. This is due to global geometrical information from the original dynamical system being entangled in an unknown way throughout the orbit sequence. They used geometrical methods from modern mathematics and recent connections between global geometry and modern quantum field theory to study the natural geometrical objects belonging to hard chaos-hyperbolic manifolds.

An ultra-cold neutron source at the MLNSC

Energy Technology Data Exchange (ETDEWEB)

Bowles, T.J.; Brun, T.; Hill, R.; Morris, C.; Seestrom, S.J. [Los Alamos National Lab., NM (United States); Crow, L. [Univ. of Rhode Island, Kingston, RI (United States); Serebrov, A. [Petersburg Nuclear Physics Inst. (Russian Federation)

1998-11-01

This is the final report of a three-year, Laboratory Directed Research and Development (LDRD) project at the Los Alamos National Laboratory (LANL). The authors have carried out the research and development of an Ultra-Cold Neutron (UCN) source at the Manuel Lujan Neutron Scattering Center (MLNSC). A first generation source was constructed to test the feasibility of a rotor source. The source performed well with an UCN production rate reasonably consistent with that expected. This source can now provide the basis for further development work directed at using UCN in fundamental physics research as well as possible applications in materials science.

Advanced techniques for the analysis of crisis stability, deterrence, and latency

Energy Technology Data Exchange (ETDEWEB)

Canavan, G.H.

1998-12-31

This is the final report of a one-year, Laboratory Directed Research and Development (LDRD) project at Los Alamos National Laboratory (LANL). The principal results of studies on crisis stability, deterrence, and latency are presented in their order of development. They capture the main features of stability analysis; relate first strike, crisis, and arms control stability as seen from US and Russian perspective; and address whether different metrics, uncertain damage preferences, or the deployment of defenses can be destabilizing. The report explores differences between unilateral and proportional force reductions in the region of deep reductions where concern shifts from stability to latency.

Science, technology and engineering at LANL

Energy Technology Data Exchange (ETDEWEB)

Mercer-smith, Janet A [Los Alamos National Laboratory; Wallace, Terry C [Los Alamos National Laboratory

2011-01-06

The Laboratory provides science solution to the mission areas of nuclear deterrence, global security, and energy security. The capabilities support the Laboratory's vision as the premier national security science laboratory. The strength of LANL's science is at the core of the Laboratory. The Laboratory addresses important science questions for stockpile stewardship, emerging threats, and energy. The underpinning science vitality to support mission areas is supported through the Post Doc program, the fundamental science program in LDRD, collaborations fostered through the Institutes, and the LANL user facilities. LANL fosters the strategy of Science that Matters through investments, people, and facilities.

Development of a portable preconcentrator/ion mobility spectrometer system for the trace detection of narcotics

Energy Technology Data Exchange (ETDEWEB)

Parmeter, J.E.; Custer, C.A.

1997-08-01

This project was supported by LDRD funding for the development and preliminary testing of a portable narcotics detection system. The system developed combines a commercial trace detector known as an ion mobility spectrometer (IMS) with a preconcentrator originally designed by Department 5848 for the collection of explosives molecules. The detector and preconcentrator were combined along with all necessary accessories onto a push cart, thus yielding a fully portable detection unit. Preliminary testing with both explosives and narcotics molecules shown that the system is operational, and that it can successfully detect drugs as marijuana, methamphetamine (speed), and cocaine based on their characteristics IMS signatures.

On obtaining classical mechanics from quantum mechanics

International Nuclear Information System (INIS)

Date, Ghanashyam

2007-01-01

Constructing a classical mechanical system associated with a given quantum-mechanical one entails construction of a classical phase space and a corresponding Hamiltonian function from the available quantum structures and a notion of coarser observations. The Hilbert space of any quantum-mechanical system naturally has the structure of an infinite-dimensional symplectic manifold ('quantum phase space'). There is also a systematic, quotienting procedure which imparts a bundle structure to the quantum phase space and extracts a classical phase space as the base space. This works straightforwardly when the Hilbert space carries weakly continuous representation of the Heisenberg group and one recovers the linear classical phase space R 2N . We report on how the procedure also allows extraction of nonlinear classical phase spaces and illustrate it for Hilbert spaces being finite dimensional (spin-j systems), infinite dimensional but separable (particle on a circle) and infinite dimensional but non-separable (polymer quantization). To construct a corresponding classical dynamics, one needs to choose a suitable section and identify an effective Hamiltonian. The effective dynamics mirrors the quantum dynamics provided the section satisfies conditions of semiclassicality and tangentiality

Final report for LDRD Project 93633 : new hash function for data protection.

Energy Technology Data Exchange (ETDEWEB)

Draelos, Timothy John; Dautenhahn, Nathan; Schroeppel, Richard Crabtree; Tolk, Keith Michael; Orman, Hilarie (PurpleStreak, Inc.); Walker, Andrea Mae; Malone, Sean; Lee, Eric; Neumann, William Douglas; Cordwell, William R.; Torgerson, Mark Dolan; Anderson, Eric; Lanzone, Andrew J.; Collins, Michael Joseph; McDonald, Timothy Scott; Caskey, Susan Adele

2009-03-01

The security of the widely-used cryptographic hash function SHA1 has been impugned. We have developed two replacement hash functions. The first, SHA1X, is a drop-in replacement for SHA1. The second, SANDstorm, has been submitted as a candidate to the NIST-sponsored SHA3 Hash Function competition.

LDRD final report on microencapsulated immunoreagents for development of one-step ELISA

Energy Technology Data Exchange (ETDEWEB)

Henderson, C.C.; Singh, A.K.

1997-08-01

Microencapsulation of biological macromolecules was investigated as a method for incorporating the necessary immunoreagents into an improved enzyme-linked immunosorbant assay (ELISA) package that would self-develop. This self-contained ELISA package would eliminate the need for a trained technician to perform multiple additions of immunoreagent to the assay. Microencapsulation by insolution drying was selected from the many available microencapsulation methods, and two satisfactory procedures for microencapsulation of proteins were established. The stability and potential for rapid release of protein from these microencapsulates was then evaluated. The results suggest that the chosen method for protein entrapment produces microcapsules with a considerable amount of protein in the walls making these particular microcapsules unsuitable for their intended use.

New Capabilities for Hostile Environments on Z Grand Challenge LDRD - Final Status

Energy Technology Data Exchange (ETDEWEB)

Cuneo, Michael E. [Sandia National Lab. (SNL-CA), Livermore, CA (United States); Griffin, P. J. [Sandia National Lab. (SNL-CA), Livermore, CA (United States); Balch, D. K. [Sandia National Lab. (SNL-CA), Livermore, CA (United States); Bell, K. S. [Sandia National Lab. (SNL-CA), Livermore, CA (United States); Bierner, J. A. [Sandia National Lab. (SNL-CA), Livermore, CA (United States); Coverdale, C. A. [Sandia National Lab. (SNL-CA), Livermore, CA (United States); Flanagan, T. M. [Sandia National Lab. (SNL-CA), Livermore, CA (United States); Hansen, S. B. [Sandia National Lab. (SNL-CA), Livermore, CA (United States); Slaboszewicz, V. Harper- [Sandia National Lab. (SNL-CA), Livermore, CA (United States); Jones, B. M. [Sandia National Lab. (SNL-CA), Livermore, CA (United States); Lamppa, D. C. [Sandia National Lab. (SNL-CA), Livermore, CA (United States); Martin, W. J. [Sandia National Lab. (SNL-CA), Livermore, CA (United States); McKenney, J. [Sandia National Lab. (SNL-CA), Livermore, CA (United States); Moore, N. W. [Sandia National Lab. (SNL-CA), Livermore, CA (United States); Parma, E. J. [Sandia National Lab. (SNL-CA), Livermore, CA (United States); Peebles, H. C. [Sandia National Lab. (SNL-CA), Livermore, CA (United States); Rovang, D. C. [Sandia National Lab. (SNL-CA), Livermore, CA (United States); Savage, M. E. [Sandia National Lab. (SNL-CA), Livermore, CA (United States); Tang, R. [Sandia National Lab. (SNL-CA), Livermore, CA (United States); Vesey, R. A. [Sandia National Lab. (SNL-CA), Livermore, CA (United States)

2016-10-01

The purpose of this project was to develop new physical simulation capabilities in order to support the science-based qualification of nonnuclear weapon components in hostile radiation environments. The project contributes directly to the goals of maintaining a safe, secure, and effective US nuclear stockpile, maintaining strategic deterrence at lower nuclear force levels, extending the life of the nuclear deterrent capability, and to be ready for technological surprise.

LDRD final report on confinement of cluster fusion plasmas with magnetic fields.

Energy Technology Data Exchange (ETDEWEB)

Argo, Jeffrey W.; Kellogg, Jeffrey W.; Headley, Daniel Ignacio; Stoltzfus, Brian Scott; Waugh, Caleb J.; Lewis, Sean M.; Porter, John Larry, Jr.; Wisher, Matthew; Struve, Kenneth William; Savage, Mark Edward; Quevedo, Hernan J.; Bengtson, Roger

2011-11-01

Two versions of a current driver for single-turn, single-use 1-cm diameter magnetic field coils have been built and tested at the Sandia National Laboratories for use with cluster fusion experiments at the University of Texas in Austin. These coils are used to provide axial magnetic fields to slow radial loss of electrons from laser-produced deuterium plasmas. Typical peak field strength achievable for the two-capacitor system is 50 T, and 200 T for the ten-capacitor system. Current rise time for both systems is about 1.7 {mu}s, with peak current of 500 kA and 2 MA, respectively. Because the coil must be brought to the laser, the driver needs to be portable and drive currents in vacuum. The drivers are complete but laser-plasma experiments are still in progress. Therefore, in this report, we focus on system design, initial tests, and performance characteristics of the two-capacitor and ten-capacitors systems. The questions of whether a 200 T magnetic field can retard the breakup of a cluster-fusion plasma, and whether this field can enhance neutron production have not yet been answered. However, tools have been developed that will enable producing the magnetic fields needed to answer these questions. These are a two-capacitor, 400-kA system that was delivered to the University of Texas in 2010, and a 2-MA ten-capacitor system delivered this year. The first system allowed initial testing, and the second system will be able to produce the 200 T magnetic fields needed for cluster fusion experiments with a petawatt laser. The prototype 400-kA magnetic field driver system was designed and built to test the design concept for the system, and to verify that a portable driver system could be built that delivers current to a magnetic field coil in vacuum. This system was built copying a design from a fixed-facility, high-field machine at LANL, but made to be portable and to use a Z-machine-like vacuum insulator and vacuum transmission line. This system was sent to the University of Texas in Austin where magnetic fields up to 50 T have been produced in vacuum. Peak charge voltage and current for this system have been 100 kV and 490 kA. It was used this last year to verify injection of deuterium and surrogate clusters into these small, single-turn coils without shorting the coil. Initial test confirmed the need to insulate the inner surface of the coil, which requires that the clusters must be injected through small holes in an insulator. Tests with a low power laser confirmed that it is possible to inject clusters into the magnetic field coils through these holes without destroying the clusters. The university team also learned the necessity of maintaining good vacuum to avoid insulator, transmission line, and coil shorting. A 200-T, 2 MA system was also constructed using the experience from the first design to make the pulsed-power system more robust. This machine is a copy of the prototype design, but with ten 100-kV capacitors versus the two used in the prototype. It has additional inductance in the switch/capacitor unit to avoid breakdown seen in the prototype design. It also has slightly more inductance at the cable connection to the vacuum chamber. With this design we have been able to demonstrate 1 MA current into a 1 cm diameter coil with the vacuum chamber at air pressure. Circuit code simulations, including the additional inductance with the new design, agree well with the measured current at a charge voltage of 40 kV with a short circuit load, and at 50 kV with a coil. The code also predicts that with a charge voltage of 97 kV we will be able to get 2 MA into a 1 cm diameter coil, which will be sufficient for 200 T fields. Smaller diameter or multiple-turn coils will be able to achieve even higher fields, or be able to achieve 200-T fields with lower charge voltage. Work is now proceeding at the university under separate funding to verify operation at the 2-MA level, and to address issues of debris mitigation, measurement of the magnetic field, and operation in vacuum. We anticipate operation at full current with single-turn, magnetic field coils this fall, with 200 T experiments on the Texas Petawatt laser in the spring of 2012.

Electromagnetic Extended Finite Elements for High-Fidelity Multimaterial Problems LDRD Final Report

Energy Technology Data Exchange (ETDEWEB)

Siefert, Christopher [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Bochev, Pavel Blagoveston [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Kramer, Richard Michael Jack [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Voth, Thomas Eugene [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Cox, James [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)

2014-09-01

Surface effects are critical to the accurate simulation of electromagnetics (EM) as current tends to concentrate near material surfaces. Sandia EM applications, which include exploding bridge wires for detonator design, electromagnetic launch of flyer plates for material testing and gun design, lightning blast-through for weapon safety, electromagnetic armor, and magnetic flux compression generators, all require accurate resolution of surface effects. These applications operate in a large deformation regime, where body-fitted meshes are impractical and multimaterial elements are the only feasible option. State-of-the-art methods use various mixture models to approximate the multi-physics of these elements. The empirical nature of these models can significantly compromise the accuracy of the simulation in this very important surface region. We propose to substantially improve the predictive capability of electromagnetic simulations by removing the need for empirical mixture models at material surfaces. We do this by developing an eXtended Finite Element Method (XFEM) and an associated Conformal Decomposition Finite Element Method (CDFEM) which satisfy the physically required compatibility conditions at material interfaces. We demonstrate the effectiveness of these methods for diffusion and diffusion-like problems on node, edge and face elements in 2D and 3D. We also present preliminary work on h -hierarchical elements and remap algorithms.

Approaches for scalable modeling and emulation of cyber systems : LDRD final report.

Energy Technology Data Exchange (ETDEWEB)

Mayo, Jackson R.; Minnich, Ronald G.; Armstrong, Robert C.; Rudish, Don W.

2009-09-01

The goal of this research was to combine theoretical and computational approaches to better understand the potential emergent behaviors of large-scale cyber systems, such as networks of {approx} 10{sup 6} computers. The scale and sophistication of modern computer software, hardware, and deployed networked systems have significantly exceeded the computational research community's ability to understand, model, and predict current and future behaviors. This predictive understanding, however, is critical to the development of new approaches for proactively designing new systems or enhancing existing systems with robustness to current and future cyber threats, including distributed malware such as botnets. We have developed preliminary theoretical and modeling capabilities that can ultimately answer questions such as: How would we reboot the Internet if it were taken down? Can we change network protocols to make them more secure without disrupting existing Internet connectivity and traffic flow? We have begun to address these issues by developing new capabilities for understanding and modeling Internet systems at scale. Specifically, we have addressed the need for scalable network simulation by carrying out emulations of a network with {approx} 10{sup 6} virtualized operating system instances on a high-performance computing cluster - a 'virtual Internet'. We have also explored mappings between previously studied emergent behaviors of complex systems and their potential cyber counterparts. Our results provide foundational capabilities for further research toward understanding the effects of complexity in cyber systems, to allow anticipating and thwarting hackers.

Mechanical ventilator - infants

Science.gov (United States)

... this page: //medlineplus.gov/ency/article/007240.htm Mechanical ventilator - infants To use the sharing features on this page, please enable JavaScript. A mechanical ventilator is a machine that assists with breathing. ...

Supersymmetric classical mechanics

International Nuclear Information System (INIS)

Biswas, S.N.; Soni, S.K.

1986-01-01

The purpose of the paper is to construct a supersymmetric Lagrangian within the framework of classical mechanics which would be regarded as a candidate for passage to supersymmetric quantum mechanics. 5 refs. (author)

Biological Applications of Hybrid Quantum Mechanics/Molecular Mechanics Calculation

Directory of Open Access Journals (Sweden)

Jiyoung Kang

2012-01-01

Full Text Available Since in most cases biological macromolecular systems including solvent water molecules are remarkably large, the computational costs of performing ab initio calculations for the entire structures are prohibitive. Accordingly, QM calculations that are jointed with MM calculations are crucial to evaluate the long-range electrostatic interactions, which significantly affect the electronic structures of biological macromolecules. A UNIX-shell-based interface program connecting the quantum mechanics (QMs and molecular mechanics (MMs calculation engines, GAMESS and AMBER, was developed in our lab. The system was applied to a metalloenzyme, azurin, and PU.1-DNA complex; thereby, the significance of the environmental effects on the electronic structures of the site of interest was elucidated. Subsequently, hybrid QM/MM molecular dynamics (MD simulation using the calculation system was employed for investigation of mechanisms of hydrolysis (editing reaction in leucyl-tRNA synthetase complexed with the misaminoacylated tRNALeu, and a novel mechanism of the enzymatic reaction was revealed. Thus, our interface program can play a critical role as a powerful tool for state-of-the-art sophisticated hybrid ab initio QM/MM MD simulations of large systems, such as biological macromolecules.

Equilibrium statistical mechanics

CERN Document Server

Mayer, J E

1968-01-01

The International Encyclopedia of Physical Chemistry and Chemical Physics, Volume 1: Equilibrium Statistical Mechanics covers the fundamental principles and the development of theoretical aspects of equilibrium statistical mechanics. Statistical mechanical is the study of the connection between the macroscopic behavior of bulk matter and the microscopic properties of its constituent atoms and molecules. This book contains eight chapters, and begins with a presentation of the master equation used for the calculation of the fundamental thermodynamic functions. The succeeding chapters highlight t

Mechanical Material Engineering

International Nuclear Information System (INIS)

Kim, Mun Il

1993-01-01

This book introduced mechanical material with introduction, basic problems about metal ingredient of machine of metal and alloy, property of metal material mechanical metal material such as categorization of metal material and high tensile structure steel, mechanic design and steel material with three important points on using of steel materials, selection and directions machine structural steel, selection and directions of steel for tool, selection and instruction of special steel like stainless steel and spring steel, nonferrous metal materials and plastic.

HYDRAULIC SERVO CONTROL MECHANISM

Science.gov (United States)

Hussey, R.B.; Gottsche, M.J. Jr.

1963-09-17

A hydraulic servo control mechanism of compact construction and low fluid requirements is described. The mechanism consists of a main hydraulic piston, comprising the drive output, which is connected mechanically for feedback purposes to a servo control piston. A control sleeve having control slots for the system encloses the servo piston, which acts to cover or uncover the slots as a means of controlling the operation of the system. This operation permits only a small amount of fluid to regulate the operation of the mechanism, which, as a result, is compact and relatively light. This mechanism is particuiarly adaptable to the drive and control of control rods in nuclear reactors. (auth)

Design of mechanical joints

CERN Document Server

Blake, Alexander

2018-01-01

A cornerstone publication that covers the basic principles and practical considerations of design methodology for joints held by rivets, bolts, weld seams, and adhesive materials, Design of Mechanical Joints gives engineers the practical results and formulas they need for the preliminary design of mechanical joints, combining the essential topics of joint mechanics...strength of materials...and fracture control to provide a complete treatment of problems pertinent to the field of mechanical connections.

Mechanics and thermodynamics

CERN Document Server

Demtröder, Wolfgang

2017-01-01

This introduction to classical mechanics and thermodynamics provides an accessible and clear treatment of the fundamentals. Starting with particle mechanics and an early introduction to special relativity this textbooks enables the reader to understand the basics in mechanics. The text is written from the experimental physics point of view, giving numerous real life examples and applications of classical mechanics in technology. This highly motivating presentation deepens the knowledge in a very accessible way. The second part of the text gives a concise introduction to rotational motion, an expansion to rigid bodies, fluids and gases. Finally, an extensive chapter on thermodynamics and a short introduction to nonlinear dynamics with some instructive examples intensify the knowledge of more advanced topics. Numerous problems with detailed solutions are perfect for self study.

Quantum mechanics. An introduction

International Nuclear Information System (INIS)

Lesch, H.

2008-01-01

The following topics are dealt with: The way to quantum mechanics starting from thermal radiation and the stability of matter, Heisenberg's uncertainty relation, the impact of quantum mechanics on technology, the description of the big bang by means of quantum mechanics

Social mechanisms and social causation

OpenAIRE

Friedel Weinert

2014-01-01

The aim of this paper is to examine the notion of social mechanisms by comparison with the notions of evolutionary and physical mechanisms. It is argued that social mechanisms are based on trends, and not lawlike regularities, so that social mechanisms are different from mechanisms in the natural sciences. Taking as an example of social causation the abolition of the slave trade, this paper argues that social mechanisms should be incorporated in Weber’s wider ...

New mechanism of spiral wave initiation in a reaction-diffusion-mechanics system.

Science.gov (United States)

Weise, Louis D; Panfilov, Alexander V

2011-01-01

Spiral wave initiation in the heart muscle is a mechanism for the onset of dangerous cardiac arrhythmias. A standard protocol for spiral wave initiation is the application of a stimulus in the refractory tail of a propagating excitation wave, a region that we call the "classical vulnerable zone." Previous studies of vulnerability to spiral wave initiation did not take the influence of deformation into account, which has been shown to have a substantial effect on the excitation process of cardiomyocytes via the mechano-electrical feedback phenomenon. In this work we study the effect of deformation on the vulnerability of excitable media in a discrete reaction-diffusion-mechanics (dRDM) model. The dRDM model combines FitzHugh-Nagumo type equations for cardiac excitation with a discrete mechanical description of a finite-elastic isotropic material (Seth material) to model cardiac excitation-contraction coupling and stretch activated depolarizing current. We show that deformation alters the "classical," and forms a new vulnerable zone at longer coupling intervals. This mechanically caused vulnerable zone results in a new mechanism of spiral wave initiation, where unidirectional conduction block and rotation directions of the consequently initiated spiral waves are opposite compared to the mechanism of spiral wave initiation due to the "classical vulnerable zone." We show that this new mechanism of spiral wave initiation can naturally occur in situations that involve wave fronts with curvature, and discuss its relation to supernormal excitability of cardiac tissue. The concept of mechanically induced vulnerability may lead to a better understanding about the onset of dangerous heart arrhythmias via mechano-electrical feedback.

Quantum mechanics

CERN Document Server

Ghosh, P K

2014-01-01

Quantum mechanics, designed for advanced undergraduate and graduate students of physics, mathematics and chemistry, provides a concise yet self-contained introduction to the formal framework of quantum mechanics, its application to physical problems and the interpretation of the theory. Starting with a review of some of the necessary mathematics, the basic concepts are carefully developed in the text. After building a general formalism, detailed treatment of the standard material - the harmonic oscillator, the hydrogen atom, angular momentum theory, symmetry transformations, approximation methods, identical particle and many-particle systems, and scattering theory - is presented. The concluding chapter discusses the interpretation of quantum mechanics. Some of the important topics discussed in the book are the rigged Hilbert space, deformation quantization, path integrals, coherent states, geometric phases, decoherene, etc. This book is characterized by clarity and coherence of presentation.

Mechanical Restraint - Which Interventions Prevent Episodes of Mechanical Restraint? - A Systematic Review

DEFF Research Database (Denmark)

Bak, Jesper; Brandt-Christensen, Anne Mette; Sestoft, Dorte Maria

2012-01-01

PURPOSE:  To identify interventions preventing mechanical restraints. DESIGN AND METHODS:  Systematic review of international research papers dealing with mechanical restraint. The review combines qualitative and quantitative research in a new way, describing the quality of evidence and the effect...... of intervention. FINDINGS:  Implementation of cognitive milieu therapy, combined interventions, and patient-centered care were the three interventions most likely to reduce the number of mechanical restraints. PRACTICE IMPLICATIONS:  There is a lack of high-quality and effective intervention studies. This leaves...... patients and metal health professionals with uncertainty when choosing interventions in an attempt to prevent mechanical restraints....

Mechanical Properties of Organic Semiconductors for Stretchable, Highly Flexible, and Mechanically Robust Electronics.

Science.gov (United States)

Root, Samuel E; Savagatrup, Suchol; Printz, Adam D; Rodriquez, Daniel; Lipomi, Darren J

2017-05-10

Mechanical deformability underpins many of the advantages of organic semiconductors. The mechanical properties of these materials are, however, diverse, and the molecular characteristics that permit charge transport can render the materials stiff and brittle. This review is a comprehensive description of the molecular and morphological parameters that govern the mechanical properties of organic semiconductors. Particular attention is paid to ways in which mechanical deformability and electronic performance can coexist. The review begins with a discussion of flexible and stretchable devices of all types, and in particular the unique characteristics of organic semiconductors. It then discusses the mechanical properties most relevant to deformable devices. In particular, it describes how low modulus, good adhesion, and absolute extensibility prior to fracture enable robust performance, along with mechanical "imperceptibility" if worn on the skin. A description of techniques of metrology precedes a discussion of the mechanical properties of three classes of organic semiconductors: π-conjugated polymers, small molecules, and composites. The discussion of each class of materials focuses on molecular structure and how this structure (and postdeposition processing) influences the solid-state packing structure and thus the mechanical properties. The review concludes with applications of organic semiconductor devices in which every component is intrinsically stretchable or highly flexible.

Rod drive and latching mechanism

International Nuclear Information System (INIS)

Veronesi, L.; Sherwood, D.G.

1982-01-01

Hydraulic drive and latching mechanisms for driving reactivity control mechanisms in nuclear reactors are described. Preferably, the pressurized reactor coolant is utilized to raise the drive rod into contact with and to pivot the latching mechanism so as to allow the drive rod to pass the latching mechanism. The pressure in the housing may then be equalized which allows the drive rod to move downwardly into contact with the latching mechanism but to hold the shaft in a raised position with respect to the reactor core. Once again, the reactor coolant pressure may be utilized to raise the drive rod and thus pivot the latching mechanism so that the drive rod passes above the latching mechanism. Again, the mechanism pressure can be equalized which allows the drive rod to fall and pass by the latching mechanism so that the drive rod approaches the reactor core. (author)

1st National Mechanics Congress

CERN Document Server

Nieuwstadt, F

1990-01-01

The Department of Applied Mechanics of the Royal Institution of Engineers in the Netherlands (Koninklijk Instituut van Ingenieurs) organised on April 2-4, 1990 the first National Applied Mechanics Congress about the theme: "Integration of Theory and Applications in Applied Mechanics" The idea behind this initiative was to bring together the Applied Mechanics communities in The Netherlands and Belgium and to create an environment in which new developments in the field could be discussed and in which connections to other disciplines could be established. Among an extensive list of possible subjects the following were selected as congress topics: - non-linear material behaviour, - chaos, - mechatronics, - liquid-solid interactions, - mathematics and applied mechanics, - integration of Applied Mechanics and other disciplines. Applied Mechanics comprises both solid mechanics and fluid mechanics. These can be subdivided further into: rheology, plasticity, theory of plates and shells, theory of elasticity, multibody...

Mechanisms in environmental control

International Nuclear Information System (INIS)

Lindeneg, K.

1994-01-01

The theory of implementation provides methods for decentralization of decisions in societies. By using mechanisms (game forms) it is possible (in theory) to implement attractive states in different economic environments. As an example the market mechanisms can implement Pareto-efficient and individual rational allocations in an Arrow-Debreu economic environment without market failures. And even when there exists externalities the market mechanism sometime can be used if it is possible to make a market for the goods not allocated on a market already - examples are marketable emission permits, and deposit refund systems. But environmental problems can often be explained by the existence of other market failures (e.g. asymmetric information), and then the market mechanism do not work properly. And instead of using regulation or traditional economic instruments (subsidies, charges, fees, liability insurance, marketable emission permits, or deposit refund systems) to correct the problems caused by market failures, some other methods can be used to deal with these problems. This paper contains a survey of mechanisms that can be used in environmental control when the problems are caused by the existence of public goods, externalities, asymmetric information, and indivisible goods in the economy. By examples it will be demonstrated how the Clarke-Groves mechanism, the Cournot-Lindahl mechanism, and other mechanisms can be used to solve specific environmental problems. This is only theory and examples, but a recent field study have used the Cournot-Lindahl mechanism to solve the problem of lake liming in Sweden. So this subject may be of some interests for environmental policy in the future. (au) 23 refs

Noncanonical Hamiltonian mechanics

International Nuclear Information System (INIS)

Litteljohn, R.G.

1986-01-01

Noncanonical variables in Hamiltonian mechanics were first used by Lagrange in 1808. In spite of this, most work in Hamiltonian mechanics has been carried out in canonical variables, up to this day. One reason for this is that noncanonical coordinates are seldom needed for mechanical problems based on Lagrangians of the form L = T - V, where T is the kinetic energy and V is the potential energy. Of course, such Lagrangians arise naturally in celestial mechanics, and as a result they form the paradigms of nineteenth-century mechanics and have become enshrined in all the mechanics textbooks. Certain features of modern problems, however, lead to the use of noncanonical coordinates. Among these are issues of gauge invariance and singular Lagrange a Poisson structures. In addition, certain problems, like the flow of magnetic-field lines in physical space, are naturally formulated in terms of noncanonical coordinates. None of these features is present in the nineteenth-century paradigms of mechanics, but they do arise in problems involving particle motion in the presence of magnetic fields. For example, the motion of a particle in an electromagnetic wave is an important one in plasma physics, but the usual Hamiltonian formulation is gauge dependent. For this problem, noncanonical approaches based on Lagrangians in phase space lead to powerful computational techniques which are gauge invariant. In the limit of strong magnetic fields, particle motion becomes 'guiding-center motion'. Guiding-center motion is also best understood in terms of noncanonical coordinates. Finally the flow of magnetic-field lines through physical space is a Hamiltonian system which is best understood with noncanonical coordinates. No doubt many more systems will arise in the future for which these noncanonical techniques can be applied. (author)

Modern logic and quantum mechanics

International Nuclear Information System (INIS)

Garden, R.W.

1984-01-01

The book applies the methods of modern logic and probabilities to ''interpreting'' quantum mechanics. The subject is described and discussed under the chapter headings: classical and quantum mechanics, modern logic, the propositional logic of mechanics, states and measurement in mechanics, the traditional analysis of probabilities, the probabilities of mechanics and the model logic of predictions. (U.K.)

Methods of celestial mechanics

CERN Document Server

Brouwer, Dirk

2013-01-01

Methods of Celestial Mechanics provides a comprehensive background of celestial mechanics for practical applications. Celestial mechanics is the branch of astronomy that is devoted to the motions of celestial bodies. This book is composed of 17 chapters, and begins with the concept of elliptic motion and its expansion. The subsequent chapters are devoted to other aspects of celestial mechanics, including gravity, numerical integration of orbit, stellar aberration, lunar theory, and celestial coordinates. Considerable chapters explore the principles and application of various mathematical metho

Bistable Mechanisms for Space Applications.

Science.gov (United States)

Zirbel, Shannon A; Tolman, Kyler A; Trease, Brian P; Howell, Larry L

2016-01-01

Compliant bistable mechanisms are monolithic devices with two stable equilibrium positions separated by an unstable equilibrium position. They show promise in space applications as nonexplosive release mechanisms in deployment systems, thereby eliminating friction and improving the reliability and precision of those mechanical devices. This paper presents both analytical and numerical models that are used to predict bistable behavior and can be used to create bistable mechanisms in materials not previously feasible for compliant mechanisms. Materials compatible with space applications are evaluated for use as bistable mechanisms and prototypes are fabricated in three different materials. Pin-puller and cutter release mechanisms are proposed as potential space applications.

Rotary mechanical latch

Science.gov (United States)

Spletzer, Barry L.; Martinez, Michael A.; Marron, Lisa C.

2012-11-13

A rotary mechanical latch for positive latching and unlatching of a rotary device with a latchable rotating assembly having a latching gear that can be driven to latched and unlatched states by a drive mechanism such as an electric motor. A cam arm affixed to the latching gear interfaces with leading and trailing latch cams affixed to a flange within the drive mechanism. The interaction of the cam arm with leading and trailing latch cams prevents rotation of the rotating assembly by external forces such as those due to vibration or tampering.

Peridynamics as a rigorous coarse-graining of atomistics for multiscale materials design

International Nuclear Information System (INIS)

Lehoucq, Richard B.; Aidun, John Bahram; Silling, Stewart Andrew; Sears, Mark P.; Kamm, James R.; Parks, Michael L.

2010-01-01

This report summarizes activities undertaken during FY08-FY10 for the LDRD Peridynamics as a Rigorous Coarse-Graining of Atomistics for Multiscale Materials Design. The goal of our project was to develop a coarse-graining of finite temperature molecular dynamics (MD) that successfully transitions from statistical mechanics to continuum mechanics. The goal of our project is to develop a coarse-graining of finite temperature molecular dynamics (MD) that successfully transitions from statistical mechanics to continuum mechanics. Our coarse-graining overcomes the intrinsic limitation of coupling atomistics with classical continuum mechanics via the FEM (finite element method), SPH (smoothed particle hydrodynamics), or MPM (material point method); namely, that classical continuum mechanics assumes a local force interaction that is incompatible with the nonlocal force model of atomistic methods. Therefore FEM, SPH, and MPM inherit this limitation. This seemingly innocuous dichotomy has far reaching consequences; for example, classical continuum mechanics cannot resolve the short wavelength behavior associated with atomistics. Other consequences include spurious forces, invalid phonon dispersion relationships, and irreconcilable descriptions/treatments of temperature. We propose a statistically based coarse-graining of atomistics via peridynamics and so develop a first of a kind mesoscopic capability to enable consistent, thermodynamically sound, atomistic-to-continuum (AtC) multiscale material simulation. Peridynamics (PD) is a microcontinuum theory that assumes nonlocal forces for describing long-range material interaction. The force interactions occurring at finite distances are naturally accounted for in PD. Moreover, PDs nonlocal force model is entirely consistent with those used by atomistics methods, in stark contrast to classical continuum mechanics. Hence, PD can be employed for mesoscopic phenomena that are beyond the realms of classical continuum mechanics and

Environmental Compliance Mechanisms

NARCIS (Netherlands)

Merkouris, Panagiotis; Fitzmaurice, Malgosia

2017-01-01

Compliance mechanisms can be found in treaties regulating such diverse issues as human rights, disarmament law, and environmental law. In this bibliography, the focus will be on compliance mechanisms of multilateral environmental agreements (MEAs). Compliance with norms of international

Nonholonomic mechanics and control

CERN Document Server

Murray, RM

2015-01-01

This book explores some of the connections between control theory and geometric mechanics; that is, control theory is linked with a geometric view of classical mechanics in both its Lagrangian and Hamiltonian formulations and in particular with the theory of mechanical systems subject to motion constraints. The synthesis of the topic is appropriate as there is a particularly rich connection between mechanics and nonlinear control theory. The book provides a unified treatment of nonlinear control theory and constrained mechanical systems and illustrates the elegant mathematics behind many simple, interesting, and useful mechanical examples. It is intended for graduate students who wish to learn this subject and researchers in the area who want to enhance their techniques. The book contains sections focusing on physical examples and elementary terms, as well as theoretical sections that use sophisticated analysis and geometry. The first four chapters offer preliminaries and background information, while the...

New mechanism of spiral wave initiation in a reaction-diffusion-mechanics system.

Directory of Open Access Journals (Sweden)

Louis D Weise

Full Text Available Spiral wave initiation in the heart muscle is a mechanism for the onset of dangerous cardiac arrhythmias. A standard protocol for spiral wave initiation is the application of a stimulus in the refractory tail of a propagating excitation wave, a region that we call the "classical vulnerable zone." Previous studies of vulnerability to spiral wave initiation did not take the influence of deformation into account, which has been shown to have a substantial effect on the excitation process of cardiomyocytes via the mechano-electrical feedback phenomenon. In this work we study the effect of deformation on the vulnerability of excitable media in a discrete reaction-diffusion-mechanics (dRDM model. The dRDM model combines FitzHugh-Nagumo type equations for cardiac excitation with a discrete mechanical description of a finite-elastic isotropic material (Seth material to model cardiac excitation-contraction coupling and stretch activated depolarizing current. We show that deformation alters the "classical," and forms a new vulnerable zone at longer coupling intervals. This mechanically caused vulnerable zone results in a new mechanism of spiral wave initiation, where unidirectional conduction block and rotation directions of the consequently initiated spiral waves are opposite compared to the mechanism of spiral wave initiation due to the "classical vulnerable zone." We show that this new mechanism of spiral wave initiation can naturally occur in situations that involve wave fronts with curvature, and discuss its relation to supernormal excitability of cardiac tissue. The concept of mechanically induced vulnerability may lead to a better understanding about the onset of dangerous heart arrhythmias via mechano-electrical feedback.

Control mechanisms for ecological-economic systems

CERN Document Server

Burkov, Vladimir N; Shchepkin, Alexander V

2015-01-01

This monograph presents and analyzes the optimization, game-theoretic and simulation models of control mechanisms for ecological-economic systems. It is devoted to integrated assessment mechanisms for total risks and losses, penalty mechanisms, risk payment mechanisms, financing and costs compensation mechanisms for risk level reduction, sales mechanisms for risk level quotas, audit mechanisms, mechanisms for expected losses reduction, economic motivation mechanisms, optimization mechanisms for regional environmental (risk level reduction) programs, and mechanisms for authorities' interests coordination. The book is aiming at undergraduate and postgraduate students, as well as at experts in mathematical modeling and control of ecological economic, socioeconomic and organizational systems.

From fracture mechanics to damage mechanics: how to model structural deterioration

International Nuclear Information System (INIS)

Nicolet, S.; Lorentz, E.; Barbier, G.

1998-01-01

Modelling of structural deteriorations of thermo-mechanical origin is highly enhanced when using damage mechanics. Indeed, the latter offers both a fine description of the material behaviour and an ability to deal with any loading conditions, moving away the current limits of fracture mechanics. But new difficulties can arise, depending on the examined problem: if forecasts of rack initiation are well mastered, the study of crack propagation remains more complex and needs sophisticated modelizations, which are nevertheless on the point of being well understood too. (authors)

Analytical mechanics

CERN Document Server

Helrich, Carl S

2017-01-01

This advanced undergraduate textbook begins with the Lagrangian formulation of Analytical Mechanics and then passes directly to the Hamiltonian formulation and the canonical equations, with constraints incorporated through Lagrange multipliers. Hamilton's Principle and the canonical equations remain the basis of the remainder of the text. Topics considered for applications include small oscillations, motion in electric and magnetic fields, and rigid body dynamics. The Hamilton-Jacobi approach is developed with special attention to the canonical transformation in order to provide a smooth and logical transition into the study of complex and chaotic systems. Finally the text has a careful treatment of relativistic mechanics and the requirement of Lorentz invariance. The text is enriched with an outline of the history of mechanics, which particularly outlines the importance of the work of Euler, Lagrange, Hamilton and Jacobi. Numerous exercises with solutions support the exceptionally clear and concise treatment...

Experimental approach and micro-mechanical modeling of the mechanical behavior of irradiated zirconium alloys

International Nuclear Information System (INIS)

Onimus, F.

2003-12-01

Zirconium alloys cladding tubes containing nuclear fuel of the Pressurized Water Reactors constitute the first safety barrier against the dissemination of radioactive elements. Thus, it is essential to predict the mechanical behavior of the material in-reactor conditions. This study aims, on the one hand, to identify and characterize the mechanisms of the plastic deformation of irradiated zirconium alloys and, on the other hand, to propose a micro-mechanical modeling based on these mechanisms. The experimental analysis shows that, for the irradiated material, the plastic deformation occurs by dislocation channeling. For transverse tensile test and internal pressure test this channeling occurs in the basal planes. However, for axial tensile test, the study revealed that the plastic deformation also occurs by channeling but in the prismatic and pyramidal planes. In addition, the study of the macroscopic mechanical behavior, compared to the deformation mechanisms observed by TEM, suggested that the internal stress is higher in the case of irradiated material than in the case of non-irradiated material, because of the very heterogeneous character of the plastic deformation. This analysis led to a coherent interpretation of the mechanical behavior of irradiated materials, in terms of deformation mechanisms. The mechanical behavior of irradiated materials was finally modeled by applying homogenization methods for heterogeneous materials. This model is able to reproduce adequately the mechanical behavior of the irradiated material, in agreement with the TEM observations. (author)

Axiomatic electrodynamics and microscopic mechanics

International Nuclear Information System (INIS)

Yussouff, M.

1981-04-01

A new approach to theoretical physics, along with the basic formulation of a new MICROSCOPIC MECHANICS for the motion of small charged particles is described in this set of lecture notes. Starting with the classical (Newtonian) mechanics and classical fields, the important but well known properties of Classical Electromagnetic field are discussed up to section 4. The next nection describes the usual radiation damping theory and its difficulties. It is argued that the usual treatment of radiation damping is not valid for small space and time intervals and the true description of motion requires a new type of mechanics - the MICROSCOPIC MECHANICS: Section 6 and 7 are devoted to showing that not only the new microscopic mechanics goes over to Newtonian mechanics in the proper limit, but also it is closely connected with Quantum Mechanics. All the known results of the Schroedinger theory can be reproduced by microscopic mechanics which also gives a clear physical picture. It removes Einstein's famous objections against Quantum Theory and provides a clear distinction between classical and Quantum behavior. Seven Axioms (three on Classical Mechanics, two for Maxwell's theory, one for Relativity and a new Axiom on Radiation damping) are shown to combine Classical Mechanics, Maxwellian Electrodynamics, Relativity and Schroedinger's Quantum Theory within a single theoretical framework under Microscopic Mechanics which awaits further development at the present time. (orig.)

Multi-layer composite mechanical modeling for the inhomogeneous biofilm mechanical behavior.

Science.gov (United States)

Wang, Xiaoling; Han, Jingshi; Li, Kui; Wang, Guoqing; Hao, Mudong

2016-08-01

Experiments showed that bacterial biofilms are heterogeneous, for example, the density, the diffusion coefficient, and mechanical properties of the biofilm are different along the biofilm thickness. In this paper, we establish a multi-layer composite model to describe the biofilm mechanical inhomogeneity based on unified multiple-component cellular automaton (UMCCA) model. By using our model, we develop finite element simulation procedure for biofilm tension experiment. The failure limit and biofilm extension displacement obtained from our model agree well with experimental measurements. This method provides an alternative theory to study the mechanical inhomogeneity in biological materials.

Comments on microscopic mechanics, generalizations of classical mechanics and Planck's oscillators

International Nuclear Information System (INIS)

Yussouff, M.

1983-05-01

The new microscopic mechanics removes the dichotomy of physics into classical and quantum phenomena. Its physical picture and connections with generalizations of classical mechanics are discussed. It gives a new meaning to Bohr's frequency relation and Planck's oscillators. (author)

Mechanical stability of heat-treated nanoporous anodic alumina subjected to repetitive mechanical deformation

Science.gov (United States)

Bankova, A.; Videkov, V.; Tzaneva, B.; Mitov, M.

2018-03-01

We report studies on the mechanical response and deformation behavior of heat-treated nanoporous anodic alumina using a micro-balance test and experimental test equipment especially designed for this purpose. AAO samples were characterized mechanically by a three-point bending test using a micro-analytical balance. The deformation behavior was studied by repetitive mechanical bending of the AAO membranes using an electronically controlled system. The nanoporous AAO structures were prepared electrochemically from Al sheet substrates using a two-step anodizing technique in oxalic acid followed by heat treatment at 700 °C in air. The morphological study of the aluminum oxide layer after the mechanical tests and mechanical deformation was conducted using scanning electron and optical microscopy, respectively. The experimental results showed that the techniques proposed are simple and accurate; they could, therefore, be combined to constitute a method for mechanical stability assessment of nanostructured AAO films, which are important structural components in the design of MEMS devices and sensors.

Prediction of mechanical properties for hexagonal boron nitride nanosheets using molecular mechanics model

Energy Technology Data Exchange (ETDEWEB)

Natsuki, Toshiaki [Shinshu University, Faculty of Textile Science and Technology, Ueda (Japan); Shinshu University, Institute of Carbon Science and Technology, Nagano (Japan); Natsuki, Jun [Shinshu University, Institute of Carbon Science and Technology, Nagano (Japan)

2017-04-15

Mechanical behaviors of nanomaterials are not easy to be evaluated in the laboratory because of their extremely small size and difficulty controlling. Thus, a suitable model for the estimation of the mechanical properties for nanomaterials becomes very important. In this study, the elastic properties of boron nitride (BN) nanosheets, including the elastic modulus, the shear modulus, and the Poisson's ratio, are predicted using a molecular mechanics model. The molecular mechanics force filed is established to directly incorporate the Morse potential function into the constitutive model of nanostructures. According to the molecular mechanics model, the chirality effect of hexagonal BN nanosheets on the elastic modulus is investigated through a closed-form solution. The simulated result shows that BN nanosheets exhibit an isotropic elastic property. The present analysis yields a set of very simple formulas and is able to be served as a good approximation on the mechanical properties for the BN nanosheets. (orig.)

Prediction of mechanical properties for hexagonal boron nitride nanosheets using molecular mechanics model

International Nuclear Information System (INIS)

Natsuki, Toshiaki; Natsuki, Jun

2017-01-01

Mechanical behaviors of nanomaterials are not easy to be evaluated in the laboratory because of their extremely small size and difficulty controlling. Thus, a suitable model for the estimation of the mechanical properties for nanomaterials becomes very important. In this study, the elastic properties of boron nitride (BN) nanosheets, including the elastic modulus, the shear modulus, and the Poisson's ratio, are predicted using a molecular mechanics model. The molecular mechanics force filed is established to directly incorporate the Morse potential function into the constitutive model of nanostructures. According to the molecular mechanics model, the chirality effect of hexagonal BN nanosheets on the elastic modulus is investigated through a closed-form solution. The simulated result shows that BN nanosheets exhibit an isotropic elastic property. The present analysis yields a set of very simple formulas and is able to be served as a good approximation on the mechanical properties for the BN nanosheets. (orig.)

Reliability design of mechanical systems a guide for mechanical and civil engineers

CERN Document Server

Woo, Seongwoo

2017-01-01

This book describes basic reliability concepts – parametric ALT plan, failure mechanism and design, and reliability testing with acceleration factor and sample size equation. A generalized life-stress failure model with a new effort concept has been derived and recommended to calculate the acceleration factor of the mechanical system. The new sample size equation with the acceleration factor has also been derived to carry out the parametric ALT. This new parametric ALT should help a mechanical/civil engineer to uncover the design parameters affecting reliability during the design process of the mechanical system. Consequently, it should help companies to improve product reliability and avoid recalls due to the product/structure failures in the field. As the improper or missing design parameters in the design phase are experimentally identified by this new reliability design method - parametric ALT, the mechanical/civil engineering system might improve in reliability by the increase in lifetime and the reduc...

Chemical kinetics and reaction mechanism

International Nuclear Information System (INIS)

Jung, Ou Sik; Park, Youn Yeol

1996-12-01

This book is about chemical kinetics and reaction mechanism. It consists of eleven chapters, which deal with reaction and reaction speed on reaction mechanism, simple reaction by rate expression, reversible reaction and simultaneous reaction, successive reaction, complicated reaction mechanism, assumption for reaction mechanism, transition state theory, successive reaction and oscillating reaction, reaction by solution, research method high except kinetics on reaction mechanism, high reaction of kinetics like pulsed radiolysis.

Macro-mechanics controls quantum mechanics: mechanically controllable quantum conductance switching of an electrochemically fabricated atomic-scale point contact

Science.gov (United States)

Staiger, Torben; Wertz, Florian; Xie, Fangqing; Heinze, Marcel; Schmieder, Philipp; Lutzweiler, Christian; Schimmel, Thomas

2018-01-01

Here, we present a silver atomic-scale device fabricated and operated by a combined technique of electrochemical control (EC) and mechanically controllable break junction (MCBJ). With this EC-MCBJ technique, we can perform mechanically controllable bistable quantum conductance switching of a silver quantum point contact (QPC) in an electrochemical environment at room temperature. Furthermore, the silver QPC of the device can be controlled both mechanically and electrochemically, and the operating mode can be changed from ‘electrochemical’ to ‘mechanical’, which expands the operating mode for controlling QPCs. These experimental results offer the perspective that a silver QPC may be used as a contact for a nanoelectromechanical relay.

Soil Mechanics

OpenAIRE

Verruijt, A.

2010-01-01

This book is the text for the introductory course of Soil Mechanics in the Department of Civil Engineering of the Delft University of Technology, as I have given from 1980 until my retirement in 2002. It contains an introduction into the major principles and methods of soil mechanics, such as the analysis of stresses, deformations, and stability. The most important methods of determining soil parameters, in the laboratory and in situ, are also described. Some basic principles of applied mecha...

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

Principles of discrete time mechanics

CERN Document Server

Jaroszkiewicz, George

2014-01-01

Could time be discrete on some unimaginably small scale? Exploring the idea in depth, this unique introduction to discrete time mechanics systematically builds the theory up from scratch, beginning with the historical, physical and mathematical background to the chronon hypothesis. Covering classical and quantum discrete time mechanics, this book presents all the tools needed to formulate and develop applications of discrete time mechanics in a number of areas, including spreadsheet mechanics, classical and quantum register mechanics, and classical and quantum mechanics and field theories. A consistent emphasis on contextuality and the observer-system relationship is maintained throughout.

Stochastic mechanics and quantum theory

International Nuclear Information System (INIS)

Goldstein, S.

1987-01-01

Stochastic mechanics may be regarded as both generalizing classical mechanics to processes with intrinsic randomness, as well as providing the sort of detailed description of microscopic events declared impossible under the traditional interpretation of quantum mechanics. It avoids the many conceptual difficulties which arise from the assumption that quantum mechanics, i.e., the wave function, provides a complete description of (microscopic) physical reality. Stochastic mechanics presents a unified treatment of the microscopic and macroscopic domains, in which the process of measurement plays no special physical role and which reduces to Newtonian mechanics in the macroscopic limit

Theoretical physics. Quantum mechanics

International Nuclear Information System (INIS)

Rebhan, Eckhard

2008-01-01

From the first in two comprehensive volumes appeared Theoretical Physics of the author by this after Mechanics and Electrodynamics also Quantum mechanics appears as thinner single volume. First the illustrative approach via wave mechanics is reproduced. The more abstract Hilbert-space formulation introduces the author later by postulates, which are because of the preceding wave mechanics sufficiently plausible. All concepts of quantum mechanics, which contradict often to the intuitive understanding formed by macroscopic experiences, are extensively discussed and made by means of many examples as well as problems - in the largest part provided with solutions - understandable. To the interpretation of quantum mechanics an extensive special chapter is dedicated. this book arose from courses on theoretical physics, which the author has held at the Heinrich-Heine University in Duesseldorf, and was in numerous repetitions fitted to the requirement of the studyings. it is so designed that it is also after the study suited as reference book or for the renewing. All problems are very thoroughly and such extensively studied that each step is separately reproducible. About motivation and good understandability is cared much

The correspondence between stochastic mechanics and quantum mechanics on multiply connected configuration spaces

International Nuclear Information System (INIS)

Carlen, E.A.; Loffredo, M.I.

1989-01-01

We show how to obtain a complete correspondence between stochastic and quantum mechanics on multiply connected spaces. We do this by introducing a stochastic mechanical analog of the hydrodynamical circulation, relating it to the topological properties of the configuration space, and using it to constrain the stochastic mechanical variational principles. (orig.)

Quantum mechanics symmetries

CERN Document Server

Greiner, Walter

1989-01-01

"Quantum Dynamics" is a major survey of quantum theory based on Walter Greiner's long-running and highly successful courses at the University of Frankfurt. The key to understanding in quantum theory is to reinforce lecture attendance and textual study by working through plenty of representative and detailed examples. Firm belief in this principle led Greiner to develop his unique course and to transform it into a remarkable and comprehensive text. The text features a large number of examples and exercises involving many of the most advanced topics in quantum theory. These examples give practical and precise demonstrations of how to use the often subtle mathematics behind quantum theory. The text is divided into five volumes: Quantum Mechanics I - An Introduction, Quantum Mechanics II - Symmetries, Relativistic Quantum Mechanics, Quantum Electrodynamics, Gauge Theory of Weak Interactions. These five volumes take the reader from the fundamental postulates of quantum mechanics up to the latest research in partic...

Variable mechanical ventilation.

Science.gov (United States)

Fontela, Paula Caitano; Prestes, Renata Bernardy; Forgiarini, Luiz Alberto; Friedman, Gilberto

2017-01-01

To review the literature on the use of variable mechanical ventilation and the main outcomes of this technique. Search, selection, and analysis of all original articles on variable ventilation, without restriction on the period of publication and language, available in the electronic databases LILACS, MEDLINE®, and PubMed, by searching the terms "variable ventilation" OR "noisy ventilation" OR "biologically variable ventilation". A total of 36 studies were selected. Of these, 24 were original studies, including 21 experimental studies and three clinical studies. Several experimental studies reported the beneficial effects of distinct variable ventilation strategies on lung function using different models of lung injury and healthy lungs. Variable ventilation seems to be a viable strategy for improving gas exchange and respiratory mechanics and preventing lung injury associated with mechanical ventilation. However, further clinical studies are necessary to assess the potential of variable ventilation strategies for the clinical improvement of patients undergoing mechanical ventilation.

New Physical Mechanism for Lightning

Science.gov (United States)

Artekha, Sergey N.; Belyan, Andrey V.

2018-02-01

The article is devoted to electromagnetic phenomena in the atmosphere. The set of experimental data on the thunderstorm activity is analyzed. It helps to identify a possible physical mechanism of lightning flashes. This mechanism can involve the formation of metallic bonds in thunderclouds. The analysis of the problem is performed at a microphysical level within the framework of quantum mechanics. The mechanism of appearance of metallic conductivity includes the resonant tunneling of electrons along resonance-percolation trajectories. Such bonds allow the charges from the vast cloud charged subsystems concentrate quickly in lightning channel. The formation of metal bonds in the thunderstorm cloudiness is described as the second-order phase transition. A successive mechanism for the process of formation and development of the lightning channel is suggested. This mechanism is associated with the change in the orientation of crystals in growing electric field. Possible consequences of the quantum-mechanical mechanism under discussion are compared with the results of observations.

GPU-Accelerated Large-Scale Electronic Structure Theory on Titan with a First-Principles All-Electron Code

Science.gov (United States)

Huhn, William Paul; Lange, Björn; Yu, Victor; Blum, Volker; Lee, Seyong; Yoon, Mina

Density-functional theory has been well established as the dominant quantum-mechanical computational method in the materials community. Large accurate simulations become very challenging on small to mid-scale computers and require high-performance compute platforms to succeed. GPU acceleration is one promising approach. In this talk, we present a first implementation of all-electron density-functional theory in the FHI-aims code for massively parallel GPU-based platforms. Special attention is paid to the update of the density and to the integration of the Hamiltonian and overlap matrices, realized in a domain decomposition scheme on non-uniform grids. The initial implementation scales well across nodes on ORNL's Titan Cray XK7 supercomputer (8 to 64 nodes, 16 MPI ranks/node) and shows an overall speed up in runtime due to utilization of the K20X Tesla GPUs on each Titan node of 1.4x, with the charge density update showing a speed up of 2x. Further acceleration opportunities will be discussed. Work supported by the LDRD Program of ORNL managed by UT-Battle, LLC, for the U.S. DOE and by the Oak Ridge Leadership Computing Facility, which is a DOE Office of Science User Facility supported under Contract DE-AC05-00OR22725.

Prediction of scaling physics laws for proton acceleration with extended parameter space of the NIF ARC

Science.gov (United States)

Bhutwala, Krish; Beg, Farhat; Mariscal, Derek; Wilks, Scott; Ma, Tammy

2017-10-01

The Advanced Radiographic Capability (ARC) laser at the National Ignition Facility (NIF) at Lawrence Livermore National Laboratory is the world's most energetic short-pulse laser. It comprises four beamlets, each of substantial energy ( 1.5 kJ), extended short-pulse duration (10-30 ps), and large focal spot (>=50% of energy in 150 µm spot). This allows ARC to achieve proton and light ion acceleration via the Target Normal Sheath Acceleration (TNSA) mechanism, but it is yet unknown how proton beam characteristics scale with ARC-regime laser parameters. As theory has also not yet been validated for laser-generated protons at ARC-regime laser parameters, we attempt to formulate the scaling physics of proton beam characteristics as a function of laser energy, intensity, focal spot size, pulse length, target geometry, etc. through a review of relevant proton acceleration experiments from laser facilities across the world. These predicted scaling laws should then guide target design and future diagnostics for desired proton beam experiments on the NIF ARC. This work performed under the auspices of the U.S. Department of Energy by Lawrence Livermore National Laboratory under Contract DE-AC52-07NA27344 and funded by the LLNL LDRD program under tracking code 17-ERD-039.

p-Adic quantum mechanics

International Nuclear Information System (INIS)

Vladimirov, V.S.; Volovich, I.V.

1988-01-01

Quantum mechanics above the field of p-adic numbers is constructed. Three formulations of p-adic quantum mechanics are considered: 1) quantum mechanics with complex-valued wave functions and p-adic coordinates and pulses; an approach based on Weyl representation is suggested; 2) the probability (Euclidean) formulation; 3) the secondary quantization representation (Fock representation) with p-adic wave functions

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.

Mechanical properties of copper-lithium alloys produced by mechanic alloyed and hot extrusion

International Nuclear Information System (INIS)

Castillo B, Ricardo; Gorziglia S, Ezio; Penaloza V, Augusto

2004-01-01

In this work are presented the progress carried out on the characterization of some physical and mechanical properties, together with the determination of the micro mechanism of fracture of the Cu-2% wt Li, that was obtained by mechanical alloying followed hot extrusion at 500 o C and 700 o C. Hardness and tensile mechanical tests were performed together with metallographic and fractographic analysis. The experimental results obtained with powders of the Cu-Li alloy studied are compared with powder of pure copper, under similar test conditions. The results show that by hot extrusion was allowed to obtain very high densification levels for the materials under study. Moreover, it was found that lithium reduce both the tensile strength and elongation, of copper by a mechanism of embrittlement. The results are compares with the literature (au)

Transient thermal-mechanical coupling behavior analysis of mechanical seals during start-up operation

Science.gov (United States)

Gao, B. C.; Meng, X. K.; Shen, M. X.; Peng, X. D.

2016-05-01

A transient thermal-mechanical coupling model for a contacting mechanical seal during start-up has been developed. It takes into consideration the coupling relationship among thermal-mechanical deformation, film thickness, temperature and heat generation. The finite element method and multi-iteration technology are applied to solve the temperature distribution and thermal-mechanical deformation as well as their evolution behavior. Results show that the seal gap transforms from negative coning to positive coning and the contact area of the mechanical seal gradually decreases during start-up. The location of the maximum temperature and maximum contact pressure move from the outer diameter to inside diameter. The heat generation and the friction torque increase sharply at first and then decrease. Meanwhile, the contact force decreases and the fluid film force and leakage rate increase.

Mechanical spectral shift reactor

International Nuclear Information System (INIS)

Sherwood, D.G.; Wilson, J.F.; Salton, R.B.; Fensterer, H.F.

1982-01-01

A mechanical spectral shift reactor comprises apparatus for inserting and withdrawing water displacer elements from the reactor core for selectively changing the water-moderator volume in the core thereby changing the reactivity of the core. The apparatus includes drive mechanisms for moving the displacer elements relative to the core and guide mechanisms for guiding the displacer rods through the reactor vessel. (author)

Game mechanics : advanced game design

NARCIS (Netherlands)

Adams, Ernest; Dormans, Joris

2012-01-01

Game Mechanics is aimed at game design students and industry professionals who want to improve their understanding of how to design, build, and test the mechanics of a game. Game Mechanics will show you how to design, test, and tune the core mechanics of a game—any game, from a huge role-playing

Theoretical physics 2 analytical mechanics

CERN Document Server

Nolting, Wolfgang

2016-01-01

This textbook offers a clear and comprehensive introduction to analytical mechanics, one of the core components of undergraduate physics courses.It follows on naturally from the previous volumes in this series, thus expanding the knowledge in classical mechanics. The book starts with a thorough introduction into Lagrangian mechanics, detailing the d’Alembert principle, Hamilton’s principle and conservation laws. It continues with an in-depth explanation of Hamiltonian mechanics, illustrated by canonical and Legendre transformation, the generalization to quantum mechanics through Poisson brackets and all relevant variational principles. Finally, the Hamilton-Jacobi theory and the transition to wave mechanics are presented in detail. Ideally suited to undergraduate students with some grounding in classical mechanics, the book is enhanced throughout with learning features such as boxed inserts and chapter summaries, with key mathematical derivations highlighted to aid understanding. The text is supported by ...

TOPOLOGICAL STRUCTURE AND MOBILITY OF THE MECHANISMS USED IN CAR MECHANICAL JACKS

Directory of Open Access Journals (Sweden)

Viorica VELIȘCU

2015-05-01

Full Text Available This paper presents a structural analysis of the mechanism of high topological type jack - screw and translator rectilinear- patina and mobility mechanism analysis using various generally applicable formulas.

Mechanical seals

CERN Document Server

Mayer, E

1977-01-01

Mechanical Seals, Third Edition is a source of practical information on the design and use of mechanical seals. Topics range from design fundamentals and test rigs to leakage, wear, friction and power, reliability, and special designs. This text is comprised of nine chapters; the first of which gives a general overview of seals, including various types of seals and their applications. Attention then turns to the fundamentals of seal design, with emphasis on six requirements that must be considered: sealing effectiveness, length of life, reliability, power consumption, space requirements, and c

Statistical mechanics

CERN Document Server

Davidson, Norman

2003-01-01

Clear and readable, this fine text assists students in achieving a grasp of the techniques and limitations of statistical mechanics. The treatment follows a logical progression from elementary to advanced theories, with careful attention to detail and mathematical development, and is sufficiently rigorous for introductory or intermediate graduate courses.Beginning with a study of the statistical mechanics of ideal gases and other systems of non-interacting particles, the text develops the theory in detail and applies it to the study of chemical equilibrium and the calculation of the thermody

Quantum mechanics for pedestrians

CERN Document Server

Pade, Jochen

2014-01-01

This book provides an introduction into the fundamentals of non-relativistic quantum mechanics. In Part 1, the essential principles are developed. Applications and extensions of the formalism can be found in Part 2. The book includes not only material that is presented in traditional textbooks on quantum mechanics, but also discusses in detail current issues such as interaction-free quantum measurements, neutrino oscillations, various topics in the field of quantum information as well as fundamental problems and epistemological questions, such as the measurement problem, entanglement, Bell's inequality, decoherence, and the realism debate. A chapter on current interpretations of quantum mechanics concludes the book. To develop quickly and clearly the main principles of quantum mechanics and its mathematical formulation, there is a systematic change between wave mechanics and algebraic representation in the first chapters. The required mathematical tools are introduced step by step. Moreover, the appendix coll...