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Sample records for computational nuclear structure

  1. Computational nuclear structure: Challenges, rewards, and prospects

    SciTech Connect

    Dean, D.J.

    1997-12-01

    The shell model Monte Carlo technique (SMMC) transforms the traditional nuclear shell model problem into a path-integral over auxiliary fields. Applications of the method to studies of various properties of fp-shell nuclei, including Gamow-Teller strengths and distributions, are reviewed. Part of the future of nuclear structure physics lies in the study of nuclei far from beta-stability. The author discusses preliminary work on proton deficient Xe isotopes, and on neutron rich nuclei in the sd-Jp shells.

  2. An introduction to using the FORTRAN programs provided with Computational Nuclear Physics 1 Nuclear Structure

    NASA Technical Reports Server (NTRS)

    Boytos, Matthew A.; Norbury, John W.

    1992-01-01

    The authors of this paper have provided a set of ready-to-run FORTRAN programs that should be useful in the field of theoretical nuclear physics. The purpose of this document is to provide a simple synopsis of the programs and their use. A separate section is devoted to each program set and includes: abstract; files; compiling, linking, and running; obtaining results; and a tutorial.

  3. FINITE ELEMENT MODELS FOR COMPUTING SEISMIC INDUCED SOIL PRESSURES ON DEEPLY EMBEDDED NUCLEAR POWER PLANT STRUCTURES.

    SciTech Connect

    XU, J.; COSTANTINO, C.; HOFMAYER, C.

    2006-06-26

    PAPER DISCUSSES COMPUTATIONS OF SEISMIC INDUCED SOIL PRESSURES USING FINITE ELEMENT MODELS FOR DEEPLY EMBEDDED AND OR BURIED STIFF STRUCTURES SUCH AS THOSE APPEARING IN THE CONCEPTUAL DESIGNS OF STRUCTURES FOR ADVANCED REACTORS.

  4. Nuclear Physics computer networking: Report of the Nuclear Physics Panel on Computer Networking

    SciTech Connect

    Bemis, C. ); Erskine, J. ); Franey, M. ); Greiner, D. ); Hoehn, M. ); Kaletka, M. ); LeVine, M. ); Roberson, R. (Duke Univ., Durham, NC (U

    1990-05-01

    This paper discusses: the state of computer networking within nuclear physics program; network requirements for nuclear physics; management structure; and issues of special interest to the nuclear physics program office.

  5. Large-Scale Computations Leading to a First-Principles Approach to Nuclear Structure

    SciTech Connect

    Ormand, W E; Navratil, P

    2003-08-18

    We report on large-scale applications of the ab initio, no-core shell model with the primary goal of achieving an accurate description of nuclear structure from the fundamental inter-nucleon interactions. In particular, we show that realistic two-nucleon interactions are inadequate to describe the low-lying structure of {sup 10}B, and that realistic three-nucleon interactions are essential.

  6. Frontiers of Nuclear Structure

    SciTech Connect

    Nazarewicz, Witold

    1997-12-31

    Current developments in nuclear structure at the `limits` are discussed. The studies of nuclear behavior at extreme conditions provide us with invaluable information about the nature of the nuclear interaction and nucleonic correlations at various energy-distance scales. In this talk frontiers of nuclear structure are briefly reviewed from a theoretical perspective, mainly concentrating on medium-mass and heavy nuclei.

  7. Challenges in nuclear structure theory

    NASA Astrophysics Data System (ADS)

    Nazarewicz, W.

    2016-08-01

    The goal of nuclear structure theory is to build a comprehensive microscopic framework in which properties of nuclei and extended nuclear matter, and nuclear reactions and decays can all be consistently described. Due to novel theoretical concepts, breakthroughs in the experimentation with rare isotopes, increased exchange of ideas across different research areas, and the progress in computer technologies and numerical algorithms, nuclear theorists have been quite successful in solving various bits and pieces of the nuclear many-body puzzle and the prospects are exciting. This article contains a brief, personal perspective on the status of the field.

  8. Computers boost structural technology

    NASA Technical Reports Server (NTRS)

    Noor, Ahmed K.; Venneri, Samuel L.

    1989-01-01

    Derived from matrix methods of structural analysis and finite element methods developed over the last three decades, computational structures technology (CST) blends computer science, numerical analysis, and approximation theory into structural analysis and synthesis. Recent significant advances in CST include stochastic-based modeling, strategies for performing large-scale structural calculations on new computing systems, and the integration of CST with other disciplinary modules for multidisciplinary analysis and design. New methodologies have been developed at NASA for integrated fluid-thermal structural analysis and integrated aerodynamic-structure-control design. The need for multiple views of data for different modules also led to the development of a number of sophisticated data-base management systems. For CST to play a role in the future development of structures technology and in the multidisciplinary design of future flight vehicles, major advances and computational tools are needed in a number of key areas.

  9. Computational engine structural analysis

    NASA Technical Reports Server (NTRS)

    Chamis, C. C.; Johns, R. H.

    1986-01-01

    A significant research activity at the NASA Lewis Research Center is the computational simulation of complex multidisciplinary engine structural problems. This simulation is performed using computational engine structural analysis (CESA) which consists of integrated multidisciplinary computer codes in conjunction with computer post-processing for problem-specific application. A variety of the computational simulations of specific cases are described in some detail in this paper. These case studies include: (1) aeroelastic behavior of bladed rotors, (2) high velocity impact of fan blades, (3) blade-loss transient response, (4) rotor/stator/squeeze-film/bearing interaction, (5) blade-fragment/rotor-burst containment, and (6) structural behavior of advanced swept turboprops. These representative case studies are selected to demonstrate the breath of the problems analyzed and the role of the computer including post-processing and graphical display of voluminous output data.

  10. Computational Infrastructure for Nuclear Astrophysics

    NASA Astrophysics Data System (ADS)

    Smith, M. S.; Lingerfelt, E. J.; Scott, J. P.; Nesaraja, C. D.; Hix, W. R.; Bardayan, D. W.; Blackmon, J. C.; Chae, K.; Guidry, M. W.; Hard, C. C.; Sharp, J. E.; Kozub, R. L.; Meyer, R. A.

    2004-12-01

    The Computational Infrastructure for Nuclear Astrophysics is a platform-independent, online suite of computer codes developed by the ORNL Nuclear Data Project that makes a rapid connection between laboratory nuclear physics results and astrophysical models. It enables users to evaluate cross sections, process them into thermonuclear reaction rates, and parameterize (with a few percent accuracy) these rates that vary by up to 30 orders of magnitude over the temperatures of interest. Users can then properly format these rates for input into astrophysical computer simulations, create and manipulate libraries of rates, as well as run and visualize sample post-processing nucleosynthesis calculations. For example, we have developed animated nuclide charts that show how predicted abundances (represented by a user-defined color scale) change in time. With this unique suite, users can within a very short time quantify the astrophysical impact of a newly measured or calculated cross section, or a newly created customized reaction rate library, and then document and share their results with the scientific community. The suite has a straightforward interface with a "Windows Wizard" motif whereby users progress through complicated calculations in a step-by-step fashion. Users can upload their own files for processing and save their work on our server, as well as work with files that other users wish to share. These tools are currently being used to investigate novae and X-ray bursts. The suite is available through nucastrodata.org, a website that also hyperlinks available nuclear data sets relevant for nuclear astrophysics research. New features are continually being added to this software, which is funded by the U.S. Department of Energy Low Energy Nuclear Physics and Nuclear Data Programs. ORNL is managed by UT-Battelle, LLC, for the U.S. Department of Energy under contract DE-AC05-00OR22725.

  11. Computational Design of Advanced Nuclear Fuels

    SciTech Connect

    Savrasov, Sergey; Kotliar, Gabriel; Haule, Kristjan

    2014-06-03

    The objective of the project was to develop a method for theoretical understanding of nuclear fuel materials whose physical and thermophysical properties can be predicted from first principles using a novel dynamical mean field method for electronic structure calculations. We concentrated our study on uranium, plutonium, their oxides, nitrides, carbides, as well as some rare earth materials whose 4f eletrons provide a simplified framework for understanding complex behavior of the f electrons. We addressed the issues connected to the electronic structure, lattice instabilities, phonon and magnon dynamics as well as thermal conductivity. This allowed us to evaluate characteristics of advanced nuclear fuel systems using computer based simulations and avoid costly experiments.

  12. Computational structures for robotic computations

    NASA Technical Reports Server (NTRS)

    Lee, C. S. G.; Chang, P. R.

    1987-01-01

    The computational problem of inverse kinematics and inverse dynamics of robot manipulators by taking advantage of parallelism and pipelining architectures is discussed. For the computation of inverse kinematic position solution, a maximum pipelined CORDIC architecture has been designed based on a functional decomposition of the closed-form joint equations. For the inverse dynamics computation, an efficient p-fold parallel algorithm to overcome the recurrence problem of the Newton-Euler equations of motion to achieve the time lower bound of O(log sub 2 n) has also been developed.

  13. Computational nuclear quantum many-body problem: The UNEDF project

    SciTech Connect

    Fann, George I

    2013-01-01

    The UNEDF project was a large-scale collaborative effort that applied high-performance computing to the nuclear quantum many-body problem. The primary focus of the project was on constructing, validating, and applying an optimized nuclear energy density functional, which entailed a wide range of pioneering developments in microscopic nuclear structure and reactions, algorithms, high-performance computing, and uncertainty quantification. UNEDF demonstrated that close associations among nuclear physicists, mathematicians, and computer scientists can lead to novel physics outcomes built on algorithmic innovations and computational developments. This review showcases a wide range of UNEDF science results to illustrate this interplay.

  14. High energy nuclear structures

    SciTech Connect

    Boguta, J.; Kunz, J.

    1984-03-09

    In conventional nuclear physics the nucleus is described as a non-relativistic many-body system, which is governed by the Schroedinger equation. Nucleons interact in this framework via static two-body potentials, mesonic degrees of freedom are neglected. An alternative description of nuclear physics in terms of a relativistic field theory has been developed by Walecka. The model Lagrangian containing baryons, sigma-mesons and ..omega..-mesons was subsequently extended to include also ..pi..-mesons and rho-mesons. An essential feature of such a nuclear Lagrangian is its renormalizability. In addition to the description of known nuclear structure the field theoretical approach may reveal entirely new nuclear phenomena, based on the explicit treatment of mesonic degrees of freedom. The existence of such abnormal nuclear states was proposed by Lee and Wick employing the sigma-model Lagrangian. There the non-linearity of the meson field equations allows for soliton solutions in the presence of nucleons, in particular the sigma-field may exhibit a kink. Different types of soliton solutions occur in gauge theories with hidden symmetries. In the phenomenological Lagrangian the rho-meson is described by a non-abelian gauge field, that acquires its mass spontaneously due to the non-vanishing vacuum expectation value of a Higgs field. A general ansatz for soliton solutions of such a gauge theory was given by Dashen et al. A specific solution and its possible implications for nuclear physics like anomalous nuclear states were discussed by Boguta.

  15. Extremes of nuclear structure

    NASA Astrophysics Data System (ADS)

    1999-09-01

    With the advent of medium and large gamma detector arrays, it is now possible to look at nuclear structure at high rotational forces. The role of pairing correlations and their eventual breakdown, along with the shell effects have showed us the interesting physics for nuclei at high spins - superdeformation, shape co-existence, yrast traps, alignments and their dramatic effects on nuclear structure and so on. Nuclear structure studies have recently become even more exciting, due to efforts and possibilities to reach nuclei far off from the stability valley. Coupling of gamma ray arrays with 'filters', like neutron wall, charged particle detector array, gamma ray total energy and multiplicity castles, conversion electron spectrometers etc gives a great handle to study nuclei produced online with 'low' cross-sections. Recently we studied, nuclei in mass region 80 using an array of 8 germanium detectors in conjunction with the recoil mass analyser, HIRA at the Nuclear Science Centre and, most unexpectedly came across the phenomenon of identical bands, with two quasi-particle difference. The discovery of magnetic rotation is another highlight. Our study of light In nucleus, 107In brought us face to face with the 'dipole' bands. I plan to discuss some of these aspects. There is also an immensely important development - that of the 'radioactive ion beams'. The availability of RIB, will probably very dramatically influence our 'conventional' concept of nuclear structure. The exotic shapes of these exotic nuclei and some of their expected properties will also be touched upon.

  16. Novel computer-aided diagnosis of mesothelioma using nuclear structure of mesothelial cells in effusion cytology specimens

    NASA Astrophysics Data System (ADS)

    Tosun, Akif Burak; Yergiyev, Oleksandr; Kolouri, Soheil; Silverman, Jan F.; Rohde, Gustavo K.

    2014-03-01

    diagnostic standard is a pleural biopsy with subsequent histologic examination of the tissue demonstrating invasion by the tumor. The diagnostic tissue is obtained through thoracoscopy or open thoracotomy, both being highly invasive procedures. Thoracocenthesis, or removal of effusion fluid from the pleural space, is a far less invasive procedure that can provide material for cytological examination. However, it is insufficient to definitively confirm or exclude the diagnosis of malignant mesothelioma, since tissue invasion cannot be determined. In this study, we present a computerized method to detect and classify malignant mesothelioma based on the nuclear chromatin distribution from digital images of mesothelial cells in effusion cytology specimens. Our method aims at determining whether a set of nuclei belonging to a patient, obtained from effusion fluid images using image segmentation, is benign or malignant, and has a potential to eliminate the need for tissue biopsy. This method is performed by quantifying chromatin morphology of cells using the optimal transportation (Kantorovich-Wasserstein) metric in combination with the modified Fisher discriminant analysis, a k-nearest neighborhood classification, and a simple voting strategy. Our results show that we can classify the data of 10 different human cases with 100% accuracy after blind cross validation. We conclude that nuclear structure alone contains enough information to classify the malignant mesothelioma. We also conclude that the distribution of chromatin seems to be a discriminating feature between nuclei of benign and malignant mesothelioma cells.

  17. A Review of Nuclear Computational Information

    SciTech Connect

    Kirk, Bernadette Lugue

    2010-01-01

    The Radiation Safety Information Computational Center (RSICC) and the Organisation for Economic Co-operation and Development (OECD) Nuclear Energy Agency Data Bank (NEADB) work together to acquire sets of computer codes, nuclear data, and integral experiments relevant to shielding and dosimetry applications for fission, fusion, and accelerator applications. To keep up with advances in computing technology, international researchers continue to develop nuclear software. Collection centers like RSICC and NEADB serve the community and play a role in advancing nuclear science and technology research.

  18. Computational structural mechanics for engine structures

    NASA Technical Reports Server (NTRS)

    Chamis, Christos C.

    1989-01-01

    The computational structural mechanics (CSM) program at Lewis encompasses the formulation and solution of structural mechanics problems and the development of integrated software systems to computationally simulate the performance, durability, and life of engine structures. It is structured to supplement, complement, and, whenever possible, replace costly experimental efforts. Specific objectives are to investigate unique advantages of parallel and multiprocessing for reformulating and solving structural mechanics and formulating and solving multidisciplinary mechanics and to develop integrated structural system computational simulators for predicting structural performance, evaluating newly developed methods, and identifying and prioritizing improved or missing methods.

  19. Computational structural mechanics for engine structures

    NASA Technical Reports Server (NTRS)

    Chamis, Christos C.

    1988-01-01

    The computational structural mechanics (CSM) program at Lewis encompasses the formulation and solution of structural mechanics problems and the development of integrated software systems to computationally simulate the performance, durability, and life of engine structures. It is structured to supplement, complement, and, whenever possible, replace costly experimental efforts. Specific objectives are to investigate unique advantages of parallel and multiprocessing for reformulating and solving structural mechanics and formulating and solving multidisciplinary mechanics and to develop integrated structural system computational simulators for predicting structural performance, evaluating newly developed methods, and identifying and prioritizing improved or missing methods.

  20. Computer applications for engineering/structural analysis

    NASA Astrophysics Data System (ADS)

    Zaslawsky, M.; Samaddar, S. K.

    1991-10-01

    Analysts and organizations have a tendency to lock themselves into specific codes with the obvious consequence of not addressing the real problem and thus reaching the wrong conclusion. This paper discusses the role of the analyst in selecting computer codes. The participation and support of a computation division in modifying the source program, configuration management, and pre- and post-processing of codes are among the subjects discussed. Specific examples illustrating the computer code selection process are described in the following problem areas: soil structure interaction, structural analysis of nuclear reactors, analysis of waste tanks where fluid structure interaction is important, analysis of equipment, structure-structure interaction, analysis of the operation of the superconductor supercollider which includes friction and transient temperature, and 3D analysis of the 10-meter telescope being built in Hawaii. Validation and verification of computer codes and their impact on the selection process are also discussed.

  1. Computer applications for engineering/structural analysis

    SciTech Connect

    Zaslawsky, M.; Samaddar, S.K.

    1991-01-01

    Analysts and organizations have a tendency to lock themselves into specific codes with the obvious consequences of not addressing the real problem and thus reaching the wrong conclusion. This paper discusses the role of the analyst in selecting computer codes. The participation and support of a computation division in modifying the source program, configuration management, and pre- and post-processing of codes are among the subjects discussed. Specific examples illustrating the computer code selection process are described in the following problem areas: soil structure interaction, structural analysis of nuclear reactors, analysis of waste tanks where fluid structure interaction is important, analysis of equipment, structure-structure interaction, analysis of the operation of the superconductor supercollider which includes friction and transient temperature, and 3D analysis of the 10-meter telescope being built in Hawaii. Validation and verification of computer codes and their impact on the selection process are also discussed.

  2. Computational structural mechanics for engine structures

    NASA Technical Reports Server (NTRS)

    Chamis, C. C.

    1989-01-01

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

  3. Computational Study of Low Energy Nuclear Scattering

    NASA Astrophysics Data System (ADS)

    Salazar, Justin; Hira, Ajit; Brownrigg, Clifton; Pacheco, Jose

    2013-04-01

    We continue our interest in the interactions between different nuclear species with a computational study of the scattering of the low-energy nuclei of H through F atoms ( Z<=9 ) from Palladium and other metals. First, a FORTRAN computer program was developed to compute stopping cross sections and scattering angles in Pd and other metals for the small nuclear projectiles, using Monte Carlo calculation. This code allows for different angles of incidence. Next, simulations were done in the energy interval from 10 to 140kev. The computational results thus obtained are compared with relevant experimental data. The data are further analyzed to identify periodic trends in terms of the atomic number of the projectile. Such studies have potential applications in nuclear physics and in nuclear medicine.

  4. Computers and quality control in nuclear medicine.

    PubMed

    Brookeman, V A

    1978-04-01

    The general topic of computers and nuclear medicine quality control may be approached from two main areas; controlling the quality of computerized studies, and computer applications in general nuclear medicine quality control. Overlap occurs when quality control of computer studies is performed by the computer itself. The uses of computers in record-keeping and in quality control of imaging instrumentation and in vitro studies, including radioimmunoassay, are discussed in this review. Aspects of quality control for computerized clinical cardiovascular, cerebral, and renal studies and emission computed tomography are reviewed, including consideration of difficulties and inaccuracies involved in the studies. Any automatic computer analysis program should incorporate adequate checks and error detection protocols and should illustrate results for verification. Current routine quality control procedures using the computer unfortunately are few. Quality control criteria are needed for camera/computer systems in high count rate clinical applications, and increasing emphasis should be aimed at quality control of those computerized dynamic and function studies in current clinical use. The computer has a valuable potential for nuclear medicine quality control. In vitro and computerized in vivo studies can be analyzed by readily available statistical programs, and variances can be monitored continuously. Computers can calibrate and monitor instrument performance regularly, and can handle managerial and clerical duties such as bookkeeping. PMID:684439

  5. Digital computer operation of a nuclear reactor

    DOEpatents

    Colley, Robert W.

    1984-01-01

    A method is described for the safe operation of a complex system such as a nuclear reactor using a digital computer. The computer is supplied with a data base containing a list of the safe state of the reactor and a list of operating instructions for achieving a safe state when the actual state of the reactor does not correspond to a listed safe state, the computer selects operating instructions to return the reactor to a safe state.

  6. Digital computer operation of a nuclear reactor

    DOEpatents

    Colley, R.W.

    1982-06-29

    A method is described for the safe operation of a complex system such as a nuclear reactor using a digital computer. The computer is supplied with a data base containing a list of the safe state of the reactor and a list of operating instructions for achieving a safe state when the actual state of the reactor does not correspond to a listed safe state, the computer selects operating instructions to return the reactor to a safe state.

  7. Computational Methods For Composite Structures

    NASA Technical Reports Server (NTRS)

    Chamis, Christos C.

    1988-01-01

    Selected methods of computation for simulation of mechanical behavior of fiber/matrix composite materials described in report. For each method, report describes significance of behavior to be simulated, procedure for simulation, and representative results. Following applications discussed: effects of progressive degradation of interply layers on responses of composite structures, dynamic responses of notched and unnotched specimens, interlaminar fracture toughness, progressive fracture, thermal distortions of sandwich composite structure, and metal-matrix composite structures for use at high temperatures. Methods demonstrate effectiveness of computational simulation as applied to complex composite structures in general and aerospace-propulsion structural components in particular.

  8. Evaluated nuclear structure data file

    NASA Astrophysics Data System (ADS)

    Tuli, J. K.

    1996-02-01

    The Evaluated Nuclear Structure Data File (ENSDF) contains the evaluated nuclear properties of all known nuclides, as derived both from nuclear reaction and radioactive decay measurements. All experimental data are evaluated to create the adopted properties for each nuclide. ENSDF, together with other numeric and bibliographic files, can be accessed on-line through the INTERNET or modem, and some of the databases are also available on the World Wide Web. The structure and the scope of ENSDF are presented along with the on-line access system of the National Nuclear Data Center at Brookhaven National Laboratory.

  9. Evaluated nuclear structure data file

    NASA Astrophysics Data System (ADS)

    Tuli, J. K.

    The Evaluated Nuclear Structure Data File (ENSDF) contains the evaluated nuclear properties of all known nuclides. These properties are derived both from nuclear reaction and radioactive decay measurements. All experimental data are evaluated to create the adopted properties for each nuclide. ENSDF, together with other numeric and biographic files, can be accessed on-line through the INTERNET or modem. Some of the databases are also available on the World Wide Web. The structure and the scope of ENSDF are presented along with the on-line access system of the National Nuclear Data Center at Brookhaven National Laboratory.

  10. Computer-based structure generation

    NASA Astrophysics Data System (ADS)

    Korytko, Andrey A.

    The program HOUDINI has been designed to construct all structures consistent with structural implications of spectroscopic and other properties of an unknown molecule. With the advent of HOUDINI, a new method of computer structure generation, called convergent structure generation, has been developed that addresses the limitations of earlier methods. Several features of HOUDINI are noteworthy: an integrated application of the collective substructural information; the use of parallel atom groups for a highly efficient handling of alternative substructural inferences; and a managed structure generation procedure designed to build required structural features early in the process. A number of complex structure elucidation problems were solved using the HOUDINI-based comprehensive structure elucidation system. The program performance suggests that convergent structure generation is effective in solving structure problems where much of the input to the structure generator is highly ambiguous, i.e., expressed as families of alternative substructural inferences.

  11. Nuclear Structure at the Limits

    SciTech Connect

    Nazarewicz, Witold

    1997-12-31

    One of the frontiers of today`s nuclear science is the ``journey to the limits``: of atomic charge and nuclear mass, of neutron-to-proton ratio, and of angular momentum. The tour to the limits is not only a quest for new, exciting phenomena but the new data are expected, as well, to bring qualitatively new information about the fundamental properties of the nucleonic many-body system, the nature of the nuclear interaction, and nucleonic correlations at various energy-distance scales. In this talk, current developments in nuclear structure at the limits are discussed from a theoretical perspective.

  12. Distributed computing and nuclear reactor analysis

    SciTech Connect

    Brown, F.B.; Derstine, K.L.; Blomquist, R.N.

    1994-03-01

    Large-scale scientific and engineering calculations for nuclear reactor analysis can now be carried out effectively in a distributed computing environment, at costs far lower than for traditional mainframes. The distributed computing environment must include support for traditional system services, such as a queuing system for batch work, reliable filesystem backups, and parallel processing capabilities for large jobs. All ANL computer codes for reactor analysis have been adapted successfully to a distributed system based on workstations and X-terminals. Distributed parallel processing has been demonstrated to be effective for long-running Monte Carlo calculations.

  13. Computational Challenges in Nuclear Weapons Simulation

    SciTech Connect

    McMillain, C F; Adams, T F; McCoy, M G; Christensen, R B; Pudliner, B S; Zika, M R; Brantley, P S; Vetter, J S; May, J M

    2003-08-29

    After a decade of experience, the Stockpile Stewardship Program continues to ensure the safety, security and reliability of the nation's nuclear weapons. The Advanced Simulation and Computing (ASCI) program was established to provide leading edge, high-end simulation capabilities needed to meet the program's assessment and certification requirements. The great challenge of this program lies in developing the tools and resources necessary for the complex, highly coupled, multi-physics calculations required to simulate nuclear weapons. This paper describes the hardware and software environment we have applied to fulfill our nuclear weapons responsibilities. It also presents the characteristics of our algorithms and codes, especially as they relate to supercomputing resource capabilities and requirements. It then addresses impediments to the development and application of nuclear weapon simulation software and hardware and concludes with a summary of observations and recommendations on an approach for working with industry and government agencies to address these impediments.

  14. Microscopic Nuclear Structure Theory: An Overview

    NASA Astrophysics Data System (ADS)

    Barrett, Bruce R.

    1999-10-01

    Around 1990 a Renaissance began in the field of nuclear structure theory, because of the major advances in computer technology and the realization that a fundamental understanding of nuclear properties from basic principles was essential to making future progress not only in nuclear physics but also in other fields, such as astrophysics. Within the time available, a brief survey will be given of the current worldwide efforts to determine microscopically nuclear properties from the new statistical approaches to the ab initio variational calculations and from the recent huge basis-space shell-model investigations with semi-phenomenological interactions to microscopic calculations to determine the effective interaction and other operators for nuclei starting from the free nucleon-nucleon potential.

  15. Functional evolution of nuclear structure

    PubMed Central

    Dawson, Scott C.

    2011-01-01

    The evolution of the nucleus, the defining feature of eukaryotic cells, was long shrouded in speculation and mystery. There is now strong evidence that nuclear pore complexes (NPCs) and nuclear membranes coevolved with the endomembrane system, and that the last eukaryotic common ancestor (LECA) had fully functional NPCs. Recent studies have identified many components of the nuclear envelope in living Opisthokonts, the eukaryotic supergroup that includes fungi and metazoan animals. These components include diverse chromatin-binding membrane proteins, and membrane proteins with adhesive lumenal domains that may have contributed to the evolution of nuclear membrane architecture. Further discoveries about the nucleoskeleton suggest that the evolution of nuclear structure was tightly coupled to genome partitioning during mitosis. PMID:22006947

  16. Nuclear structure from radioactive decay

    SciTech Connect

    Wood, J.L.

    1991-09-30

    This report discusses nuclear structure from radioactive decay of the following: Neutron-Deficient Iridium Isotopes; Neutron-Deficient Platinum Isotopes; Neutron-Deficient Gold Isotopes; Neutron-Deficient Mercury Isotopes; Neutron-Deficient Thallium Isotopes; Neutron-Deficient Lead Isotopes; Neutron-Deficient Samarium Isotopes; Neutron-Deficient Promethium Isotopes; Neutron-Deficient Neodymium Isotopes; and Neutron-Deficient Praseodymium Isotopes. Also discussed are Nuclear Systematics and Models.

  17. Infinite possibilities: Computational structures technology

    NASA Astrophysics Data System (ADS)

    Beam, Sherilee F.

    1994-12-01

    Computational Fluid Dynamics (or CFD) methods are very familiar to the research community. Even the general public has had some exposure to CFD images, primarily through the news media. However, very little attention has been paid to CST--Computational Structures Technology. Yet, no important design can be completed without it. During the first half of this century, researchers only dreamed of designing and building structures on a computer. Today their dreams have become practical realities as computational methods are used in all phases of design, fabrication and testing of engineering systems. Increasingly complex structures can now be built in even shorter periods of time. Over the past four decades, computer technology has been developing, and early finite element methods have grown from small in-house programs to numerous commercial software programs. When coupled with advanced computing systems, they help engineers make dramatic leaps in designing and testing concepts. The goals of CST include: predicting how a structure will behave under actual operating conditions; designing and complementing other experiments conducted on a structure; investigating microstructural damage or chaotic, unpredictable behavior; helping material developers in improving material systems; and being a useful tool in design systems optimization and sensitivity techniques. Applying CST to a structure problem requires five steps: (1) observe the specific problem; (2) develop a computational model for numerical simulation; (3) develop and assemble software and hardware for running the codes; (4) post-process and interpret the results; and (5) use the model to analyze and design the actual structure. Researchers in both industry and academia continue to make significant contributions to advance this technology with improvements in software, collaborative computing environments and supercomputing systems. As these environments and systems evolve, computational structures technology will

  18. Infinite possibilities: Computational structures technology

    NASA Technical Reports Server (NTRS)

    Beam, Sherilee F.

    1994-01-01

    Computational Fluid Dynamics (or CFD) methods are very familiar to the research community. Even the general public has had some exposure to CFD images, primarily through the news media. However, very little attention has been paid to CST--Computational Structures Technology. Yet, no important design can be completed without it. During the first half of this century, researchers only dreamed of designing and building structures on a computer. Today their dreams have become practical realities as computational methods are used in all phases of design, fabrication and testing of engineering systems. Increasingly complex structures can now be built in even shorter periods of time. Over the past four decades, computer technology has been developing, and early finite element methods have grown from small in-house programs to numerous commercial software programs. When coupled with advanced computing systems, they help engineers make dramatic leaps in designing and testing concepts. The goals of CST include: predicting how a structure will behave under actual operating conditions; designing and complementing other experiments conducted on a structure; investigating microstructural damage or chaotic, unpredictable behavior; helping material developers in improving material systems; and being a useful tool in design systems optimization and sensitivity techniques. Applying CST to a structure problem requires five steps: (1) observe the specific problem; (2) develop a computational model for numerical simulation; (3) develop and assemble software and hardware for running the codes; (4) post-process and interpret the results; and (5) use the model to analyze and design the actual structure. Researchers in both industry and academia continue to make significant contributions to advance this technology with improvements in software, collaborative computing environments and supercomputing systems. As these environments and systems evolve, computational structures technology will

  19. Uniquely designed nuclear structures of lower eukaryotes.

    PubMed

    Iwamoto, Masaaki; Hiraoka, Yasushi; Haraguchi, Tokuko

    2016-06-01

    The nuclear structures of lower eukaryotes, specifically protists, often vary from those of yeasts and metazoans. Several studies have demonstrated the unique and fascinating features of these nuclear structures, such as a histone-independent condensed chromatin in dinoflagellates and two structurally distinct nuclear pore complexes in ciliates. Despite their unique molecular/structural features, functions required for formation of their cognate molecules/structures are highly conserved. This provides important information about the structure-function relationship of the nuclear structures. In this review, we highlight characteristic nuclear structures found in lower eukaryotes, and discuss their attractiveness as potential biological systems for studying nuclear structures. PMID:26963276

  20. Nuclear Structure at the Limits

    SciTech Connect

    Nazarewicz, W.

    1998-01-12

    One of the frontiers of today�s nuclear science is the �journey to the limits� of atomic charge and nuclear mass, of neutron-to-proton ratio, and of angular momentum. The tour to the limits is not only a quest for new, exciting phenomena, but the new data are expected, as well, to bring qualitatively new information about the fundamental properties of the nucleonic many-body system, the nature of the nuclear interaction, and nucleonic correlations at various energy-distance scales. In this series of lectures, current developments in nuclear structure at the limits are discussed from a theoretical perspective, mainly concentrating on medium-mass and heavy nuclei.

  1. Computation of statistical secondary structure of nucleic acids.

    PubMed Central

    Yamamoto, K; Kitamura, Y; Yoshikura, H

    1984-01-01

    This paper presents a computer analysis of statistical secondary structure of nucleic acids. For a given single stranded nucleic acid, we generated "structure map" which included all the annealing structures in the sequence. The map was transformed into "energy map" by rough approximation; here, the energy level of every pairing structure consisting of more than 2 successive nucleic acid pairs was calculated. By using the "energy map", the probability of occurrence of each annealed structure was computed, i.e., the structure was computed statistically. The basis of computation was the 8-queen problem in the chess game. The validity of our computer programme was checked by computing tRNA structure which has been well established. Successful application of this programme to small nuclear RNAs of various origins is demonstrated. PMID:6198622

  2. Changing Facets of Nuclear Structure

    NASA Astrophysics Data System (ADS)

    Covello, Aldo

    2008-04-01

    Section I. Exotic nuclear structure. Radioactive beams at TRIUMF / A. C. Shotter. Status of RI-beam factory project at RIKEN / H. Ueno. Population of neutron unbound states via two-proton knockout reactions / N. Frank ... [et al.]. Studies of neutron-rich nuclei using ISOL facilities at CERN and Jyväskylä / J. Äystö. Shell structure evolution far from stability: recent results from GANIL / F. Azaiez. Magnetic moment meaurements: pushing the limits / N. Benczer-Koller. Technique for measuring angular correlations and g-factors of excited states with large multi-detector arrays: an application to neutron rich nuclei produced in spontaneous fission / A. V. Ramayya ... [et al.]. Isospin symmetry and proton decay: identification of the 10+ isomer in [symbol]Ni / C. Fahlander ... [et al.]. Exploring the evolution of the shell structure by means of deep inelastic reactions / G. de Angelis. Studies on the exotic structure of [symbol]Al by measurements of [symbol] and P[symbol] / D. Q. Fang ... [et al.]. Extended cluster model for light and medium nuclei / M. Tomaselli ... [et al.]. Nuclear structure studies on exotic nuclei with radioactive beams - present status and future perspectives at FAIR / P. Egelhof. The SPES direct target project at the Laboratori Nazionali di Legnaro / G. Prete ... [et al.] -- Section II. Nuclear structure and nuclear forces. Modern aspects of nuclear structure theory / J. Wambach. Correlations in nuclei: a review / R. Schiavilla. Correlated nucleons in k- and r-space / I. Sick. Roles of all-order core polarizations and Brown-Rho scaling in nucleon effective interactions / T. T. S. Kuo ... [et al.]. Ab initio and ab exitu no core shell model / J. P. Vary ... [et al.]. Ab-initio coupled cluster theory for open quantum systems / G. Hagen ... [et al.]. Symplectic no-core shell model / J. P. Draayer ... [et al.]. Role of deformed symplectic configurations in ab initio no-core shell model results / T. Dytrych ... [et al.]. Nuclear structure

  3. Computer simulation of underwater nuclear events

    SciTech Connect

    Kamegai, M.

    1986-09-01

    This report describes the computer simulation of two underwater nuclear explosions, Operation Wigwam and a modern hypothetical explosion of greater yield. The computer simulations were done in spherical geometry with the LASNEX computer code. Comparison of the LASNEX calculation with Snay's analytical results and the Wigwam measurements shows that agreement in the shock pressure versus range in water is better than 5%. The results of the calculations are also consistent with the cube root scaling law for an underwater blast wave. The time constant of the wave front was determined from the wave profiles taken at several points. The LASNEX time-constant calculation and Snay's theoretical results agree to within 20%. A time-constant-versus-range relation empirically fitted by Snay is valid only within a limited range at low pressures, whereas a time-constant formula based on Sedov's similarity solution holds at very high pressures. This leaves the intermediate pressure range with neither an empirical nor a theoretical formula for the time constant. These one-dimensional simulations demonstrate applicability of the computer code to investigations of this nature, and justify the use of this technique for more complex two-dimensional problems, namely, surface effects on underwater nuclear explosions. 16 refs., 8 figs., 2 tabs.

  4. Computer simulation of underwater nuclear effects

    SciTech Connect

    Kamegai, M.

    1987-01-30

    We investigated underwater nuclear effects by computer simulations. First, we computed a long distance wave propagation in water by the 1-D LASNEX code by modeling the energy source and the underwater environment. The pressure-distance data were calculated for two quite different yields; pressures range from 300 GPa to 15 MPa. They were found to be in good agreement with Snay's theoretical points and the Wigwam measurements. The computed data also agree with the similarity solution at high pressures and the empirical equation at low pressures. After completion of the 1-D study, we investigated a free surface effect commonly referred to as irregular surface rarefaction by applying two hydrocodes (LASNEX and ALE), linked at the appropriate time. Using these codes, we simulated near-surface explosions for three depths of burst (3 m, 21 m and 66.5 m), which represent the strong, intermediate, and weak surface shocks, respectively.

  5. Nuclear structure from radioactive decay

    SciTech Connect

    Wood, J.L.

    1990-09-30

    This report discusses the nuclear structure of the following isotopes as a result of radioactive decays: neutron-deficient iridium isotopes; neutron-deficient platinum isotopes; neutron-deficient gold isotopes; neutron-deficient mercury isotopes; neutron-deficient thallium isotopes; neutron-deficient lead isotopes; neutron-deficient promethium isotopes; and neutron-deficient samarium isotopes.

  6. Military engine computational structures technology

    NASA Technical Reports Server (NTRS)

    Thomson, Daniel E.

    1992-01-01

    Integrated High Performance Turbine Engine Technology Initiative (IHPTET) goals require a strong analytical base. Effective analysis of composite materials is critical to life analysis and structural optimization. Accurate life prediction for all material systems is critical. User friendly systems are also desirable. Post processing of results is very important. The IHPTET goal is to double turbine engine propulsion capability by the year 2003. Fifty percent of the goal will come from advanced materials and structures, the other 50 percent will come from increasing performance. Computer programs are listed.

  7. Computational Studies of Flame Structures

    NASA Astrophysics Data System (ADS)

    Amin, Vaishali

    This thesis is concerned with computational studies of laminar flame structures using detailed and skeletal chemical kinetic mechanisms. Elementary reactions in these mechanisms control the observable combustion properties such as flame speed, autoignition temperature, ignition delay time, and extinction characteristics in nonpremixed and premixed flame phenomena. First part of thesis deals with computational investigations of influence of carbon monoxide and hydrogen addition on methane flames stabilized in counterflow configuration. Computations were performed employing detailed chemical kinetic mechanism---the San Diego mechanism. In case of nonpremixed flames, effect of carbon xvi monoxide addition on structure and critical condition of extinction were examined. Differences between addition on fuel and oxidizer sides were investigated and plausible explanation given for the differences. For premixed flames, effect of addition of hydrogen and carbon monoxide to reactant mixture was studied. Critical conditions of extinction were predicted using computations for various compositions. Rates of production and consumption of various species were calculated and flame structure was analyzed for nonpremixed and premixed flames. It was found that moderate amount of carbon monoxide addition to methane enhances flame reactivity. However, with large amount of carbon monoxide addition, additive chemistry dominates. Addition of increasing amounts of hydrogen in premixed reactant stream enhances methane flame reactivity. In second part of thesis, kinetic modeling was performed to elucidate the structure and mechanism of extinction and autoignition of nonpremixed toluene flames in counterflow configuration. Computations were performed using detailed chemistry to determine flame structure and to obtain values for critical conditions of extinction and autoignition. Sensitivity analysis of rate parameters, reaction pathway analysis, and spatial reaction rate profiles were used to

  8. Nuclear Quadrupole Moments and Nuclear Shell Structure

    DOE R&D Accomplishments Database

    Townes, C. H.; Foley, H. M.; Low, W.

    1950-06-23

    Describes a simple model, based on nuclear shell considerations, which leads to the proper behavior of known nuclear quadrupole moments, although predictions of the magnitudes of some quadrupole moments are seriously in error.

  9. Collective network for computer structures

    DOEpatents

    Blumrich, Matthias A.; Coteus, Paul W.; Chen, Dong; Gara, Alan; Giampapa, Mark E.; Heidelberger, Philip; Hoenicke, Dirk; Takken, Todd E.; Steinmacher-Burow, Burkhard D.; Vranas, Pavlos M.

    2011-08-16

    A system and method for enabling high-speed, low-latency global collective communications among interconnected processing nodes. The global collective network optimally enables collective reduction operations to be performed during parallel algorithm operations executing in a computer structure having a plurality of the interconnected processing nodes. Router devices ate included that interconnect the nodes of the network via links to facilitate performance of low-latency global processing operations at nodes of the virtual network and class structures. The global collective network may be configured to provide global barrier and interrupt functionality in asynchronous or synchronized manner. When implemented in a massively-parallel supercomputing structure, the global collective network is physically and logically partitionable according to needs of a processing algorithm.

  10. BOOK REVIEW: Computational Atomic Structure

    NASA Astrophysics Data System (ADS)

    Post, Douglass E.

    1998-02-01

    The primary purpose of `Computational Atomic Structure' is to give a potential user of the Multi-Configuration Hartree-Fock (MCHF) Atomic Structure Package an outline of the physics and computational methods in the package, guidance on how to use the package, and information on how to interpret and use the computational results. The book is successful in all three aspects. In addition, the book provides a good overview and review of the physics of atomic structure that would be useful to the plasma physicist interested in refreshing his knowledge of atomic structure and quantum mechanics. While most of the subjects are covered in greater detail in other sources, the book is reasonably self-contained, and, in most cases, the reader can understand the basic material without recourse to other sources. The MCHF package is the standard package for computing atomic structure and wavefunctions for single or multielectron ions and atoms. It is available from a number of ftp sites. When the code was originally written in FORTRAN 77, it could only be run on large mainframes. With the advances in computer technology, the suite of codes can now be compiled and run on present day workstations and personal computers and is thus available for use by any physicist, even those with extremely modest computing resources. Sample calculations in interactive mode are included in the book to illustrate the input needed for the code, what types of results and information the code can produce, and whether the user has installed the code correctly. The user can also specify the calculational level, from simple Hartree-Fock to multiconfiguration Hartree-Fock. The MCHF method begins by finding approximate wavefunctions for the bound states of an atomic system. This involves minimizing the energy of the bound state using a variational technique. Once the wavefunctions have been determined, other atomic properties, such as the transition rates, can be determined. The book begins with an

  11. Nuclear structure references coding manual

    SciTech Connect

    Ramavataram, S.; Dunford, C.L.

    1984-02-01

    This manual is intended as a guide to Nuclear Structure References (NSR) compilers. The basic conventions followed at the National Nuclear Data Center (NNDC), which are compatible with the maintenance and updating of and retrieval from the Nuclear Structure References (NSR) file, are outlined. The structure of the NSR file such as the valid record identifiers, record contents, text fields as well as the major topics for which (KEYWORDS) are prepared are ennumerated. Relevant comments regarding a new entry into the NSR file, assignment of (KEYNO ), generation of (SELECTRS) and linkage characteristics are also given. A brief definition of the Keyword abstract is given followed by specific examples; for each TOPIC, the criteria for inclusion of an article as an entry into the NSR file as well as coding procedures are described. Authors submitting articles to Journals which require Keyword abstracts should follow the illustrations. The scope of the literature covered at NNDC, the categorization into Primary and Secondary sources, etc. is discussed. Useful information regarding permitted character sets, recommended abbreviations, etc. is given.

  12. Collective network for computer structures

    DOEpatents

    Blumrich, Matthias A; Coteus, Paul W; Chen, Dong; Gara, Alan; Giampapa, Mark E; Heidelberger, Philip; Hoenicke, Dirk; Takken, Todd E; Steinmacher-Burow, Burkhard D; Vranas, Pavlos M

    2014-01-07

    A system and method for enabling high-speed, low-latency global collective communications among interconnected processing nodes. The global collective network optimally enables collective reduction operations to be performed during parallel algorithm operations executing in a computer structure having a plurality of the interconnected processing nodes. Router devices are included that interconnect the nodes of the network via links to facilitate performance of low-latency global processing operations at nodes of the virtual network. The global collective network may be configured to provide global barrier and interrupt functionality in asynchronous or synchronized manner. When implemented in a massively-parallel supercomputing structure, the global collective network is physically and logically partitionable according to the needs of a processing algorithm.

  13. Center for Computational Structures Technology

    NASA Technical Reports Server (NTRS)

    Noor, Ahmed K.; Perry, Ferman W.

    1995-01-01

    The Center for Computational Structures Technology (CST) is intended to serve as a focal point for the diverse CST research activities. The CST activities include the use of numerical simulation and artificial intelligence methods in modeling, analysis, sensitivity studies, and optimization of flight-vehicle structures. The Center is located at NASA Langley and is an integral part of the School of Engineering and Applied Science of the University of Virginia. The key elements of the Center are: (1) conducting innovative research on advanced topics of CST; (2) acting as pathfinder by demonstrating to the research community what can be done (high-potential, high-risk research); (3) strong collaboration with NASA scientists and researchers from universities and other government laboratories; and (4) rapid dissemination of CST to industry, through integration of industrial personnel into the ongoing research efforts.

  14. Nuclear Power Plant Concrete Structures

    SciTech Connect

    Basu, Prabir; Labbe, Pierre; Naus, Dan

    2013-01-01

    A nuclear power plant (NPP) involves complex engineering structures that are significant items of the structures, systems and components (SSC) important to the safe and reliable operation of the NPP. Concrete is the commonly used civil engineering construction material in the nuclear industry because of a number of advantageous properties. The NPP concrete structures underwent a great degree of evolution, since the commissioning of first NPP in early 1960. The increasing concern with time related to safety of the public and environment, and degradation of concrete structures due to ageing related phenomena are the driving forces for such evolution. The concrete technology underwent rapid development with the advent of chemical admixtures of plasticizer/super plasticizer category as well as viscosity modifiers and mineral admixtures like fly ash and silica fume. Application of high performance concrete (HPC) developed with chemical and mineral admixtures has been witnessed in the construction of NPP structures. Along with the beneficial effect, the use of admixtures in concrete has posed a number of challenges as well in design and construction. This along with the prospect of continuing operation beyond design life, especially after 60 years, the impact of extreme natural events ( as in the case of Fukushima NPP accident) and human induced events (e.g. commercial aircraft crash like the event of September 11th 2001) has led to further development in the area of NPP concrete structures. The present paper aims at providing an account of evolution of NPP concrete structures in last two decades by summarizing the development in the areas of concrete technology, design methodology and construction techniques, maintenance and ageing management of concrete structures.

  15. Advances and trends in computational structural mechanics

    NASA Technical Reports Server (NTRS)

    Noor, A. K.

    1986-01-01

    Recent developments in computational structural mechanics are reviewed with reference to computational needs for future structures technology, advances in computational models for material behavior, discrete element technology, assessment and control of numerical simulations of structural response, hybrid analysis, and techniques for large-scale optimization. Research areas in computational structural mechanics which have high potential for meeting future technological needs are identified. These include prediction and analysis of the failure of structural components made of new materials, development of computational strategies and solution methodologies for large-scale structural calculations, and assessment of reliability and adaptive improvement of response predictions.

  16. Nuclear structure functions at small x

    SciTech Connect

    Jalilian-Marian, Jamal

    2009-11-15

    I study the nuclear structure function F{sub 2}{sup A} and its logarithmic derivative in the high-energy limit (small-x region) using the color glass condensate formalism. In this limit the structure function F{sub 2} depends on the quark-antiquark dipole-target scattering cross section N{sub F}(x{sub bj},r{sub t},b{sub t}). The same dipole cross section appears in single-hadron and hadron-photon production cross sections in the forward rapidity region in deuteron (proton)-nucleus collisions at high energy, that is, at energies available at the BNL Relativistic Heavy Ion Collider (RHIC) and the CERN Large Hadron Collider (LHC). I use a parametrization of the dipole cross section, which has successfully been used to describe the deuteron-gold data at the RHIC, to compute the nuclear structure function F{sub 2}{sup A} and its log Q{sup 2} derivative (which is related to gluon distribution function in the double log limit). I provide a quantitative estimate of the nuclear shadowing of F{sub 2}{sup A} and the gluon distribution function in the kinematic region relevant to a future electron-ion collider.

  17. Computational Aspects of Heat Transfer in Structures

    NASA Technical Reports Server (NTRS)

    Adelman, H. M. (Compiler)

    1982-01-01

    Techniques for the computation of heat transfer and associated phenomena in complex structures are examined with an emphasis on reentry flight vehicle structures. Analysis methods, computer programs, thermal analysis of large space structures and high speed vehicles, and the impact of computer systems are addressed.

  18. Computer Information System For Nuclear Medicine

    NASA Astrophysics Data System (ADS)

    Cahill, P. T.; Knowles, R. J.....; Tsen, O.

    1983-12-01

    To meet the complex needs of a nuclear medicine division serving a 1100-bed hospital, a computer information system has been developed in sequential phases. This database management system is based on a time-shared minicomputer linked to a broadband communications network. The database contains information on patient histories, billing, types of procedures, doses of radiopharmaceuticals, times of study, scanning equipment used, and technician performing the procedure. These patient records are cycled through three levels of storage: (a) an active file of 100 studies for those patients currently scheduled, (b) a temporary storage level of 1000 studies, and (c) an archival level of 10,000 studies containing selected information. Merging of this information with reports and various statistical analyses are possible. This first phase has been in operation for well over a year. The second phase is an upgrade of the size of the various storage levels by a factor of ten.

  19. Nuclear Forces and High-Performance Computing: The Perfect Match

    SciTech Connect

    Luu, T; Walker-Loud, A

    2009-06-12

    High-performance computing is now enabling the calculation of certain nuclear interaction parameters directly from Quantum Chromodynamics, the quantum field theory that governs the behavior of quarks and gluons and is ultimately responsible for the nuclear strong force. We briefly describe the state of the field and describe how progress in this field will impact the greater nuclear physics community. We give estimates of computational requirements needed to obtain certain milestones and describe the scientific and computational challenges of this field.

  20. Theory and computation of nuclear magnetic resonance parameters.

    PubMed

    Vaara, Juha

    2007-10-28

    The art of quantum chemical electronic structure calculation has over the last 15 years reached a point where systematic computational studies of magnetic response properties have become a routine procedure for molecular systems. One of their most prominent areas of application are the spectral parameters of nuclear magnetic resonance (NMR) spectroscopy, due to the immense importance of this experimental method in many scientific disciplines. This article attempts to give an overview on the theory and state-of-the-art of the practical computations in the field, in terms of the size of systems that can be treated, the accuracy that can be expected, and the various factors that would influence the agreement of even the most accurate imaginable electronic structure calculation with experiment. These factors include relativistic effects, thermal effects, as well as solvation/environmental influences, where my group has been active. The dependence of the NMR spectra on external magnetic and optical fields is also briefly touched on. PMID:17925967

  1. Opportunities in nuclear structure and reactions

    NASA Astrophysics Data System (ADS)

    Nunes, Filomena

    2015-10-01

    The last decade has seen important advances in the area of low energy nuclear physics. New measurements have provided crucial insight into the behavior of nuclei at the limits of stability, including the mapping of the neutron dripline up to Oxygen, investigations of unbound nuclear states, and the discovery of new super-heavy elements. In parallel we have seen a revolution in low-energy nuclear theory, moving toward quantified predictability, rooted in the underlying inter-nucleon forces. But the next decade offers even more opportunities with a new generation factory of rare isotopes, and the anticipated developments in high performance computing. The Facility for Rare Isotope Beams coupled with new state-of-the-art detectors will allow us to access a large fraction of the necessary information for the r-process responsible for making at least half of the heavy elements in our universe. FRIB will provide the needed intensities to study global nuclear properties, shell structure, and collective phenomena far from stability. Key measurements are anticipated, at various facilities, which will inform symmetry tests with rare isotopes. We expect to put strict constraints on the equation of state. These and many other opportunities will be highlighted in this overview talk.

  2. Computer applications for engineering/structural analysis. Revision 1

    SciTech Connect

    Zaslawsky, M.; Samaddar, S.K.

    1991-12-31

    Analysts and organizations have a tendency to lock themselves into specific codes with the obvious consequences of not addressing the real problem and thus reaching the wrong conclusion. This paper discusses the role of the analyst in selecting computer codes. The participation and support of a computation division in modifying the source program, configuration management, and pre- and post-processing of codes are among the subjects discussed. Specific examples illustrating the computer code selection process are described in the following problem areas: soil structure interaction, structural analysis of nuclear reactors, analysis of waste tanks where fluid structure interaction is important, analysis of equipment, structure-structure interaction, analysis of the operation of the superconductor supercollider which includes friction and transient temperature, and 3D analysis of the 10-meter telescope being built in Hawaii. Validation and verification of computer codes and their impact on the selection process are also discussed.

  3. Application of modern computer technology to EPRI (Electric Power Research Institute) nuclear computer programs: Final report

    SciTech Connect

    Feinauer, L.R.

    1989-08-01

    Many of the nuclear analysis programs in use today were designed and developed well over a decade ago. Within this time frame, tremendous changes in hardware and software technologies have made it necessary to revise and/or restructure most of the analysis programs to take advantage of these changes. As computer programs mature from the development phase to being production programs, program maintenance and portability become very important issues. The maintenance costs associated with a particular computer program can generally be expected to exceed the total development costs by as much as a factor of two. Many of the problems associated with high maintenance costs can be traced back to either poorly designed coding structure, or ''quick fix'' modifications which do not preserve the original coding structure. The lack of standardization between hardware designs presents an obstacle to the software designer in providing 100% portable coding; however, conformance to certain guidelines can ensure portability between a wide variety of machines and operating systems. This report presents guidelines for upgrading EPRI nuclear computer programs to conform to current programming standards while maintaining flexibility for accommodating future hardware and software design trends. Guidelines for development of new computer programs are also presented. 22 refs., 10 figs.

  4. Microscopic Approaches to Nuclear Structure: Configuration Interaction

    SciTech Connect

    Ormand, W E

    2007-09-21

    The configuration interaction (CI) approach to solving the nuclear many-body problem, also known as the interacting shell model, has proven to be powerful tool in understanding the structure of nuclei. The principal criticism of past applications of the shell model is the reliance on empirical tuning to interaction matrix elements. If an accurate description of nuclei far from the valley of stability, where little or no data is available, a more fundamental approach is needed. This starts with recent ab initio approaches with effective interactions in the no-core shell model (NCSM). Using effective-field theory for guidance, fully ab initio descriptions of nuclei up to {sup 16}O with QCD based NN, NNN, and NNNN interactions will be possible within the next five years. An important task is then to determine how to use these NCSM results to develop effective interactions to describe heavier nuclei without the need to resort to an empirical retuning with every model space. Thus, it is likely that more traditional CI applications utilizing direct diagonalization and more fundamental interactions will be applicable to nuclei with perhaps up to one hundred constituents. But, these direct diagonalization CI applications will always be computationally limited due to the rapid increase in the number of configurations with particle number. Very recently, the shifted-contour method has been applied to the Auxiliary-field Monte Carlo approach to the Shell Model (AFMCSM), and preliminary applications exhibit a remarkable taming of the notorious sign problem. If the mitigation of the sign problem holds true, the AFMCSM will offer a method to compute quantum correlations to mean-field applications for just about all nuclei; giving exact results for CI model spaces that can approach 10{sup 20-25}. In these lectures, I will discuss modern applications of CI to the nuclear many-body problem that have the potential to guide nuclear structure theory into the next decade.

  5. Ab initio methods for nuclear properties - a computational physics approach

    NASA Astrophysics Data System (ADS)

    Maris, Pieter

    2011-04-01

    A microscopic theory for the structure and reactions of light nuclei poses formidable challenges for high-performance computing. Several ab-initio methods have now emerged that provide nearly exact solutions for some nuclear properties. The ab-initio no-core full configuration (NCFC) approach is based on basis space expansion methods and uses Slater determinants of single-nucleon basis functions to express the nuclear wave function. In this approach, the quantum many-particle problem becomes a large sparse matrix eigenvalue problem. The eigenvalues of this matrix give us the binding energies, and the corresponding eigenvectors the nuclear wave functions. These wave functions can be employed to evaluate experimental quantities. In order to reach numerical convergence for fundamental problems of interest, the matrix dimension often exceeds 1 billion, and the number of nonzero matrix elements may saturate available storage on present-day leadership class facilities. I discuss different strategies for distributing and solving this large sparse matrix on current multicore computer architectures, including methods to deal with with memory bottleneck. Several of these strategies have been implemented in the code MFDn, which is a parallel fortran code for nuclear structure calculations. I will show scaling behavior and compare the performance of the pure MPI version with the hybrid MPI/OpenMP code on Cray XT4 and XT5 platforms. For large core counts (typically 5,000 and above), the hybrid version is more efficient than pure MPI. With this code, we have been able to predict properties of the unstable nucleus 14F, which have since been confirmed by experiments. I will also give an overview of other recent results for nuclei in the A = 6 to 16 range with 2- and 3-body interactions. Supported in part by US DOE Grant DE-FC02-09ER41582.

  6. Spent nuclear fuel assembly inspection using neutron computed tomography

    NASA Astrophysics Data System (ADS)

    Pope, Chad Lee

    The research presented here focuses on spent nuclear fuel assembly inspection using neutron computed tomography. Experimental measurements involving neutron beam transmission through a spent nuclear fuel assembly serve as benchmark measurements for an MCNP simulation model. Comparison of measured results to simulation results shows good agreement. Generation of tomography images from MCNP tally results was accomplished using adapted versions of built in MATLAB algorithms. Multiple fuel assembly models were examined to provide a broad set of conclusions. Tomography images revealing assembly geometric information including the fuel element lattice structure and missing elements can be obtained using high energy neutrons. A projection difference technique was developed which reveals the substitution of unirradiated fuel elements for irradiated fuel elements, using high energy neutrons. More subtle material differences such as altering the burnup of individual elements can be identified with lower energy neutrons provided the scattered neutron contribution to the image is limited. The research results show that neutron computed tomography can be used to inspect spent nuclear fuel assemblies for the purpose of identifying anomalies such as missing elements or substituted elements. The ability to identify anomalies in spent fuel assemblies can be used to deter diversion of material by increasing the risk of early detection as well as improve reprocessing facility operations by confirming the spent fuel configuration is as expected or allowing segregation if anomalies are detected.

  7. Nuclear Structure in China 2010

    NASA Astrophysics Data System (ADS)

    Bai, Hong-Bo; Meng, Jie; Zhao, En-Guang; Zhou, Shan-Gui

    2011-08-01

    Personal view on nuclear physics research / Jie Meng -- High-spin level structures in [symbol]Zr / X. P. Cao ... [et al.] -- Constraining the symmetry energy from the neutron skin thickness of tin isotopes / Lie-Wen Chen ... [et al.] -- Wobbling rotation in atomic nuclei / Y. S. Chen and Zao-Chun Gao -- The mixing of scalar mesons and the possible nonstrange dibaryons / L. R. Dai ... [et al.] -- Net baryon productions and gluon saturation in the SPS, RHIC and LHC energy regions / Sheng-Qin Feng -- Production of heavy isotopes with collisions between two actinide nuclides / Z. Q. Feng ... [et al.] -- The projected configuration interaction method / Zao-Chun Gao and Yong-Shou Chen -- Applications of Nilsson mean-field plus extended pairing model to rare-earth nuclei / Xin Guan ... [et al.] -- Complex scaling method and the resonant states / Jian-You Guo ... [et al.] -- Probing the equation of state by deep sub-barrier fusion reactions / Hong-Jun Hao and Jun-Long Tian -- Doublet structure study in A[symbol]105 mass region / C. Y. He ... [et al.] -- Rotational bands in transfermium nuclei / X. T. He -- Shape coexistence and shape evolution [symbol]Yb / H. Hua ... [et al.] -- Multistep shell model method in the complex energy plane / R. J. Liotta -- The evolution of protoneutron stars with kaon condensate / Ang Li -- High spin structures in the [symbol]Lu nucleus / Li Cong-Bo ... [et al.] -- Nuclear stopping and equation of state / QingFeng Li and Ying Yuan -- Covariant description of the low-lying states in neutron-deficient Kr isotopes / Z. X. Li ... [et al.] -- Isospin corrections for superallowed [symbol] transitions / HaoZhao Liang ... [et al.] -- The positive-parity band structures in [symbol]Ag / C. Liu ... [et al.] -- New band structures in odd-odd [symbol]I and [symbol]I / Liu GongYe ... [et al.] -- The sd-pair shell model and interacting boson model / Yan-An Luo ... [et al.] -- Cross-section distributions of fragments in the calcium isotopes projectile

  8. Nuclear Structure in China 2010

    NASA Astrophysics Data System (ADS)

    Bai, Hong-Bo; Meng, Jie; Zhao, En-Guang; Zhou, Shan-Gui

    2011-08-01

    Personal view on nuclear physics research / Jie Meng -- High-spin level structures in [symbol]Zr / X. P. Cao ... [et al.] -- Constraining the symmetry energy from the neutron skin thickness of tin isotopes / Lie-Wen Chen ... [et al.] -- Wobbling rotation in atomic nuclei / Y. S. Chen and Zao-Chun Gao -- The mixing of scalar mesons and the possible nonstrange dibaryons / L. R. Dai ... [et al.] -- Net baryon productions and gluon saturation in the SPS, RHIC and LHC energy regions / Sheng-Qin Feng -- Production of heavy isotopes with collisions between two actinide nuclides / Z. Q. Feng ... [et al.] -- The projected configuration interaction method / Zao-Chun Gao and Yong-Shou Chen -- Applications of Nilsson mean-field plus extended pairing model to rare-earth nuclei / Xin Guan ... [et al.] -- Complex scaling method and the resonant states / Jian-You Guo ... [et al.] -- Probing the equation of state by deep sub-barrier fusion reactions / Hong-Jun Hao and Jun-Long Tian -- Doublet structure study in A[symbol]105 mass region / C. Y. He ... [et al.] -- Rotational bands in transfermium nuclei / X. T. He -- Shape coexistence and shape evolution [symbol]Yb / H. Hua ... [et al.] -- Multistep shell model method in the complex energy plane / R. J. Liotta -- The evolution of protoneutron stars with kaon condensate / Ang Li -- High spin structures in the [symbol]Lu nucleus / Li Cong-Bo ... [et al.] -- Nuclear stopping and equation of state / QingFeng Li and Ying Yuan -- Covariant description of the low-lying states in neutron-deficient Kr isotopes / Z. X. Li ... [et al.] -- Isospin corrections for superallowed [symbol] transitions / HaoZhao Liang ... [et al.] -- The positive-parity band structures in [symbol]Ag / C. Liu ... [et al.] -- New band structures in odd-odd [symbol]I and [symbol]I / Liu GongYe ... [et al.] -- The sd-pair shell model and interacting boson model / Yan-An Luo ... [et al.] -- Cross-section distributions of fragments in the calcium isotopes projectile

  9. Nuclear Structure Data for the Present Age

    NASA Astrophysics Data System (ADS)

    Baglin, Coral M.

    2005-05-01

    The US Nuclear Data Program maintains and provides easy and free access to several comprehensive databases that assist scientists to sift through and assess the vast quantity of published nuclear structure and decay data. These databases are an invaluable asset for nuclear-science experimentalists and theorists alike, and the recommended values provided for nuclear properties such as decay modes, level energies and lifetimes, and radiation properties can also be of great importance to specialists in other fields such as medicine, geophysics, and reactor design. The Evaluated Nuclear Structure Data File (ENSDF) contains experimental nuclear structure data for all known nuclides, evaluated by the US nuclear data program evaluators in collaboration with a number of international data groups; the Nuclear Science Reference (NSR) database provides complementary bibliographic information; the Experimental Unevaluated Nuclear Data Listing (XUNDL) exists to enable rapid access to experimental nuclear-structure data compiled from the most recent publications (primarily in high-spin physics). This paper presents an overview of the nuclear structure and decay data available through these databases, with emphasis on recent and forthcoming additions to and presentations of the available material.

  10. Theoretical studies in nuclear reactions and nuclear structure

    SciTech Connect

    Not Available

    1992-05-01

    Research in the Maryland Nuclear Theory Group focusses on problems in four basic areas of current relevance. Hadrons in nuclear matter; the structure of hadrons; relativistic nuclear physics and heavy ion dynamics and related processes. The section on hadrons in nuclear matter groups together research items which are aimed at exploring ways in which the properties of nucleons and the mesons which play a role in the nuclear force are modified in the nuclear medium. A very interesting result has been the finding that QCD sum rules supply a new insight into the decrease of the nucleon's mass in the nuclear medium. The quark condensate, which characterizes spontaneous chiral symmetry breaking of the late QCD vacuum, decreases in nuclear matter and this is responsible for the decrease of the nucleon's mass. The section on the structure of hadrons contains progress reports on our research aimed at understanding the structure of the nucleon. Widely different approaches are being studied, e.g., lattice gauge calculations, QCD sum rules, quark-meson models with confinement and other hedgehog models. A major goal of this type of research is to develop appropriate links between nuclear physics and QCD. The section on relativistic nuclear physics represents our continuing interest in developing an appropriate relativistic framework for nuclear dynamics. A Lorentz-invariant description of the nuclear force suggests a similar decrease of the nucleon's mass in the nuclear medium as has been found from QCD sum rules. Work in progress extends previous successes in elastic scattering to inelastic scattering of protons by nuclei. The section on heavy ion dynamics and related processes reports on research into the e{sup +}e{sup {minus}} problem and heavy ion dynamics.

  11. Theoretical studies in nuclear reactions and nuclear structure. Progress report

    SciTech Connect

    Not Available

    1992-05-01

    Research in the Maryland Nuclear Theory Group focusses on problems in four basic areas of current relevance. Hadrons in nuclear matter; the structure of hadrons; relativistic nuclear physics and heavy ion dynamics and related processes. The section on hadrons in nuclear matter groups together research items which are aimed at exploring ways in which the properties of nucleons and the mesons which play a role in the nuclear force are modified in the nuclear medium. A very interesting result has been the finding that QCD sum rules supply a new insight into the decrease of the nucleon`s mass in the nuclear medium. The quark condensate, which characterizes spontaneous chiral symmetry breaking of the late QCD vacuum, decreases in nuclear matter and this is responsible for the decrease of the nucleon`s mass. The section on the structure of hadrons contains progress reports on our research aimed at understanding the structure of the nucleon. Widely different approaches are being studied, e.g., lattice gauge calculations, QCD sum rules, quark-meson models with confinement and other hedgehog models. A major goal of this type of research is to develop appropriate links between nuclear physics and QCD. The section on relativistic nuclear physics represents our continuing interest in developing an appropriate relativistic framework for nuclear dynamics. A Lorentz-invariant description of the nuclear force suggests a similar decrease of the nucleon`s mass in the nuclear medium as has been found from QCD sum rules. Work in progress extends previous successes in elastic scattering to inelastic scattering of protons by nuclei. The section on heavy ion dynamics and related processes reports on research into the e{sup +}e{sup {minus}} problem and heavy ion dynamics.

  12. EVALUATED NUCLEAR STRUCTURE DATA FILE -- A MANUAL FOR PREPARATION OF DATA SETS.

    SciTech Connect

    TULI, J.K.

    2001-02-01

    This manual describes the organization and structure of the Evaluated Nuclear Structure Data File (ENSDF). This computer-based file is maintained by the National Nuclear Data Center (NNDC) at Brookhaven National Laboratory for the international Nuclear Structure and Decay Data Network. For every mass number (presently, A {le} 293), the Evaluated Nuclear Structure Data File (ENSDF) contains evaluated structure information. For masses A {ge} 44, this information is published in the Nuclear Data Sheets; for A < 44, ENSDF is based on compilations published in the journal Nuclear Physics. The information in ENSDF is updated by mass chain or by nuclide with a varying cycle time dependent on the availability of new information.

  13. Evaluated nuclear structure data file: A manual for preparation of data sets

    SciTech Connect

    Tuli, J.K.

    1987-04-01

    This manual describes the organization and structure of the Evaluated Nuclear Structure Data File (ENSDF). This computer-based file is maintained by the National Nuclear Data Center (NNDC) at Brookhaven National Laboratory for the international Nuclear Structure and Decay Data Network. For every mass number (presently, Aless than or equal to263), the Evaluated Nuclear Structure Data File (ENSDF) contains evaluated structure information. For masses Agreater than or equal to45, this information is documented in the Nuclear Data Sheets; for A<45, ENSDF is based on compilations published in the journal Nuclear Physics. The information in ENSDF is updated by mass chains with a present cycle time of approximately six years.

  14. Nuclear structure studies with intermediate energy probes

    SciTech Connect

    Lee, T.S.H.

    1993-10-01

    Nuclear structure studies with pions are reviewed. Results from a recent study of 1 p-shell nuclei using (e,e{prime}), ({pi}, {pi}{prime}), and ({gamma},{pi}) reactions are reported. Future nuclear structure studies with GeV electrons at CEBAF are also briefly discussed.

  15. Nuclear structure, gene expression and development.

    PubMed

    Brown, K

    1999-01-01

    This article considers the extent to which features of nuclear structure are involved in the regulation of genome function. The recent renaissance in imaging technology has inspired a new determination to assign specific functions to nuclear domains or structures, many of which have been described as "factories" to express the idea that they coordinate nuclear processes in an efficient way. Visual data have been combined with genetic and biochemical information to support the idea that nuclear organization has functional significance. Particular DNA sequences or chromatin structures may nucleate domains that are permissive or restrictive of transcription, to which active or inactive loci could be recruited. Associations within the nucleus, as well as many nuclear structures, are transient and change dynamically during cell cycle progression and development. Despite this complexity, elucidation of the possible structural basis of epigenetic phenomena, such as the inheritance of a "cellular memory" of gene expression status, is an important goal for cell biology. Topics for discussion include the regulatory effect of chromatin structure on gene expression, putative "nuclear addresses" for genes and proteins, the functional significance of nuclear bodies, and the role of the nuclear matrix in nuclear compartmentalization. PMID:10651237

  16. Computational templates for introductory nuclear science using mathcad

    NASA Astrophysics Data System (ADS)

    Sarantites, D. G.; Sobotka, L. G.

    2013-01-01

    Computational templates used to teach an introductory course in nuclear chemistry and physics at Washington University in St. Louis are presented in brief. The templates cover both basic and applied topics.

  17. Computational Study of Low Energy Nuclear Scattering from Metal Nuclei

    NASA Astrophysics Data System (ADS)

    Jaramillo, Danelle; Hira, Ajit; Pacheco, Jose; Salazar, Justin

    2014-03-01

    We continue our interest in the interactions between different nuclear species with a computational study of the scattering of the low-energy nuclei of H through F atoms (Z <= 9) from Palladium, Nickel and other metals. First, a FORTRAN computer program was developed to compute stopping cross sections and scattering angles in Pd and other metals for the small nuclear projectiles, using Monte Carlo calculation. This code allows for different angles of incidence. Next, simulations were done in the energy interval from 10 to 140 keV. The computational results thus obtained are compared with relevant experimental data. The data are further analyzed to identify periodic trends in terms of the atomic number of the projectile. Such studies have potential applications in nuclear physics and in nuclear medicine.

  18. Introduction to the computational structural mechanics testbed

    NASA Technical Reports Server (NTRS)

    Lotts, C. G.; Greene, W. H.; Mccleary, S. L.; Knight, N. F., Jr.; Paulson, S. S.; Gillian, R. E.

    1987-01-01

    The Computational Structural Mechanics (CSM) testbed software system based on the SPAR finite element code and the NICE system is described. This software is denoted NICE/SPAR. NICE was developed at Lockheed Palo Alto Research Laboratory and contains data management utilities, a command language interpreter, and a command language definition for integrating engineering computational modules. SPAR is a system of programs used for finite element structural analysis developed for NASA by Lockheed and Engineering Information Systems, Inc. It includes many complementary structural analysis, thermal analysis, utility functions which communicate through a common database. The work on NICE/SPAR was motivated by requirements for a highly modular and flexible structural analysis system to use as a tool in carrying out research in computational methods and exploring computer hardware. Analysis examples are presented which demonstrate the benefits gained from a combination of the NICE command language with a SPAR computational modules.

  19. Global nuclear-structure calculations

    SciTech Connect

    Moeller, P.; Nix, J.R.

    1990-04-20

    The revival of interest in nuclear ground-state octupole deformations that occurred in the 1980's was stimulated by observations in 1980 of particularly large deviations between calculated and experimental masses in the Ra region, in a global calculation of nuclear ground-state masses. By minimizing the total potential energy with respect to octupole shape degrees of freedom in addition to {epsilon}{sub 2} and {epsilon}{sub 4} used originally, a vastly improved agreement between calculated and experimental masses was obtained. To study the global behavior and interrelationships between other nuclear properties, we calculate nuclear ground-state masses, spins, pairing gaps and {Beta}-decay and half-lives and compare the results to experimental qualities. The calculations are based on the macroscopic-microscopic approach, with the microscopic contributions calculated in a folded-Yukawa single-particle potential.

  20. Computational composite mechanics for aerospace propulsion structures

    NASA Technical Reports Server (NTRS)

    Chamis, C. C.

    1986-01-01

    Specialty methods are presented for the computational simulation of specific composite behavior. These methods encompass all aspects of composite mechanics, impact, progressive fracture and component specific simulation. Some of these methods are structured to computationally simulate, in parallel, the composite behavior and history from the initial fabrication through several missions and even to fracture. Select methods and typical results obtained from such simulations are described in detail in order to demonstrate the effectiveness of computationally simulating (1) complex composite structural behavior in general and (2) specific aerospace propulsion structural components in particular.

  1. Computational composite mechanics for aerospace propulsion structures

    NASA Technical Reports Server (NTRS)

    Chamis, Christos C.

    1987-01-01

    Specialty methods are presented for the computational simulation of specific composite behavior. These methods encompass all aspects of composite mechanics, impact, progressive fracture and component specific simulation. Some of these methods are structured to computationally simulate, in parallel, the composite behavior and history from the initial frabrication through several missions and even to fracture. Select methods and typical results obtained from such simulations are described in detail in order to demonstrate the effectiveness of computationally simulating: (1) complex composite structural behavior in general, and (2) specific aerospace propulsion structural components in particular.

  2. Parallel computations and control of adaptive structures

    NASA Technical Reports Server (NTRS)

    Park, K. C.; Alvin, Kenneth F.; Belvin, W. Keith; Chong, K. P. (Editor); Liu, S. C. (Editor); Li, J. C. (Editor)

    1991-01-01

    The equations of motion for structures with adaptive elements for vibration control are presented for parallel computations to be used as a software package for real-time control of flexible space structures. A brief introduction of the state-of-the-art parallel computational capability is also presented. Time marching strategies are developed for an effective use of massive parallel mapping, partitioning, and the necessary arithmetic operations. An example is offered for the simulation of control-structure interaction on a parallel computer and the impact of the approach presented for applications in other disciplines than aerospace industry is assessed.

  3. Dynamic testing of nuclear power plant structures: an evaluation

    SciTech Connect

    Weaver, H.J.

    1980-02-01

    Lawrence Livermore Laboratory (LLL) evaluated the applications of system identification techniques to the dynamic testing of nuclear power plant structures and subsystems. These experimental techniques involve exciting a structure and measuring, digitizing, and processing the time-history motions that result. The data can be compared to parameters calculated using finite element or other models of the test systems to validate the model and to verify the seismic analysis. This report summarizes work in three main areas: (1) analytical qualification of a set of computer programs developed at LLL to extract model parameters from the time histories; (2) examination of the feasibility of safely exciting nuclear power plant structures and accurately recording the resulting time-history motions; (3) study of how the model parameters that are extracted from the data be used best to evaluate structural integrity and analyze nuclear power plants.

  4. QCD structure of nuclear interactions

    NASA Astrophysics Data System (ADS)

    Granados, Carlos G.

    The research presented in this dissertation investigated selected processes involving baryons and nuclei in hard scattering reactions. These processes are characterized by the production of particles with large energies and transverse momenta. Through these processes, this work explored both, the constituent (quark) structure of baryons (specifically nucleons and Delta-Isobars), and the mechanisms through which the interactions between these constituents ultimately control the selected reactions. The first of such reactions is the hard nucleon-nucleon elastic scattering, which was studied here considering the quark exchange between the nucleons to be the dominant mechanism of interaction in the constituent picture. In particular, it was found that an angular asymmetry exhibited by proton-neutron elastic scattering data is explained within this framework if a quark-diquark picture dominates the nucleon's structure instead of a more traditional SU(6) three quarks picture. The latter yields an asymmetry around 90o center of mass scattering with a sign opposite to what is experimentally observed. The second process is the hard breakup by a photon of a nucleon-nucleon system in light nuclei. Proton-proton (pp) and proton-neutron (pn) breakup in 3He, and DeltaDelta-isobars production in deuteron breakup were analyzed in the hard rescattering model (HRM), which in conjunction with the quark interchange mechanism provides a Quantum Chromodynamics (QCD) description of the reaction. Through the HRM, cross sections for both channels in 3He photodisintegration were computed without the need of a fitting parameter. The results presented here for pp breakup show excellent agreement with recent experimental data. In DeltaDelta-isobars production in deuteron breakup, HRM angular distributions for the two DeltaDelta channels were compared to the pn channel and to each other. An important prediction fromthis study is that the Delta++Delta- channel consistently dominates Delta+Delta0

  5. Computational Chemistry Using Modern Electronic Structure Methods

    ERIC Educational Resources Information Center

    Bell, Stephen; Dines, Trevor J.; Chowdhry, Babur Z.; Withnall, Robert

    2007-01-01

    Various modern electronic structure methods are now days used to teach computational chemistry to undergraduate students. Such quantum calculations can now be easily used even for large size molecules.

  6. Computes Generalized Electromagnetic Interactions Between Structures

    1999-02-20

    Object oriented software for computing generalized electromagnetic interactions between structures in the frequency domains. The software is based on integral equations. There is also a static integral equation capability.

  7. A Nuclear Reactions Primer with Computers.

    ERIC Educational Resources Information Center

    Calle, Carlos I.; Roach, Jennifer A.

    1987-01-01

    Described is a microcomputer software program NUCLEAR REACTIONS designed for college level students and in use at Sweet Briar College (Sweet Briar, VA). The program is written in Microsoft Basic Version 2.1 for the Apple Macintosh Microcomputer. It introduces two conservation principles: (1) conservation of charge; and (2) conservation of nucleon…

  8. The AMEDEE Nuclear Structure Database

    SciTech Connect

    Hilaire, S.; Girod, M.

    2008-05-12

    The increasing need for nuclear data far from the valley of stability requires information on nuclei which cannot be accessed experimentally or for which almost no experimental data is known. Consequently, the use of microscopic approaches to predict properties of such poorly known nuclei is necessary as a first step to improve our understanding of nuclear reaction on exotic nuclei. Within this context, large scale axial mean field calculations from proton to neutron drip-lines have been performed using the Hartree-Fock-Bogoliubov method based on the DIS Gogny nucleon-nucleon effective interaction. Nearly 7000 nuclei have been studied under the axial symmetry hypothesis and several properties are now available for the nuclear scientific community on an Internet web site for every individual nucleus.

  9. Computing with structured connections networks. Technical report

    SciTech Connect

    Feldman, J.A.; Fanty, M.A.; Goddard, N.; Lynne, K.

    1987-04-01

    Rapid advances both in the neurosciences and in computer science are beginning to lead to a new interest in computational models linking animal brains and behavior. In computer science, there is a large and growing body of knowledge about parallel computation and another, largely separate, science of artificial intelligence. The idea of looking directly at massively parallel realizations of intelligent activity promises to be fruitful for the study of both natural and artificial computations. Much attention has been directed towards the biological implications of this interdisciplinary effort, but there are equally important relations with computational theory, hardware and software. This article focuses on the design and use of massively parallel computational models, particularly in artificial intelligence. Much of the recent work on massively parallel computation has been carried out by physicists and examines the emergent behavior of large, unstructured collections of computing units. We are more concerned with how one can design, realize and analyze networks that embody the specific computational structures needed to solve hard problems. Adaptation and learning are treated as ways to improve structured networks, not as a replacement for analysis and design.

  10. New method for calculation of nuclear cluster structure of nuclei

    SciTech Connect

    Ibishi, A.I.

    2005-05-06

    In the calculations of the many-nucleon bound states, using the realistic nucleon-nucleon potential, and a three- and four-nucleon potential, the Exact Many-Body Nuclear Cluster Model (EMBNCM) was found to give accurate results, that converege much more rapidly, than those obtained by the Faddeev equation calculations. With the use of realistic nucleon-nucleon potentials, and many-nucleon potentials, containing strong tensor, Majorana, and repulsive core components, the many-body cluster structure of 16O, 27Al, 44Ti, and 48Ti is discussed. In 27Al(p,x)Na reactions we assume that two different nuclear cluster structures of 27Al, gives us two different isotopes of Na: 22Na and 24Na. But the most important result is the existence of two different permutations symmetries of 27Al. Using new method for calculation of nuclear cluster structure of 27Al, we have found two different nuclear cluster structures of 27Al: 24Na+3He and 25Na+d. The internal nuclear cluster wave functions of different nuclear cluster models (nuclear cluster isomers) of the same isotope are not equivalent, if we take into account Many-Body Nuclear Forces, such as 3BF and 4BF. The core clusters of 16O, 27Al, 44Ti, and 48Ti nuclei have a trigonal-pyramide Td, D2d, and C3v symmetry, while exterior clusters in 16O and 27Al[(24Na +3 He)model] nuclei have a trigonal symmetry C2v, and D3h. We have developed a new system of Jacobi coordinates for our EMBNCM model with the symmetry above. The new computer code for determination of direct nuclear cluster reactions has been written in Mathematica 5 programming language. We have found a high level of dependence of the nuclear cluster wave functions from the center of mass and cluster effects.

  11. Probabilistic Computer Analysis for Rapid Evaluation of Structures.

    2007-03-29

    P-CARES 2.0.0, Probabilistic Computer Analysis for Rapid Evaluation of Structures, was developed for NRC staff use to determine the validity and accuracy of the analysis methods used by various utilities for structural safety evaluations of nuclear power plants. P-CARES provides the capability to effectively evaluate the probabilistic seismic response using simplified soil and structural models and to quickly check the validity and/or accuracy of the SSI data received from applicants and licensees. The code ismore » organized in a modular format with the basic modules of the system performing static, seismic, and nonlinear analysis.« less

  12. Probabilistic Computer Analysis for Rapid Evaluation of Structures.

    SciTech Connect

    XU, JIM

    2007-03-29

    P-CARES 2.0.0, Probabilistic Computer Analysis for Rapid Evaluation of Structures, was developed for NRC staff use to determine the validity and accuracy of the analysis methods used by various utilities for structural safety evaluations of nuclear power plants. P-CARES provides the capability to effectively evaluate the probabilistic seismic response using simplified soil and structural models and to quickly check the validity and/or accuracy of the SSI data received from applicants and licensees. The code is organized in a modular format with the basic modules of the system performing static, seismic, and nonlinear analysis.

  13. Supporting the future nuclear workforce with computer-based procedures

    DOE PAGESBeta

    Oxstrand, Johanna; Le Blanc, Katya

    2016-05-01

    Here we see that computer-based tools have dramatically increased ease and efficiency of everyday tasks. Gone are the days of paging through a paper catalog, transcribing product numbers, and calculating totals. Today, a consumer can find a product online with a simple search engine, and then purchase it in a matter of a few clicks. Paper catalogs have their place, but it is hard to imagine life without on-line shopping sites. All tasks conducted in a nuclear power plant are guided by procedures, which helps ensure safe and reliable operation of the plants. One prominent goal of the nuclear industrymore » is to minimize the risk of human errors. To achieve this goal one has to ensure tasks are correctly and consistently executed. This is partly achieved by training and by a structured approach to task execution, which is provided by procedures and work instructions. Procedures are used in the nuclear industry to direct workers' actions in a proper sequence. The governing idea is to minimize the reliance on memory and choices made in the field. However, the procedure document may not contain sufficient information to successfully complete the task. Therefore, the worker might have to carry additional documents such as turnover sheets, operation experience, drawings, and other procedures to the work site. The nuclear industry is operated with paper procedures like paper catalogs of the past. A field worker may carry a large stack of documents needed to complete a task to the field. Even though the paper process has helped keep the industry safe for decades, there are limitations to using paper. Paper procedures are static (i.e., the content does not change after the document is printed), difficult to search, and rely heavily on the field worker’s situational awareness and ability to consistently meet the high expectation of human performance excellence. With computer-based procedures (CBPs) that stack of papers may be reduced to the size of a small tablet or even

  14. Paralel Multiphysics Algorithms and Software for Computational Nuclear Engineering

    SciTech Connect

    D. Gaston; G. Hansen; S. Kadioglu; D. A. Knoll; C. Newman; H. Park; C. Permann; W. Taitano

    2009-08-01

    There is a growing trend in nuclear reactor simulation to consider multiphysics problems. This can be seen in reactor analysis where analysts are interested in coupled flow, heat transfer and neutronics, and in fuel performance simulation where analysts are interested in thermomechanics with contact coupled to species transport and chemistry. These more ambitious simulations usually motivate some level of parallel computing. Many of the coupling efforts to date utilize simple 'code coupling' or first-order operator splitting, often referred to as loose coupling. While these approaches can produce answers, they usually leave questions of accuracy and stability unanswered. Additionally, the different physics often reside on separate grids which are coupled via simple interpolation, again leaving open questions of stability and accuracy. Utilizing state of the art mathematics and software development techniques we are deploying next generation tools for nuclear engineering applications. The Jacobian-free Newton-Krylov (JFNK) method combined with physics-based preconditioning provide the underlying mathematical structure for our tools. JFNK is understood to be a modern multiphysics algorithm, but we are also utilizing its unique properties as a scale bridging algorithm. To facilitate rapid development of multiphysics applications we have developed the Multiphysics Object-Oriented Simulation Environment (MOOSE). Examples from two MOOSE based applications: PRONGHORN, our multiphysics gas cooled reactor simulation tool and BISON, our multiphysics, multiscale fuel performance simulation tool will be presented.

  15. Parallel multiphysics algorithms and software for computational nuclear engineering

    NASA Astrophysics Data System (ADS)

    Gaston, D.; Hansen, G.; Kadioglu, S.; Knoll, D. A.; Newman, C.; Park, H.; Permann, C.; Taitano, W.

    2009-07-01

    There is a growing trend in nuclear reactor simulation to consider multiphysics problems. This can be seen in reactor analysis where analysts are interested in coupled flow, heat transfer and neutronics, and in fuel performance simulation where analysts are interested in thermomechanics with contact coupled to species transport and chemistry. These more ambitious simulations usually motivate some level of parallel computing. Many of the coupling efforts to date utilize simple code coupling or first-order operator splitting, often referred to as loose coupling. While these approaches can produce answers, they usually leave questions of accuracy and stability unanswered. Additionally, the different physics often reside on separate grids which are coupled via simple interpolation, again leaving open questions of stability and accuracy. Utilizing state of the art mathematics and software development techniques we are deploying next generation tools for nuclear engineering applications. The Jacobian-free Newton-Krylov (JFNK) method combined with physics-based preconditioning provide the underlying mathematical structure for our tools. JFNK is understood to be a modern multiphysics algorithm, but we are also utilizing its unique properties as a scale bridging algorithm. To facilitate rapid development of multiphysics applications we have developed the Multiphysics Object-Oriented Simulation Environment (MOOSE). Examples from two MOOSE-based applications: PRONGHORN, our multiphysics gas cooled reactor simulation tool and BISON, our multiphysics, multiscale fuel performance simulation tool will be presented.

  16. Computational modeling of nuclear thermal rockets

    NASA Technical Reports Server (NTRS)

    Peery, Steven D.

    1993-01-01

    The topics are presented in viewgraph form and include the following: rocket engine transient simulation (ROCETS) system; ROCETS performance simulations composed of integrated component models; ROCETS system architecture significant features; ROCETS engineering nuclear thermal rocket (NTR) modules; ROCETS system easily adapts Fortran engineering modules; ROCETS NTR reactor module; ROCETS NTR turbomachinery module; detailed reactor analysis; predicted reactor power profiles; turbine bypass impact on system; and ROCETS NTR engine simulation summary.

  17. Computational Age Dating of Special Nuclear Materials

    SciTech Connect

    None, None

    2012-06-30

    This slide-show presented an overview of the Constrained Progressive Reversal (CPR) method for computing decays, age dating, and spoof detecting. The CPR method is: Capable of temporal profiling a SNM sample; Precise (compared with known decay code, such a ORIGEN); Easy (for computer implementation and analysis). We have illustrated with real SNM data using CPR for age dating and spoof detection. If SNM is pure, may use CPR to derive its age. If SNM is mixed, CPR will indicate that it is mixed or spoofed.

  18. Laser spectroscopy for nuclear structure physics

    NASA Astrophysics Data System (ADS)

    Campbell, P.; Moore, I. D.; Pearson, M. R.

    2016-01-01

    High-resolution laser spectroscopy is an established powerful tool in the study of nuclear shape, size and multipole moments. Measurements of the hyperfine structures and isotope shifts in the atomic spectra of radioactive nuclei provide unique insight into the evolution of the nuclear macroscopic shape and microscopic structure. These measurements can be made with high precision and high sensitivity and applied directly on-line at radioactive nuclear beam facilities. Recent measurements, advances at facilities and the future direction of the field are reviewed. A summary of experimental data is presented.

  19. Computer program performs stiffness matrix structural analysis

    NASA Technical Reports Server (NTRS)

    Bamford, R.; Batchelder, R.; Schmele, L.; Wada, B. K.

    1968-01-01

    Computer program generates the stiffness matrix for a particular type of structure from geometrical data, and performs static and normal mode analyses. It requires the structure to be modeled as a stable framework of uniform, weightless members, and joints at which loads are applied and weights are lumped.

  20. Nuclear Structure of the Noble Gas

    NASA Astrophysics Data System (ADS)

    Seong, Nakyeong

    Modern physics usually pictures the nuclear structure as about sphere and treats various detailed situation as perturbative, which may be obscured. In addition, the explanation why 235U undergoes nuclear fission and 238U does not is too difficult and unclear for the people to understand. However, in this paper, we introduce a new approach on the nuclear structure of the noble gas, which simultaneously can explain several phenomena that is obscurely elucidated by modern physics. We consider a 1:1 ratio between protons and neutrons and need the concept of the symmetry of the nuclear structure, because the electron's shell of the noble gas is fully occupied. From these, we can predict the number of neutrons of each noble gas exactly

  1. Shell structure from nuclear observables

    NASA Astrophysics Data System (ADS)

    Bentley, I.; Rodríguez, Y. Colón; Cunningham, S.; Aprahamian, A.

    2016-04-01

    The appearance and disappearance of shells and subshells are determined using a previously introduced method of structural analysis. This work extends the approach and applies it to protons, in addition to neutrons, in an attempt to provide a more complete understanding of shell structure in nuclei. Experimental observables including the mean-square charge radius, as well as other spectroscopic and mass related quantities are analyzed for extrema. This analysis also uses differential observables among adjacent even-even nuclei to serve as the derivatives for these quantities of interest. Local extrema in these quantities indicate shell structure and the lack of local extrema indicate missing shell closures. The shell structure of low-mass nuclei is inconsistent likely as a consequence of the single-particle structure. Additionally, multiple shell features occurring in midshell regions are determined by combining information from two or more observables. Our results near stability complement previous observations further out.

  2. Probing Nuclear Structure with Fast Neutrons

    SciTech Connect

    Yates, Steven W.

    2009-01-28

    The advantages of using inelastic neutron scattering with detection of the emitted {gamma} rays, i.e., the (n,n'{gamma}) reaction, for exploring the structure of stable nuclei are reviewed. Examples of the information available with these techniques are provided and progress in understanding multiphonon excitations is described. The unique nuclear structure of {sup 94}Zr is discussed.

  3. Computing folding pathways between RNA secondary structures.

    PubMed

    Dotu, Ivan; Lorenz, William A; Van Hentenryck, Pascal; Clote, Peter

    2010-03-01

    Given an RNA sequence and two designated secondary structures A, B, we describe a new algorithm that computes a nearly optimal folding pathway from A to B. The algorithm, RNAtabupath, employs a tabu semi-greedy heuristic, known to be an effective search strategy in combinatorial optimization. Folding pathways, sometimes called routes or trajectories, are computed by RNAtabupath in a fraction of the time required by the barriers program of Vienna RNA Package. We benchmark RNAtabupath with other algorithms to compute low energy folding pathways between experimentally known structures of several conformational switches. The RNApathfinder web server, source code for algorithms to compute and analyze pathways and supplementary data are available at http://bioinformatics.bc.edu/clotelab/RNApathfinder. PMID:20044352

  4. Probabilistic structural analysis computer code (NESSUS)

    NASA Technical Reports Server (NTRS)

    Shiao, Michael C.

    1988-01-01

    Probabilistic structural analysis has been developed to analyze the effects of fluctuating loads, variable material properties, and uncertain analytical models especially for high performance structures such as SSME turbopump blades. The computer code NESSUS (Numerical Evaluation of Stochastic Structure Under Stress) was developed to serve as a primary computation tool for the characterization of the probabilistic structural response due to the stochastic environments by statistical description. The code consists of three major modules NESSUS/PRE, NESSUS/FEM, and NESSUS/FPI. NESSUS/PRE is a preprocessor which decomposes the spatially correlated random variables into a set of uncorrelated random variables using a modal analysis method. NESSUS/FEM is a finite element module which provides structural sensitivities to all the random variables considered. NESSUS/FPI is Fast Probability Integration method by which a cumulative distribution function or a probability density function is calculated.

  5. Structured brain computing and its learning

    SciTech Connect

    Ae, Tadashi; Araki, Hiroyuki; Sakai, Keiichi

    1999-03-22

    We have proposed a two-level architecture for brain computing, where two levels are introduced for processing of meta-symbol. At level 1 a conventional pattern recognition is performed, where neural computation is included, and its output gives the meta-symbol which is a symbol enlarged from a symbol to a kind of pattern. At Level 2 an algorithm acquisition is made by using a machine for abstract states. We are also developing the VLSI chips at each level for SBC (Structured Brain Computer) Ver.1.0.

  6. Nuclear versus nucleon structure effects on nuclear transparency

    SciTech Connect

    O. Benhar

    1997-06-25

    Nuclear structure effects account for the observed enhancement of the nuclear transparency to moderate energy protons, with respect to the predictions of Glauber theory. This enhancement appears to be comparable to the one associated with the onset of color transparency in the Q2 range spanned by the available (e,e'p) data (Q2 < 7 (GeV/c)2). It is argued that in this kinematical regime a stronger colour transparency signal can be observed in the low energy loss tail of the inclusive electron-nucleus cross section, corresponding to large values of the Bjorken scaling variable x (x>2).

  7. Theoretical nuclear structure. Progress report for 1997

    SciTech Connect

    Nazarewicz, W.; Strayer, M.R.

    1997-12-31

    This research effort is directed toward theoretical support and guidance for the fields of radioactive ion beam physics, gamma-ray spectroscopy, and the interface between nuclear structure and nuclear astrophysics. The authors report substantial progress in all these areas. One measure of progress is publications and invited material. The research described here has led to more than 25 papers that are published, accepted, or submitted to refereed journals, and to 25 invited presentations at conferences and workshops.

  8. Nuclear diffractive structure functions at high energies

    SciTech Connect

    Marquet,C.; Kowalski, H.; Lappi, T.; Venugopalan, R.

    2008-08-08

    A future high-energy electron-ion collider would explore the non-linear weakly-coupled regime of QCD, and test the Color Glass Condensate (CGC) approach to high-energy scattering. Hard diffraction in deep inelastic scattering off nuclei will provide many fundamental measurements. In this work, the nuclear diffractive structure function F{sub 2,A}{sup D} is predicted in the CGC framework, and the features of nuclear enhancement and suppression are discussed.

  9. Creep of Structural Nuclear Composites

    SciTech Connect

    Will Windes; R.W. Lloyd

    2005-09-01

    A research program has been established to investigate fiber reinforced ceramic composites to be used as control rod components within a Very High Temperature Reactor (VHTR) design. Two candidate systems have been identified, carbon fiber reinforced carbon (Cf/C) and silicon carbide fiber reinforced silicon carbide (SiCf/SiC) composites. One of the primary degradation mechanisms anticipated for these core components is high temperature thermal and irradiation enhanced creep. As a consequence, high temperature test equipment, testing methodologies, and test samples for very high temperature (up to 1600º C) tensile strength and long duration creep studies have been established. Actual testing of both tubular and flat, "dog-bone"-shaped tensile composite specimens will begin next year. Since there is no precedence for using ceramic composites within a nuclear reactor, ASTM standard test procedures are currently being established from these high temperature mechanical tests.

  10. Nuclear structure at intermediate energies

    SciTech Connect

    Bonner, B.E.; Mutchler, G.S.

    1991-09-30

    The theme that unites the sometimes seemingly disparate experiments undertaken by the Bonner Lab Medium Energy Group is a determination to understand in detail the many facets and manifestations of the strong interaction, that which is now referred to as nonperturbative QCD. Whether we are investigating the question of just what does carry the spin of baryons, or the extent of the validity of the SU(6) wavefunctions for the excited hyperons (as will be measured in their radiative decays in our CEBAF experiment), or questions associated with the formation of a new state of matter predicted by QCD (the subject of our BNL experiments E810, E854, as well as our approved experiment at RHIC), -- all these projects share this common goal. Our other experiments represent different approaches to the same broad undertaking. LAMPF E1097 will provide definitive answers to the question of the spin dependence of the inelastic channel of pion production in the n-p interaction. FNAL E683 may well open a new field of investigation in nuclear physics: that of just how quarks and gluons interact with nuclear matter as they transverse nuclei of different sizes. In most all of the experiments mentioned above, the Bonner Lab Group is playing major leadership roles as well as doing a big fraction of the hard work that such experiments require. We use many of the facilities that are unavailable to the intermediate energy physics community and we use our expertise to design and fabricate the detectors and instrumentation that are required to perform the measurements which we decide to do.

  11. Nuclear Structure Research at Richmond

    SciTech Connect

    Beausang, Cornelius W.

    2015-04-30

    The goals for the final year were; (1) to continue ongoing efforts to develop and enhance GRETINA and work towards GRETA; (2) to investigate the structure of non-yrast states in shape transitional Sm and Gd nuclei; (3) to investigate the structure of selected light Cd nuclei; (4) to exploit the surrogate reaction technique to extract (n,f) cross sections for actinide nuclei, particularly the first measurement of the 236Pu and 237Pu(n,f) cross sections.

  12. Electron Scattering and Nuclear Structure

    ERIC Educational Resources Information Center

    Trower, W. P.; Ficenec, J. R.

    1971-01-01

    Presents information about the nucleus gained by studies of electron scattering. Discusses what can be implied about the shape of the charge distribution, the nucleus positions, the vibrational modes of the nucleus, the momentum of the nucleus, and the granularity and core structures of the nucleus. (DS)

  13. Computer assistance for the structural chemist

    NASA Technical Reports Server (NTRS)

    Carhart, R. E.; Varkony, T. H.; Smith, D. H.

    1977-01-01

    A description is presented of the approaches used to modify the molecular structure generator program, CONGEN. The CONGEN program for constructing structures under constraints has been discussed by Carhart et al. (1975). The modifications reported are to lead to a more efficient structure generation on the basis of a translation of structural data input to the program. From an algorithmic standpoint, CONGEN is successful if it can, in a reasonable amount of time and without exhausting storage resources, produce a list of candidate structures satisfying the chemist's constraints. However, this list is often quite large, and it remains for the chemist to discriminate among the candidates, eventually reducing the possibilities to just one structure. Ways are studied for providing computer assistance in examining and further constraining lists of structural candidates.

  14. Ab initio nuclear structure theory

    NASA Astrophysics Data System (ADS)

    Negoita, Gianina Alina

    Ab initio no core methods have become major tools for understanding the properties of light nuclei based on realistic nucleon-nucleon (NN) and three-nucleon (NNN) interactions. A brief description is provided for the inter-nucleon interactions that fit two-body scattering and bound state data, as well as NNN interactions. Major new progress, including the goal of applying these interactions to solve for properties of nuclei, is limited by convergence issues. That is, with the goal of obtaining high precision solutions of the nuclear many-body Hamiltonian with no core methods (all nucleons treated on the same footing), one needs to proceed to very large basis spaces to achieve a convergence pattern suitable for extrapolation to the exact result. This thesis investigates (1) the similarity renormalization group (SRG) approach to soften the interaction, while preserving its phase shift properties, and (2) adoption of a realistic basis space using Woods-Saxon (WS) single-particle wavefunctions. Both have their advantages and limitations, discussed here. For (1), SRG was demonstrated by applying it to a realistic NN interaction, JISP16, in a harmonic oscillator (HO) representation. The degree of interaction softening achieved through a regulator parameter is examined. For (2), new results are obtained with the realistic JISP16 NN interaction in ab initio calculations of light nuclei 4He, 6He and 12C, using a WS basis optimized to minimize the ground-state energy within the truncated no core shell model. These are numerically-intensive many-body calculations. Finally, to gain insight into the potential for no core investigations of heavier nuclei, an initial investigation was obtained for the odd mass A = 47 - 49 region nuclei straddling 48Ca. The motivation for selecting these nuclei stems from the aim of preparing for nuclear double beta-decay studies of 48Ca. In these heavier systems, phenomenological additions to the realistic NN interaction determined by previous

  15. The computational structural mechanics testbed procedures manual

    NASA Technical Reports Server (NTRS)

    Stewart, Caroline B. (Compiler)

    1991-01-01

    The purpose of this manual is to document the standard high level command language procedures of the Computational Structural Mechanics (CSM) Testbed software system. A description of each procedure including its function, commands, data interface, and use is presented. This manual is designed to assist users in defining and using command procedures to perform structural analysis in the CSM Testbed User's Manual and the CSM Testbed Data Library Description.

  16. Computational Methods for Structural Mechanics and Dynamics

    NASA Technical Reports Server (NTRS)

    Stroud, W. Jefferson (Editor); Housner, Jerrold M. (Editor); Tanner, John A. (Editor); Hayduk, Robert J. (Editor)

    1989-01-01

    Topics addressed include: transient dynamics; transient finite element method; transient analysis in impact and crash dynamic studies; multibody computer codes; dynamic analysis of space structures; multibody mechanics and manipulators; spatial and coplanar linkage systems; flexible body simulation; multibody dynamics; dynamical systems; and nonlinear characteristics of joints.

  17. Aeroelastic Model Structure Computation for Envelope Expansion

    NASA Technical Reports Server (NTRS)

    Kukreja, Sunil L.

    2007-01-01

    Structure detection is a procedure for selecting a subset of candidate terms, from a full model description, that best describes the observed output. This is a necessary procedure to compute an efficient system description which may afford greater insight into the functionality of the system or a simpler controller design. Structure computation as a tool for black-box modelling may be of critical importance in the development of robust, parsimonious models for the flight-test community. Moreover, this approach may lead to efficient strategies for rapid envelope expansion which may save significant development time and costs. In this study, a least absolute shrinkage and selection operator (LASSO) technique is investigated for computing efficient model descriptions of nonlinear aeroelastic systems. The LASSO minimises the residual sum of squares by the addition of an l(sub 1) penalty term on the parameter vector of the traditional 2 minimisation problem. Its use for structure detection is a natural extension of this constrained minimisation approach to pseudolinear regression problems which produces some model parameters that are exactly zero and, therefore, yields a parsimonious system description. Applicability of this technique for model structure computation for the F/A-18 Active Aeroelastic Wing using flight test data is shown for several flight conditions (Mach numbers) by identifying a parsimonious system description with a high percent fit for cross-validated data.

  18. Aeroelastic Model Structure Computation for Envelope Expansion

    NASA Technical Reports Server (NTRS)

    Kukreja, Sunil L.

    2007-01-01

    Structure detection is a procedure for selecting a subset of candidate terms, from a full model description, that best describes the observed output. This is a necessary procedure to compute an efficient system description which may afford greater insight into the functionality of the system or a simpler controller design. Structure computation as a tool for black-box modeling may be of critical importance in the development of robust, parsimonious models for the flight-test community. Moreover, this approach may lead to efficient strategies for rapid envelope expansion that may save significant development time and costs. In this study, a least absolute shrinkage and selection operator (LASSO) technique is investigated for computing efficient model descriptions of non-linear aeroelastic systems. The LASSO minimises the residual sum of squares with the addition of an l(Sub 1) penalty term on the parameter vector of the traditional l(sub 2) minimisation problem. Its use for structure detection is a natural extension of this constrained minimisation approach to pseudo-linear regression problems which produces some model parameters that are exactly zero and, therefore, yields a parsimonious system description. Applicability of this technique for model structure computation for the F/A-18 (McDonnell Douglas, now The Boeing Company, Chicago, Illinois) Active Aeroelastic Wing project using flight test data is shown for several flight conditions (Mach numbers) by identifying a parsimonious system description with a high percent fit for cross-validated data.

  19. New Features in the Computational Infrastructure for Nuclear Astrophysics

    NASA Astrophysics Data System (ADS)

    Smith, Michael S.; Lingerfelt, Eric J.; Hix, W. Raphael; Nesaraja, Caroline D.; Thomsen, Kyle

    2011-10-01

    The Computational Infrastructure for Nuclear Astrophysics (CINA) is a platform- independent suite of computer codes that are freely available online at http://nucastrodata.org. The system enhances the utilization of nuclear data by streamlining the process to include the latest data into astrophysics simulations. Users can upload measured or calculated cross sections, process them into reaction rates, incorporate rates into libraries, run simulations with these custom libraries, and store and visualize the results -- all with a simple graphical user interface. New features in CINA include: automated studies of the sensitivity of astrophysical predictions on nuclear input; calculation of thermonuclear reaction rates from resonance information; and the ability to extract information from several additional international databases. Several utilizations of, and future plans for, this software suite will be given.

  20. Computer simulation of two-phase flow in nuclear reactors

    SciTech Connect

    Wulff, W.

    1992-09-01

    Two-phase flow models dominate the economic resource requirements for development and use of computer codes for analyzing thermohydraulic transients in nuclear power plants. Six principles are presented on mathematical modeling and selection of numerical methods, along with suggestions on programming and machine selection, all aimed at reducing the cost of analysis. Computer simulation is contrasted with traditional computer calculation. The advantages of run-time interactive access operation in a simulation environment are demonstrated. It is explained that the drift-flux model is better suited for two-phase flow analysis in nuclear reactors than the two-fluid model, because of the latter`s closure problem. The advantage of analytical over numerical integration is demonstrated. Modeling and programming techniques are presented which minimize the number of needed arithmetical and logical operations and thereby increase the simulation speed, while decreasing the cost.

  1. RNA secondary structure prediction using soft computing.

    PubMed

    Ray, Shubhra Sankar; Pal, Sankar K

    2013-01-01

    Prediction of RNA structure is invaluable in creating new drugs and understanding genetic diseases. Several deterministic algorithms and soft computing-based techniques have been developed for more than a decade to determine the structure from a known RNA sequence. Soft computing gained importance with the need to get approximate solutions for RNA sequences by considering the issues related with kinetic effects, cotranscriptional folding, and estimation of certain energy parameters. A brief description of some of the soft computing-based techniques, developed for RNA secondary structure prediction, is presented along with their relevance. The basic concepts of RNA and its different structural elements like helix, bulge, hairpin loop, internal loop, and multiloop are described. These are followed by different methodologies, employing genetic algorithms, artificial neural networks, and fuzzy logic. The role of various metaheuristics, like simulated annealing, particle swarm optimization, ant colony optimization, and tabu search is also discussed. A relative comparison among different techniques, in predicting 12 known RNA secondary structures, is presented, as an example. Future challenging issues are then mentioned. PMID:23702539

  2. Computational Predictions of Structures of Multichromosomes of Budding Yeast

    PubMed Central

    Gürsoy, Gamze; Xu, Yun; Liang, Jie

    2016-01-01

    Knowledge of the global architecture of the cell nucleus and the spatial organization of genome is critical for understanding gene expression and nuclear function. Single-cell imaging techniques provide a wealth of information on the spatial organization of chromosomes. Computational tools for modelling chromosome structure have broad implications in studying the effect of cell nucleus on higher-order genome organization. Here we describe a multichromosome constrained self-avoiding chromatin model for studying ensembles of genome structural models of budding yeast nucleus. We successfully generated a large number of model genomes of yeast with appropriate chromatin fiber diameter, persistence length, and excluded volume under spatial confinement. By incorporating details of the constraints from single-cell imaging studies, our method can model the budding yeast genome realistically. The model developed here provides a general computational framework for studying the overall architecture of budding yeast genome. PMID:25570855

  3. Nuclear magnetic resonance spectroscopic and computer-stimulated structural analyses of a heptapeptide sequence found around the N-glycosylation site of a proline-rich glycoprotein from human parotid saliva.

    PubMed Central

    Loomis, R E; Bhandary, K K; Tseng, C C; Bergey, E J; Levine, M J

    1987-01-01

    The proline-rich glycoprotein from human parotid saliva has a common heptapeptide sequence around four of six N-glycosylation sites (Maeda, N., H. S. Kim, E. A. Azen, and O. J. Smithies, 1985, J. Biol. Chem., 20:11123-11130). A synthetic model of the heptamer protein sequence, NH2-Q(1)-G(2)-G(3)-N(4)-Q(5)-S(6)-Q(7)-CONH2, was examined by nuclear magnetic resonance (NMR) spectroscopy and the ECEPP/2-VAO4A (Empirical Conformation Energy Program for Peptides) energy minimization computer algorithm (Scheraga, H. A., 1982, Quantum Chemistry Program Exchange, 454; Powell, M. J. D., 1964, Quantum Chemistry Program Exchange, 60). The NMR spectrum was almost completely assigned in dimethylsulfoxide-d6 (DMSO), and the amide chemical shift temperature dependence, phi dihedral angles, and chi 1 rotamer populations elucidated. These data indicated that a significant population of the heptamer could exist as a type I beta-turn [4----1 between Q(5) and G(2)] and/or a type II' beta-turn [4----1 between (Q)5 and G(2) and/or a gamma-turn [3----1 between Q(5) and G(3)] with the amino acid chi 1 torsion angles weighted toward the gauche- conformation. Starting from these three possible conformations, the ECEPP/2-VAO4A rigid geometry energy minimization program was used to find the localized predominant in vacuo structures of this heptapeptide sequence. The type II' beta-turn conformation best fits the data based on internuclear hydrogen-bonding distances, minimum potential energy considerations, and the NMR parameters. Images FIGURE 7 FIGURE 8 FIGURE 9 PMID:3828456

  4. Progress on nuclear modifications of structure functions

    NASA Astrophysics Data System (ADS)

    Kumano, S.

    2016-03-01

    We report progress on nuclear structure functions, especially on their nuclear modifications and a new tensor structure function for the deuteron. To understand nuclear structure functions is an important step toward describing nuclei and QCD matters from low to high densities and from low to high energies in terms of fundamental quark and gluon degrees of freedom beyond conventional hadron and nuclear physics. It is also practically important for understanding new phenomena in high-energy heavy-ion collisions at RHIC and LHC. Furthermore, since systematic errors of current neutrinooscillation experiments are dominated by uncertainties of neutrino-nucleus interactions, such studies are valuable for finding new physics beyond current framework. Next, a new tensor-polarized structure function b1 is discussed for the deuteron. There was a measurement by HERMES; however, its data are inconsistent with the conventional convolution estimate based on the standard deuteron model with D-state admixture. This fact suggests that a new hadronic phenomenon should exist in the tensor-polarized deuteron at high energies, and it will be experimentally investigated at JLab from the end of 2010's.

  5. Seismic analysis of nuclear power plant structures

    NASA Technical Reports Server (NTRS)

    Go, J. C.

    1973-01-01

    Primary structures for nuclear power plants are designed to resist expected earthquakes of the site. Two intensities are referred to as Operating Basis Earthquake and Design Basis Earthquake. These structures are required to accommodate these seismic loadings without loss of their functional integrity. Thus, no plastic yield is allowed. The application of NASTRAN in analyzing some of these seismic induced structural dynamic problems is described. NASTRAN, with some modifications, can be used to analyze most structures that are subjected to seismic loads. A brief review of the formulation of seismic-induced structural dynamics is also presented. Two typical structural problems were selected to illustrate the application of the various methods of seismic structural analysis by the NASTRAN system.

  6. Parallel structures in human and computer memory

    NASA Astrophysics Data System (ADS)

    Kanerva, Pentti

    1986-08-01

    If we think of our experiences as being recorded continuously on film, then human memory can be compared to a film library that is indexed by the contents of the film strips stored in it. Moreover, approximate retrieval cues suffice to retrieve information stored in this library: We recognize a familiar person in a fuzzy photograph or a familiar tune played on a strange instrument. This paper is about how to construct a computer memory that would allow a computer to recognize patterns and to recall sequences the way humans do. Such a memory is remarkably similar in structure to a conventional computer memory and also to the neural circuits in the cortex of the cerebellum of the human brain. The paper concludes that the frame problem of artificial intelligence could be solved by the use of such a memory if we were able to encode information about the world properly.

  7. Parallel structures in human and computer memory

    NASA Technical Reports Server (NTRS)

    Kanerva, P.

    1986-01-01

    If one thinks of our experiences as being recorded continuously on film, then human memory can be compared to a film library that is indexed by the contents of the film strips stored in it. Moreover, approximate retrieval cues suffice to retrieve information stored in this library. One recognizes a familiar person in a fuzzy photograph or a familiar tune played on a strange instrument. A computer memory that would allow a computer to recognize patterns and to recall sequences the way humans do is constructed. Such a memory is remarkably similiar in structure to a conventional computer memory and also to the neural circuits in the cortex of the cerebellum of the human brain. It is concluded that the frame problem of artificial intelligence could be solved by the use of such a memory if one were able to encode information about the world properly.

  8. Nuclear structure and depletion of nuclear isomers using electron linacs

    SciTech Connect

    Carroll, J. J.; Litz, M. S.; Henriquez, S. L.; Burns, D. A.; Netherton, K. A.; Pereira, N. R.; Karamian, S. A.

    2013-04-19

    Long-lived nuclear excited states (isomers) have proven important to understanding nuclear structure. With some isomers having half-lives of decades or longer, and intrinsic energy densities reaching 10{sup 12} J/kg, they have also been suggested for a wide range of applications. The ability to effectively transfer a population of nuclei from an isomer to shorter-lived levels will determine the feasibility of any applications. Here is described a first demonstration of the induced depletion of a population of the 438 year isomer of {sup 108}Ag to its 2.38 min ground state, using 6 MeV bremsstrahlung from a modified medical electron linac. The experiment suggests refinements to be implemented in the future and how a similar approach might be applied to study induced depletion of the 1200 year isomer of {sup 166}Ho.

  9. Computational Simulation of Composite Structural Fatigue

    NASA Technical Reports Server (NTRS)

    Minnetyan, Levon

    2004-01-01

    Progressive damage and fracture of composite structures subjected to monotonically increasing static, tension-tension cyclic, pressurization, and flexural cyclic loading are evaluated via computational simulation. Constituent material properties, stress and strain limits are scaled up to the structure level to evaluate the overall damage and fracture propagation for composites. Damage initiation, growth, accumulation, and propagation to fracture due to monotonically increasing static and cyclic loads are included in the simulations. Results show the number of cycles to failure at different temperatures and the damage progression sequence during different degradation stages. A procedure is outlined for use of computational simulation data in the assessment of damage tolerance, determination of sensitive parameters affecting fracture, and interpretation of results with insight for design decisions.

  10. Computational Simulation of Composite Structural Fatigue

    NASA Technical Reports Server (NTRS)

    Minnetyan, Levon; Chamis, Christos C. (Technical Monitor)

    2005-01-01

    Progressive damage and fracture of composite structures subjected to monotonically increasing static, tension-tension cyclic, pressurization, and flexural cyclic loading are evaluated via computational simulation. Constituent material properties, stress and strain limits are scaled up to the structure level to evaluate the overall damage and fracture propagation for composites. Damage initiation, growth, accumulation, and propagation to fracture due to monotonically increasing static and cyclic loads are included in the simulations. Results show the number of cycles to failure at different temperatures and the damage progression sequence during different degradation stages. A procedure is outlined for use of computational simulation data in the assessment of damage tolerance, determination of sensitive parameters affecting fracture, and interpretation of results with insight for design decisions.

  11. Computed structures of polyimides model compounds

    NASA Technical Reports Server (NTRS)

    Tai, H.; Phillips, D. H.

    1990-01-01

    Using a semi-empirical approach, a computer study was made of 8 model compounds of polyimides. The compounds represent subunits from which NASA Langley Research Center has successfully synthesized polymers for aerospace high performance material application, including one of the most promising, LARC-TPI polymer. Three-dimensional graphic display as well as important molecular structure data pertaining to these 8 compounds are obtained.

  12. Computational simulation of hot composite structures

    NASA Technical Reports Server (NTRS)

    Chamis, C. C.; Murthy, P. L. N.; Singhal, S. N.

    1991-01-01

    Three different computer codes developed in-house are described for application to hot composite structures. These codes include capabilities for: (1) laminate behavior (METCAN); (2) thermal/structural analysis of hot structures made from high temperature metal matrix composites (HITCAN); and (3) laminate tailoring (MMLT). Results for select sample cases are described to demonstrate the versatility as well as the application of these codes to specific situations. The sample case results show that METCAN can be used to simulate cyclic life in high temperature metal matrix composites; HITCAN can be used to evaluate the structural performance of curved panels as well as respective sensitivities of various nonlinearities, and MMLT can be used to tailor the fabrication process in order to reduce residual stresses in the matrix upon cool-down.

  13. Computational simulation of hot composites structures

    NASA Technical Reports Server (NTRS)

    Chamis, Christos C.; Murthy, P. L. N.; Singhal, S. N.

    1991-01-01

    Three different computer codes developed in-house are described for application to hot composite structures. These codes include capabilities for: (1) laminate behavior (METCAN); (2) thermal/structural analysis of hot structures made from high temperature metal matrix composites (HITCAN); and (3) laminate tailoring (MMLT). Results for select sample cases are described to demonstrate the versatility as well as the application of these codes to specific situations. The sample case results show that METCAN can be used to simulate cyclic life in high temperature metal matrix composites; HITCAN can be used to evaluate the structural performance of curved panels as well as respective sensitivities of various nonlinearities, and MMLT can be used to tailor the fabrication process in order to reduce residual stresses in the matrix upon cool-down.

  14. Biochemical computation for spine structural plasticity

    PubMed Central

    Nishiyama, Jun; Yasuda, Ryohei

    2015-01-01

    The structural plasticity of dendritic spines is considered to be essential for various forms of synaptic plasticity, learning and memory. The process is mediated by a complex signaling network consisting of numerous species of molecules. Furthermore, the spatiotemporal dynamics of the biochemical signaling is regulated in a complicated manner due to geometrical restrictions from the unique morphology of the dendritic branches and spines. Recent advances in optical techniques have enabled the exploration of the spatiotemporal aspects of the signal regulations in spines and dendrites and have provided many insights into the principle of the biochemical computation that underlies spine structural plasticity. PMID:26139370

  15. Large Scale Computing and Storage Requirements for Nuclear Physics Research

    SciTech Connect

    Gerber, Richard A.; Wasserman, Harvey J.

    2012-03-02

    IThe National Energy Research Scientific Computing Center (NERSC) is the primary computing center for the DOE Office of Science, serving approximately 4,000 users and hosting some 550 projects that involve nearly 700 codes for a wide variety of scientific disciplines. In addition to large-scale computing resources NERSC provides critical staff support and expertise to help scientists make the most efficient use of these resources to advance the scientific mission of the Office of Science. In May 2011, NERSC, DOE’s Office of Advanced Scientific Computing Research (ASCR) and DOE’s Office of Nuclear Physics (NP) held a workshop to characterize HPC requirements for NP research over the next three to five years. The effort is part of NERSC’s continuing involvement in anticipating future user needs and deploying necessary resources to meet these demands. The workshop revealed several key requirements, in addition to achieving its goal of characterizing NP computing. The key requirements include: 1. Larger allocations of computational resources at NERSC; 2. Visualization and analytics support; and 3. Support at NERSC for the unique needs of experimental nuclear physicists. This report expands upon these key points and adds others. The results are based upon representative samples, called “case studies,” of the needs of science teams within NP. The case studies were prepared by NP workshop participants and contain a summary of science goals, methods of solution, current and future computing requirements, and special software and support needs. Participants were also asked to describe their strategy for computing in the highly parallel, “multi-core” environment that is expected to dominate HPC architectures over the next few years. The report also includes a section with NERSC responses to the workshop findings. NERSC has many initiatives already underway that address key workshop findings and all of the action items are aligned with NERSC strategic plans.

  16. Lattice computations for high energy and nuclear physics

    NASA Astrophysics Data System (ADS)

    Jansen, K.

    2013-08-01

    An overview is given on present lattice field theory computations. We demonstrate the progress obtained in the field due to algorithmic, conceptual and supercomputer advances. We discuss as particular examples Higgs boson mass bounds in lattice Higgs-Yukawa models and the baryon spectrum, the anomalous magnetic moment of the muon and nuclear physics for lattice QCD. We emphasize a number of major challenges lattice field theory is still facing and estimate the computational cost for simulations at physical values of the pion mass.

  17. Computational fluid dynamics studies of nuclear rocket performance

    NASA Technical Reports Server (NTRS)

    Stubbs, Robert M.; Kim, Suk C.; Benson, Thomas J.

    1994-01-01

    A CFD analysis of a low pressure nuclear rocket concept is presented with the use of an advanced chemical kinetics, Navier-Stokes code. The computations describe the flow field in detail, including gas dynamic, thermodynamic and chemical properties, as well as global performance quantities such as specific impulse. Computational studies of several rocket nozzle shapes are conducted in an attempt to maximize hydrogen recombination. These Navier-Stokes calculations, which include real gas and viscous effects, predict lower performance values than have been reported heretofore.

  18. Computational fluid dynamics studies of nuclear rocket performance

    NASA Technical Reports Server (NTRS)

    Stubbs, Robert M.; Benson, Thomas J.; Kim, Suk C.

    1991-01-01

    A CFD analysis of a low pressure nuclear rocket concept is presented with the use of an advanced chemical kinetics, Navier-Stokes code. The computations describe the flow field in detail,including gas dynamic, thermodynamic and chemical properties, as well as global performance quantities such as specific impulse. Computational studies of several rocket nozzle shapes are conducted in an attempt to maximize hydrogen recombination. These Navier-Stokes calculations, which include real gas and viscous effects, predict lower performance values than have been reported heretofore.

  19. Interdisciplinary Team-Teaching Experience for a Computer and Nuclear Energy Course for Electrical and Computer Engineering Students

    ERIC Educational Resources Information Center

    Kim, Charles; Jackson, Deborah; Keiller, Peter

    2016-01-01

    A new, interdisciplinary, team-taught course has been designed to educate students in Electrical and Computer Engineering (ECE) so that they can respond to global and urgent issues concerning computer control systems in nuclear power plants. This paper discusses our experience and assessment of the interdisciplinary computer and nuclear energy…

  20. KEYNOTE: Simulation, computation, and the Global Nuclear Energy Partnership

    NASA Astrophysics Data System (ADS)

    Reis, Victor, Dr.

    2006-01-01

    Dr. Victor Reis delivered the keynote talk at the closing session of the conference. The talk was forward looking and focused on the importance of advanced computing for large-scale nuclear energy goals such as Global Nuclear Energy Partnership (GNEP). Dr. Reis discussed the important connections of GNEP to the Scientific Discovery through Advanced Computing (SciDAC) program and the SciDAC research portfolio. In the context of GNEP, Dr. Reis talked about possible fuel leasing configurations, strategies for their implementation, and typical fuel cycle flow sheets. A major portion of the talk addressed lessons learnt from ‘Science Based Stockpile Stewardship’ and the Accelerated Strategic Computing Initiative (ASCI) initiative and how they can provide guidance for advancing GNEP and SciDAC goals. Dr. Reis’s colorful and informative presentation included international proverbs, quotes and comments, in tune with the international flavor that is part of the GNEP philosophy and plan. He concluded with a positive and motivating outlook for peaceful nuclear energy and its potential to solve global problems. An interview with Dr. Reis, addressing some of the above issues, is the cover story of Issue 2 of the SciDAC Review and available at http://www.scidacreview.org This summary of Dr. Reis’s PowerPoint presentation was prepared by Institute of Physics Publishing, the complete PowerPoint version of Dr. Reis’s talk at SciDAC 2006 is given as a multimedia attachment to this summary.

  1. Clustering Aspects in Nuclear Structure and Collisions

    NASA Astrophysics Data System (ADS)

    Horiuchi, H.

    Four topics on nuclear clustering are discussed. The first subject is about the cluster formation in dilute matter which we think is now observed in heavy ion collisions at hundreds MeV/nucleon. The second subject is about our new proposal of the existense of alpha condensed states in light nuclei. Two other subjects are both about the clustering in neutron-rich nuclei. One is the cluster structures in neutron-rich Be and B isotopes. In these isotopes, the clustering prevails as fundamental characters of nuclear structure. The other is the report of our recent study about the possible relation of the clustering with the breaking of the neutron magic number N=20 in 32Mg and 30Ne.

  2. INIS: A Computer-Based International Nuclear Information System.

    ERIC Educational Resources Information Center

    Balakrishnan, M. R.

    1986-01-01

    Description of the International Nuclear Information System includes its history, organizational structure, subject classification scheme, thesaurus, input standards, and various products and services generated by the system. Appendices provide a list of participating countries, subjects covered by the system, and a sample output record.…

  3. Nuclear structure models: Applications and development

    SciTech Connect

    Semmes, P.B.

    1992-07-01

    This report discusses the following topics: Studies of superdeformed States; Signature Inversion in Odd-Odd Nuclei: A fingerprint of Triaxiality; Signature Inversion in {sup 120}Cs - Evidence for a Residual p-n Interaction; Signatures of {gamma} Deformation in Nuclei and an Application to {sup 125}Xe; Nuclear Spins and Moments: Fundamental Structural Information; and Electromagnetic Properties of {sup 181}Ir: Evidence of {beta} Stretching.

  4. Nuclear structure and sub-barrier fusion

    SciTech Connect

    Esbensen, H. . Cyclotron Lab. Argonne National Lab., IL )

    1990-01-01

    The influence of nuclear structure on heavy-ion fusion and elastic scattering, at energies near and below the Coulomb barrier, is discussed within the coupled channels formalism. The coupled channels approach provides a consistent description of the enhancement of sub-barrier fusion and the energy dependence of the effective potential for elastic scattering. This is illustrated by comparison to the data for several systems. 48 refs., 4 figs.

  5. Computational strategies to address chromatin structure problems.

    PubMed

    Perišić, Ognjen; Schlick, Tamar

    2016-01-01

    While the genetic information is contained in double helical DNA, gene expression is a complex multilevel process that involves various functional units, from nucleosomes to fully formed chromatin fibers accompanied by a host of various chromatin binding enzymes. The chromatin fiber is a polymer composed of histone protein complexes upon which DNA wraps, like yarn upon many spools. The nature of chromatin structure has been an open question since the beginning of modern molecular biology. Many experiments have shown that the chromatin fiber is a highly dynamic entity with pronounced structural diversity that includes properties of idealized zig-zag and solenoid models, as well as other motifs. This diversity can produce a high packing ratio and thus inhibit access to a majority of the wound DNA. Despite much research, chromatin's dynamic structure has not yet been fully described. Long stretches of chromatin fibers exhibit puzzling dynamic behavior that requires interpretation in the light of gene expression patterns in various tissue and organisms. The properties of chromatin fiber can be investigated with experimental techniques, like in vitro biochemistry, in vivo imagining, and high-throughput chromosome capture technology. Those techniques provide useful insights into the fiber's structure and dynamics, but they are limited in resolution and scope, especially regarding compact fibers and chromosomes in the cellular milieu. Complementary but specialized modeling techniques are needed to handle large floppy polymers such as the chromatin fiber. In this review, we discuss current approaches in the chromatin structure field with an emphasis on modeling, such as molecular dynamics and coarse-grained computational approaches. Combinations of these computational techniques complement experiments and address many relevant biological problems, as we will illustrate with special focus on epigenetic modulation of chromatin structure. PMID:27345617

  6. Computational strategies to address chromatin structure problems

    NASA Astrophysics Data System (ADS)

    Perišić, Ognjen; Schlick, Tamar

    2016-06-01

    While the genetic information is contained in double helical DNA, gene expression is a complex multilevel process that involves various functional units, from nucleosomes to fully formed chromatin fibers accompanied by a host of various chromatin binding enzymes. The chromatin fiber is a polymer composed of histone protein complexes upon which DNA wraps, like yarn upon many spools. The nature of chromatin structure has been an open question since the beginning of modern molecular biology. Many experiments have shown that the chromatin fiber is a highly dynamic entity with pronounced structural diversity that includes properties of idealized zig-zag and solenoid models, as well as other motifs. This diversity can produce a high packing ratio and thus inhibit access to a majority of the wound DNA. Despite much research, chromatin’s dynamic structure has not yet been fully described. Long stretches of chromatin fibers exhibit puzzling dynamic behavior that requires interpretation in the light of gene expression patterns in various tissue and organisms. The properties of chromatin fiber can be investigated with experimental techniques, like in vitro biochemistry, in vivo imagining, and high-throughput chromosome capture technology. Those techniques provide useful insights into the fiber’s structure and dynamics, but they are limited in resolution and scope, especially regarding compact fibers and chromosomes in the cellular milieu. Complementary but specialized modeling techniques are needed to handle large floppy polymers such as the chromatin fiber. In this review, we discuss current approaches in the chromatin structure field with an emphasis on modeling, such as molecular dynamics and coarse-grained computational approaches. Combinations of these computational techniques complement experiments and address many relevant biological problems, as we will illustrate with special focus on epigenetic modulation of chromatin structure.

  7. Meeting report: mitosis and nuclear structure.

    PubMed

    Meadows, John C; Graumann, Katja; Platani, Melpi; Schweizer, Nina; Shimi, Takeshi; Vagnarelli, Paola; Gatlin, Jesse C

    2013-11-15

    The Company of Biologists Workshop entitled 'Mitosis and Nuclear Structure' was held at Wiston House, West Sussex in June 2013. It provided a unique and timely opportunity for leading experts from different fields to discuss not only their own work but also its broader context. Here we present the proceedings of this meeting and several major themes that emerged from the crosstalk between the two, as it turns out, not so disparate fields of mitosis and nuclear structure. Co-chaired by Katherine Wilson (Johns Hopkins School of Medicine, Baltimore, MD), Timothy Mitchison (Harvard University, Cambridge, MA) and Michael Rout (Rockefeller University, New York, NY), this workshop brought together a small group of scientists from a range of disciplines to discuss recent advances and connections between the areas of mitosis and nuclear structure research. Several early-career researchers (students, postdoctoral researchers, junior faculty) participated along with 20 senior scientists, including the venerable and affable Nobel Laureate Tim Hunt. Participants were encouraged to embrace unconventional thinking in the 'scientific sandbox' created by this unusual combination of researchers in the inspiring, isolated setting of the 16th-century Wiston House. PMID:24244037

  8. Electromagnetic studies of nucleon and nuclear structure

    SciTech Connect

    Heisenberg, J.H.; Calarco, J.R.; Hersman, F.W.; Dawson, J.F.

    1993-06-01

    Important objectives of the group are the study of subatomic structure through experimental measurements and the interpretation of the data through modeling. The common theme that unifies the studies of strong interactions and hadronic systems is the effort to determine the electromagnetic response as completely as possible. The general approach is coincidence detection of exclusive final states and determination of the dependence on the spin variables using polarized beams and targets and outgoing nucleon polarimetry. Direct reaction and giant resonance studies of electron quasi-elastic scattering on {sup 12}C and {sup 16}O are reported, as well as work on nuclear structure models and instrumentation development.

  9. Nuclear Structure and Decay Data Evaluation: Challenges and Perspectives

    NASA Astrophysics Data System (ADS)

    Kondev, F. G.; Tuli, J. K.

    2003-10-01

    The expression ``Nuclear Structure and Decay Data'' refers to complex nuclear level schemes and tables of numerical values, which quantify fundamental properties of nuclear structure, such as level energies, quantum numbers and state lifetimes, as well as various decay modes and associated radiation. These data are not only at the core of basic nuclear structure and nuclear astrophysics research, but they are also relevant for many applied technologies, including nuclear energy production, reactor design and safety, medical diagnostic and radiotherapy, health physics, environmental research and monitoring, safeguards, material analysis, etc. The mission of the Nuclear Structure and Decay Data Working Group of the US DOE funded Nuclear Data Program is to evaluate, compile, maintain, and disseminate nuclear structure and decay data for all known nuclei (more than 2900!). The network's principal effort is devoted to the timely revision of information in the ENSDF (Evaluated Nuclear Structure Data File) database. However, in recent years, special attention has been given to topical evaluations of properties of particular interest to the nuclear structure community, such as log ft values, α- and proton decay properties, super-deformed and magnetic dipole collective structures, nuclear moments, and nuclear isomers (under development). This presentation will briefly review recent achievements of the network, present on-going activities, and reflect on ideas for future projects and challenges in the field of nuclear structure and decay data evaluation.

  10. New Evaluations and Computational Infrastructure for Management and Visualization of Nuclear Astrophysics Data

    NASA Astrophysics Data System (ADS)

    Nesaraja, C. D.; Smith, M. S.; Bardayan, D. W.; Blackmon, J. C.; Chae, Kyungyuk; Guidry, M. W.; Hix, W. R.; Kozub, R. L.; Lingerfelt, E. J.; Mat, Zhanwen; Meyer, R. A.; Scott, J. P.; Thomas, J. S.

    2005-05-01

    Recent measurements with radioactive beams at ORNL's Holifield Radioactive Ion Beam Facility (HRIBF) have prompted evaluations of the structure and reactions of unstable nuclei that play an important role in stellar explosions. The evaluation work focuses on reactions involving unstable nuclei and their associated level structures. To determine the astrophysical impact of these evaluations and other new nuclear physics results, it is vital to rapidly and accurately process and incorporate them into astrophysics models. We discuss the development of a new computational infrastructure that streamlines this process, and is available online at nucastrodata.org. This site also hyperlinks all available nuclear data sets relevant for nuclear astrophysics studies. Features of the suite and future developments are described.

  11. Computation of Free Molecular Flow in Nuclear Materials

    SciTech Connect

    Casella, Andrew M.; Loyalka, Sudarsham K.; Hanson, Brady D.

    2009-11-11

    Generally the transport of gases and vapors in nuclear materials is adequately described by the diffusion equation with an effective diffusion coefficient. There are instances however, such as transport through porous or cracked media (nuclear fuels, cladding and coating materials, fuel-cladding gap, graphite, rocks, soil) where the diffusion description has limitations. In general, molecular transport is governed by intermolecular forces and collisions (interactions between multiple gas/vapor molecules) and by molecule-surface interactions. However, if nano-scale pathways exist within these materials, as has been suggested, then molecular transport can be characterized as being in the free-molecular flow regime where intermolecular interactions can be ignored and flow is determined entirely by molecule-surface collisions. Our purpose in this investigation is to focus on free molecular transport in fine capillaries of a range of shapes and to explore the effect of geometry on this transport. We have employed Monte Carlo techniques in our calculations, and for simple geometries we have benchmarked our results against some analytical and previously available results. We have used Mathematica® which has exceptional built-in symbolic and graphical capabilities, permitting easy handling of the complicated geometries and good visualization of the results. Our computations provide insights into the role of geometry in molecular transport in nuclear materials with narrow pathways for flows, and also will be useful in guiding computations that include intermolecular collisions and more realistic gas-surface collision operators.

  12. Forging the link between nuclear reactions and nuclear structure

    NASA Astrophysics Data System (ADS)

    Dickhoff, W. H.

    2016-06-01

    A review of the recent applications of the dispersive optical model (DOM) is presented. Emphasis is on the nonlocal implementation of the DOM that is capable of describing ground-state properties accurately when data like the nuclear charge density are available. The present understanding of the role of short- and long-range physics in determining proton properties near the Fermi energy for stable closed-shell nuclei has relied mostly on data from the (e, e' p) reaction. Hadronic tools to extract such spectroscopic information have been hampered by the lack of a consistent reaction description that provides unambiguous and undisputed results. The DOM, conceived by Claude Mahaux, provides a unified description of both elastic nucleon scattering and structure information related to single-particle properties below the Fermi energy. We have recently introduced a nonlocal dispersive optical potential for both the real and imaginary part. Nonlocal absorptive potentials yield equivalent elastic differential cross sections for 40Ca as compared to local ones but change the l-dependent absorption profile suggesting important consequences for the analysis of nuclear reactions. Below the Fermi energy, nonlocality is essential for an accurate representation of particle number and the nuclear charge density. Spectral properties implied by (e, e' p) and (p, 2p) reactions are correctly described, including the energy distribution of about 10% high-momentum protons obtained at Jefferson Lab. The nonlocal DOM allows a complete description of experimental data both above (up to 200 MeV) and below the Fermi energy in 40Ca. It is further demonstrated that elastic nucleon-nucleus scattering data constrain the spectral strength in the continuum of orbits that are nominally bound in the independent-particle model. Extension of this analysis to 48Ca allows a prediction of the neutron skin of this nucleus that is larger than most predictions made so far.

  13. Probabilistic Computational Methods in Structural Failure Analysis

    NASA Astrophysics Data System (ADS)

    Krejsa, Martin; Kralik, Juraj

    2015-12-01

    Probabilistic methods are used in engineering where a computational model contains random variables. Each random variable in the probabilistic calculations contains uncertainties. Typical sources of uncertainties are properties of the material and production and/or assembly inaccuracies in the geometry or the environment where the structure should be located. The paper is focused on methods for the calculations of failure probabilities in structural failure and reliability analysis with special attention on newly developed probabilistic method: Direct Optimized Probabilistic Calculation (DOProC), which is highly efficient in terms of calculation time and the accuracy of the solution. The novelty of the proposed method lies in an optimized numerical integration that does not require any simulation technique. The algorithm has been implemented in mentioned software applications, and has been used several times in probabilistic tasks and probabilistic reliability assessments.

  14. Inspection of Nuclear Power Plant Containment Structures

    SciTech Connect

    Graves, H.L.; Naus, D.J.; Norris, W.E.

    1998-12-01

    Safety-related nuclear power plant (NPP) structures are designed to withstand loadings from a number of low-probability external and interval events, such as earthquakes, tornadoes, and loss-of-coolant accidents. Loadings incurred during normal plant operation therefore generally are not significant enough to cause appreciable degradation. However, these structures are susceptible to aging by various processes depending on the operating environment and service conditions. The effects of these processes may accumulate within these structures over time to cause failure under design conditions, or lead to costly repair. In the late 1980s and early 1990s several occurrences of degradation of NPP structures were discovered at various facilities (e.g., corrosion of pressure boundary components, freeze- thaw damage of concrete, and larger than anticipated loss of prestressing force). Despite these degradation occurrences and a trend for an increasing rate of occurrence, in-service inspection of the safety-related structures continued to be performed in a somewhat cursory manner. Starting in 1991, the U.S. Nuclear Regulatory Commission (USNRC) published the first of several new requirements to help ensure that adequate in-service inspection of these structures is performed. Current regulatory in-service inspection requirements are reviewed and a summary of degradation experience presented. Nondestructive examination techniques commonly used to inspect the NPP steel and concrete structures to identify and quantify the amount of damage present are reviewed. Finally, areas where nondestructive evaluation techniques require development (i.e., inaccessible portions of the containment pressure boundary, and thick heavily reinforced concrete sections are discussed.

  15. Structural Biology of Nuclear Auxin Action.

    PubMed

    Dinesh, Dhurvas Chandrasekaran; Villalobos, Luz Irina A Calderón; Abel, Steffen

    2016-04-01

    Auxin coordinates plant development largely via hierarchical control of gene expression. During the past decades, the study of early auxin genes paired with the power of Arabidopsis genetics have unraveled key nuclear components and molecular interactions that perceive the hormone and activate primary response genes. Recent research in the realm of structural biology allowed unprecedented insight into: (i) the recognition of auxin-responsive DNA elements by auxin transcription factors; (ii) the inactivation of those auxin response factors by early auxin-inducible repressors; and (iii) the activation of target genes by auxin-triggered repressor degradation. The biophysical studies reviewed here provide an impetus for elucidating the molecular determinants of the intricate interactions between core components of the nuclear auxin response module. PMID:26651917

  16. Nuclear structure of {sup 102}Mo

    SciTech Connect

    Rahman, M.A.; Chowdhury, M.S.

    2006-05-15

    Nuclear structure of the {sup 102}Mo nucleus has been studied using the {sup 100}Mo(t,p){sup 102}Mo reaction with the triton beam energy of 12 MeV obtained from the tandem Van de Graaff accelerator and a multichannel magnetic spectrograph. Proton spectra are obtained at 12 different angles from 5 deg. to 87.5 deg., at an interval of 7.5 deg. and are detected in nuclear emulsion plates. Thirty-five levels in the energy range from 0.000 to 3.248 MeV have been observed. The results yield a number of new levels with spin assignments. Absolute differential cross sections for the levels have been measured. The experimental angular distributions are compared with the theoretical distorted-wave Born approximation calculations to determine L and J{sup {pi}} values. The present results are compared with the previous results.

  17. Gogny HFB prediction of nuclear structure properties

    SciTech Connect

    Goriely, S.; Hilaire, S.; Girod, M.

    2011-10-28

    Large scale mean field calculations from proton to neutron drip lines have been performed using the Hartree-Fock-Bogoliubov method based on the Gogny nucleon-nucleon effective interaction. This extensive study has shown the ability of the method to reproduce bulk nuclear structure data available experimentally. This includes nuclear masses, radii, matter densities, deformations, moment of inertia as well as collective mode (low energy and giant resonances). In particular, the first mass table based on a Gogny-Hartree-Fock-Bogolyubov calculation including an explicit and coherent account of all the quadrupole correlation energies is presented. The rms deviation with respect to essentially all the available mass data is 798 keV. Nearly 8000 nuclei have been studied under the axial symmetry hypothesis and going beyond the mean-field approach.

  18. NASA Workshop on Computational Structural Mechanics 1987, part 1

    NASA Technical Reports Server (NTRS)

    Sykes, Nancy P. (Editor)

    1989-01-01

    Topics in Computational Structural Mechanics (CSM) are reviewed. CSM parallel structural methods, a transputer finite element solver, architectures for multiprocessor computers, and parallel eigenvalue extraction are among the topics discussed.

  19. Structural computational modeling of RNA aptamers.

    PubMed

    Xu, Xiaojun; Dickey, David D; Chen, Shi-Jie; Giangrande, Paloma H

    2016-07-01

    RNA aptamers represent an emerging class of biologics that can be easily adapted for personalized and precision medicine. Several therapeutic aptamers with desirable binding and functional properties have been developed and evaluated in preclinical studies over the past 25years. However, for the majority of these aptamers, their clinical potential has yet to be realized. A significant hurdle to the clinical adoption of this novel class of biologicals is the limited information on their secondary and tertiary structure. Knowledge of the RNA's structure would greatly facilitate and expedite the post-selection optimization steps required for translation, including truncation (to reduce costs of manufacturing), chemical modification (to enhance stability and improve safety) and chemical conjugation (to improve drug properties for combinatorial therapy). Here we describe a structural computational modeling methodology that when coupled to a standard functional assay, can be used to determine key sequence and structural motifs of an RNA aptamer. We applied this methodology to enable the truncation of an aptamer to prostate specific membrane antigen (PSMA) with great potential for targeted therapy that had failed previous truncation attempts. This methodology can be easily applied to optimize other aptamers with therapeutic potential. PMID:26972787

  20. Structural computational modeling of RNA aptamers

    PubMed Central

    Xu, Xiaojun; Dickey, David D.; Chen, Shi-Jie; Giangrande, Paloma H.

    2016-01-01

    RNA aptamers represent an emerging class of biologics that can be easily adapted for personalized and precision medicine. Several therapeutic aptamers with desirable binding and functional properties have been developed and evaluated in preclinical studies over the past 25 years. However, for the majority of these aptamers, their clinical potential has yet to be realized. A significant hurdle to the clinical adoption of this novel class of biologicals is the limited information on their secondary and tertiary structure. Knowledge of the RNA’s structure would greatly facilitate and expedite the post-selection optimization steps required for translation, including truncation (to reduce costs of manufacturing), chemical modification (to enhance stability and improve safety) and chemical conjugation (to improve drug properties for combinatorial therapy). Here we describe a structural computational modeling methodology that when coupled to a standard functional assay, can be used to determine key sequence and structural motifs of an RNA aptamer. We applied this methodology to enable the truncation of an aptamer to prostate specific membrane antigen (PSMA) with great potential for targeted therapy that had failed previous truncation attempts. This methodology can be easily applied to optimize other aptamers with therapeutic potential. PMID:26972787

  1. Nuclear structure/nuclei far from stability

    SciTech Connect

    Casten, R.F.; Garrett, J.D.; Moller, P.; Bauer, W.W.; Brenner, D.S.; Butler, G.W.; Crawford, J.E.; Davids, C.N.; Dyer, P.L.; Gregorich, K.; Hagbert, E.G.; Hamilton, W.D.; Harar, S.; Haustein, P.E.; Hayes, A.C.; Hoffman, D.C.; Hsu, H.H.; Madland, D.G.; Myers, W.D.; Penttila, H.T.; Ragnarsson, I.; Reeder, P.L.; Robertson, G.H.; Rowley, N.; Schreiber, F.; Seifert, H.L.; Sherrill, B.M.; Siciliano, E.R.; Sprouse, G.D.; Stephens, F

    1990-01-01

    This report outlines some of the nuclear structure topics discussed at the Los Alamos Workshop on the Science of Intense Radioactive Ion Beams (RIB). In it we also tried to convey some of the excitement of the participants for utilizing RIBs in their future research. The introduction of radioactive beams promises to be a major milestone for nuclear structure perhaps even more important than the last such advance in beams based on the advent of heavy-ion accelerators in the 1960's. RIBs not only will allow a vast number of new nuclei to be studies at the extremes of isospin, but the variety of combinations of exotic proton and neutron configurations should lead to entirely new phenomena. A number of these intriguing new studies and the profound consequences that they promise for understanding the structure of the atomic nucleus, nature's only many-body, strongly-inteacting quantum system, are discussed in the preceeding sections. However, as with any scientific frontier, the most interesting phenomena probably will be those that are not anticipated--they will be truly new.

  2. Gluon production at high transverse momentum in the McLerran-Venugopalan model of nuclear structure functions

    SciTech Connect

    Kovner, A.; McLerran, L.; Weigert, H.

    1995-10-01

    We consider the production of high transverse momentum gluons in the McLerran-Venugopalan model of nuclear structure functions. We explicitly compute the high momentum component in this model. We compute the nuclear target size {ital A} dependence of the distribution of produced gluons.

  3. Gluon production at high transverse momentum in the McLerran-Venugopalan model of nuclear structure functions

    NASA Astrophysics Data System (ADS)

    Kovner, Alex; McLerran, Larry; Weigert, Heribert

    1995-10-01

    We consider the production of high transverse momentum gluons in the McLerran-Venugopalan model of nuclear structure functions. We explicitly compute the high momentum component in this model. We compute the nuclear target size A dependence of the distribution of produced gluons.

  4. Superheavy Element Synthesis And Nuclear Structure

    SciTech Connect

    Ackermann, D.; Block, M.; Burkhard, H.-G.; Heinz, S.; Hessberger, F. P.; Khuyagbaatar, J.; Kojouharov, I.; Mann, R.; Maurer, J.; Antalic, S.; Saro, S.; Venhart, M.; Hofmann, S.; Leino, M.; Uusitalo, J.; Nishio, K.; Popeko, A. G.; Yeremin, A. V.

    2009-08-26

    After the successful progress in experiments to synthesize superheavy elements (SHE) throughout the last decades, advanced nuclear structure studies in that region have become feasible in recent years thanks to improved accelerator, separation and detection technology. The means are evaporation residue(ER)-alpha-alpha and ER-alpha-gamma coincidence techniques complemented by conversion electron (CE) studies, applied after a separator. Recent examples of interesting physics to be discovered in this region of the chart of nuclides are the studies of K-isomers observed in {sup 252,254}No and in {sup 270}Ds.

  5. Sensitivity analysis using computer calculus: A nuclear waste isolation application

    SciTech Connect

    Oblow, E.M.; Pin, F.G.; Wright, R.Q.

    1986-09-01

    An automated procedure for performing large-scale sensitivity studies based on the use of computer calculus is presented. The procedure is embodied in a FORTRAN precompiler called GRESS, which automatically processes computer models adding derivative-taking capabilities to the normal calculated results. The theory and applicability of the GRESS codes are described and tested against a major geohydrological modeling problem. The SWENT nuclear waste repository modeling code is used as the basis for these studies. Results for a test problem involving groundwater flow in the vicinity of the Richton Salt Dome are discussed in detail. Sensitivity results are compared with analytical, perturbation, and alternate sensitivity approaches to the problem. Five-place accuracy in these sensitivity results is verified for all cases in which the effects of nonlinearities are made sufficiently small. Conclusions are drawn as to the applicability of GRESS in the problem studied and for more general large-scale modeling sensitivity studies.

  6. Chiral nucleon-nucleon forces in nuclear structure calculations

    NASA Astrophysics Data System (ADS)

    Coraggio, L.; Gargano, A.; Holt, J. W.; Itaco, N.; Machleidt, R.; Marcucci, L. E.; Sammarruca, F.

    2016-05-01

    Realistic nuclear potentials, derived within chiral perturbation theory, are a major breakthrough in modern nuclear structure theory, since they provide a direct link between nuclear physics and its underlying theory, namely the QCD. As a matter of fact, chiral potentials are tailored on the low-energy regime of nuclear structure physics, and chiral perturbation theory provides on the same footing two-nucleon forces as well as many-body ones. This feature fits well with modern advances in ab-initio methods and realistic shell-model. Here, we will review recent nuclear structure calculations, based on realistic chiral potentials, for both finite nuclei and infinite nuclear matter.

  7. A personal computer-based nuclear magnetic resonance spectrometer

    NASA Astrophysics Data System (ADS)

    Job, Constantin; Pearson, Robert M.; Brown, Michael F.

    1994-11-01

    Nuclear magnetic resonance (NMR) spectroscopy using personal computer-based hardware has the potential of enabling the application of NMR methods to fields where conventional state of the art equipment is either impractical or too costly. With such a strategy for data acquisition and processing, disciplines including civil engineering, agriculture, geology, archaeology, and others have the possibility of utilizing magnetic resonance techniques within the laboratory or conducting applications directly in the field. Another aspect is the possibility of utilizing existing NMR magnets which may be in good condition but unused because of outdated or nonrepairable electronics. Moreover, NMR applications based on personal computer technology may open up teaching possibilities at the college or even secondary school level. The goal of developing such a personal computer (PC)-based NMR standard is facilitated by existing technologies including logic cell arrays, direct digital frequency synthesis, use of PC-based electrical engineering software tools to fabricate electronic circuits, and the use of permanent magnets based on neodymium-iron-boron alloy. Utilizing such an approach, we have been able to place essentially an entire NMR spectrometer console on two printed circuit boards, with the exception of the receiver and radio frequency power amplifier. Future upgrades to include the deuterium lock and the decoupler unit are readily envisioned. The continued development of such PC-based NMR spectrometers is expected to benefit from the fast growing, practical, and low cost personal computer market.

  8. Semigroups And Computer Algebra In Discrete Structures

    NASA Astrophysics Data System (ADS)

    Bijev, G.

    2010-10-01

    Some concepts in semigroup theory are interpreted in discrete structures such as finite lattices, binary relations, and finite semilattices. An algebraic approach to the pseudoinverse generalization problem in Boolean vector spaces is used. By analogy with the linear spaces in the linear algebra semilattice homomorphisms, isomorphisms, projections on Boolean vector spaces are defined and some properties of them are investigated in detail. Maps, corresponding to them in the linear algebra, are connected with matrices and their pseudouinverse. Important properties of these maps, which are essential for solving linear systems, remain the same in the Boolean vector spaces. Stochastic experiments using the maps defined and computer algebra methods have been made for solving linear equations Ax = b. The Hamming distance between b and the projection p(b) = Ax of b is equal or close to the least possible one, if the system has no solutions.

  9. Multiple multipole program computation of periodic structures

    NASA Astrophysics Data System (ADS)

    Hafner, Ch.

    1995-05-01

    The three-dimensional multiple multipole program (MMP) code based on the generalized multipole technique is outlined for readers who are not familiar with its concepts. This code was originally designed for computational electromagnetics. Rayleigh expansions and periodic boundary conditions are two new features that make MMP computations of arbitrary periodic structures efficient and that at the same time allow us to take advantage of the benefits of other MMP features, including surface impedance boundary conditions and a variety of available basis functions for modeling the electromagnetic field. The application of three-dimensional MMP to a simple grating of highly conducting wires with rectangular cross sections illustrates the high accuracy and the fast convergence of the method as well as the use of surface impedance boundary conditions. A more complicated biperiodic array of helical antennas demonstrates the application of thin-wire expansions in conjunction with regular MMP expansions. This model can be considered a simulation of a thin, anisotropic chiral slab with interesting characteristics.

  10. Computational Modeling in Structural Materials Processing

    NASA Technical Reports Server (NTRS)

    Meyyappan, Meyya; Arnold, James O. (Technical Monitor)

    1997-01-01

    High temperature materials such as silicon carbide, a variety of nitrides, and ceramic matrix composites find use in aerospace, automotive, machine tool industries and in high speed civil transport applications. Chemical vapor deposition (CVD) is widely used in processing such structural materials. Variations of CVD include deposition on substrates, coating of fibers, inside cavities and on complex objects, and infiltration within preforms called chemical vapor infiltration (CVI). Our current knowledge of the process mechanisms, ability to optimize processes, and scale-up for large scale manufacturing is limited. In this regard, computational modeling of the processes is valuable since a validated model can be used as a design tool. The effort is similar to traditional chemically reacting flow modeling with emphasis on multicomponent diffusion, thermal diffusion, large sets of homogeneous reactions, and surface chemistry. In the case of CVI, models for pore infiltration are needed. In the present talk, examples of SiC nitride, and Boron deposition from the author's past work will be used to illustrate the utility of computational process modeling.

  11. THE RADIATION SAFETY INFORMATION COMPUTATIONAL CENTER: A RESOURCE FOR REACTOR DOSIMETRY SOFTWARE AND NUCLEAR DATA

    SciTech Connect

    Kirk, Bernadette Lugue

    2009-01-01

    The Radiation Safety Information Computational Center (RSICC) was established in 1963 to collect and disseminate computational nuclear technology in the form of radiation transport, shielding and safety software and corresponding nuclear cross sections. Approximately 1700 nuclear software and data packages are in the RSICC collection, and the majority are applicable to reactor dosimetry.

  12. The Radiation Safety Information Computational Center:. a Resource for Reactor Dosimetry Software and Nuclear Data

    NASA Astrophysics Data System (ADS)

    Kirk, B. L.

    2009-08-01

    The Radiation Safety Information Computational Center (RSICC) was established in 1963 to collect and disseminate computational nuclear technology in the form of radiation transport, shielding and safety software and corresponding nuclear cross sections. Approximately 1700 nuclear software and data packages are in the RSICC collection, and the majority are applicable to reactor dosimetry.

  13. NASA Workshop on Computational Structural Mechanics 1987, part 3

    NASA Technical Reports Server (NTRS)

    Sykes, Nancy P. (Editor)

    1989-01-01

    Computational Structural Mechanics (CSM) topics are explored. Algorithms and software for nonlinear structural dynamics, concurrent algorithms for transient finite element analysis, computational methods and software systems for dynamics and control of large space structures, and the use of multi-grid for structural analysis are discussed.

  14. High-performance computing in structural mechanics and engineering

    SciTech Connect

    Adeli, H.; Kamat, M.P.; Kulkarni, G.; Vanluchene, R.D. Georgia Inst. of Technology, Atlanta Montana State Univ., Bozeman )

    1993-07-01

    Recent advances in computer hardware and software have made multiprocessing a viable and attractive technology. This paper reviews high-performance computing methods in structural mechanics and engineering through the use of a new generation of multiprocessor computers. The paper presents an overview of vector pipelining, performance metrics for parallel and vector computers, programming languages, and general programming considerations. Recent developments in the application of concurrent processing techniques to the solution of structural mechanics and engineering problems are reviewed, with special emphasis on linear structural analysis, nonlinear structural analysis, transient structural analysis, dynamics of multibody flexible systems, and structural optimization. 64 refs.

  15. Challenges in structural analysis for deformed nuclear reactivity assessments.

    SciTech Connect

    Tallman, Tyler N.; Smith, Jeffrey A.; Villa, Daniel L.

    2010-09-01

    Launch safety calculations for past space reactor concepts have usually been limited to immersion of the reactor in water and/or sand, using nominal system geometries or in some cases simplified compaction scenarios. Deformation of the reactor core by impact during the accident sequence typically has not been considered because of the complexity of the calculation. Recent advances in codes and computing power have made such calculations feasible. The accuracy of such calculations depends primarily on the underlying structural analysis. Even though explicit structural dynamics is a mature field, nuclear reactors present significant challenges to obtain accurate deformation predictions. The presence of a working fluid is one of the primary contributors to challenges in these predictions. The fluid-structure interaction cannot be neglected because the fluid surrounds the nuclear fuel which is the most important region in the analysis. A detailed model of a small eighty-five pin reactor was built with the working fluid modeled as smoothed particle hydrodynamic (SPH) elements. Filling the complex volume covered by the working fluid with SPH elements required development of an algorithm which eliminates overlaps between hexahedral and SPH elements. The results with and without the working fluid were found to be considerably different with respect to reactivity predictions.

  16. Computational methods in sequence and structure prediction

    NASA Astrophysics Data System (ADS)

    Lang, Caiyi

    This dissertation is organized into two parts. In the first part, we will discuss three computational methods for cis-regulatory element recognition in three different gene regulatory networks as the following: (a) Using a comprehensive "Phylogenetic Footprinting Comparison" method, we will investigate the promoter sequence structures of three enzymes (PAL, CHS and DFR) that catalyze sequential steps in the pathway from phenylalanine to anthocyanins in plants. Our result shows there exists a putative cis-regulatory element "AC(C/G)TAC(C)" in the upstream of these enzyme genes. We propose this cis-regulatory element to be responsible for the genetic regulation of these three enzymes and this element, might also be the binding site for MYB class transcription factor PAP1. (b) We will investigate the role of the Arabidopsis gene glutamate receptor 1.1 (AtGLR1.1) in C and N metabolism by utilizing the microarray data we obtained from AtGLR1.1 deficient lines (antiAtGLR1.1). We focus our investigation on the putatively co-regulated transcript profile of 876 genes we have collected in antiAtGLR1.1 lines. By (a) scanning the occurrence of several groups of known abscisic acid (ABA) related cisregulatory elements in the upstream regions of 876 Arabidopsis genes; and (b) exhaustive scanning of all possible 6-10 bps motif occurrence in the upstream regions of the same set of genes, we are able to make a quantative estimation on the enrichment level of each of the cis-regulatory element candidates. We finally conclude that one specific cis-regulatory element group, called "ABRE" elements, are statistically highly enriched within the 876-gene group as compared to their occurrence within the genome. (c) We will introduce a new general purpose algorithm, called "fuzzy REDUCE1", which we have developed recently for automated cis-regulatory element identification. In the second part, we will discuss our newly devised protein design framework. With this framework we have developed

  17. The TRIUMF nuclear structure program and TIGRESS

    SciTech Connect

    Garrett, P E; Andreyev, A; E.Austin, R A; Ball, G C; Bandyopadhyay, D; Becker, J A; Boston, A; Boston, H; Charkrawarthy, R S; Churchman, R; Cline, D; Cooper, R J; Cross, D; Dashdorj, D; Demand, G A; Dimmock, M R; Drake, T; Finlay, P; Gagnon, K; Gallant, A T; Green, K L; Grint, A N; Grinyer, G F; Hackman, G; Harkness, L J; Hayes, A B; Kanungo, R; Kulp, W D; Leach, K G; Lee, G; Leslie, J R; Maharaj, R; Martin, J P; Mattoon, C; Mills, W J; Morton, A C; Nelson, L; Newman, O; Nolan, P J; Padilla-Rodal, E; Pearson, C J; Phillips, A A; Porter-Peden, M; Ressler, J J; Ruiz, C; Sarazin, F; Schumaker, M A; Scraggs, D P; Strange, M T; Subramanian, M; Svensson, C E; Waddington, J C; Wan, J; Whitebeck, A; Williams, S J; Wood, J L; Wong, J C; Wu, C Y; Zganjar, E F

    2006-08-30

    The Isotope Separator and Accelerator (ISAC) facility located at the TRIUMF laboratory in Vancouver, Canada, is one of the world's most advanced ISOL-type radioactive ion beam facilities. An extensive {gamma}-ray spectroscopy program at ISAC is centered around two major research facilities: (1) the 8{pi} {gamma}-ray spectrometer for {beta}-delayed {gamma}-ray spectroscopy experiments with the low-energy beams from ISAC-I, and (2) the next-generation TRIUMF-ISAC Gamma-Ray Escape Suppressed Spectrometer (TIGRESS) for in-beam experiments with the accelerated radioactive ion beams. An overview of these facilities and recent results from the diverse program of nuclear structure and fundamental interaction studies they support is presented.

  18. Nuclear Reaction and Structure Databases of the National Nuclear Data Center

    SciTech Connect

    Pritychenko, B.; Arcilla, R.; Herman, M. W.; Oblozinsky, P.; Rochman, D.; Sonzogni, A. A.; Tuli, J. K.; Winchell, D. F.

    2006-03-13

    The National Nuclear Data Center (NNDC) collects, evaluates, and disseminates nuclear physics data for basic research and applied nuclear technologies. In 2004, the NNDC migrated all databases into modern relational database software, installed new generation of Linux servers and developed new Java-based Web service. This nuclear database development means much faster, more flexible and more convenient service to all users in the United States. These nuclear reaction and structure database developments as well as related Web services are briefly described.

  19. Parallel software support for computational structural mechanics

    NASA Technical Reports Server (NTRS)

    Jordan, Harry F.

    1987-01-01

    The application of the parallel programming methodology known as the Force was conducted. Two application issues were addressed. The first involves the efficiency of the implementation and its completeness in terms of satisfying the needs of other researchers implementing parallel algorithms. Support for, and interaction with, other Computational Structural Mechanics (CSM) researchers using the Force was the main issue, but some independent investigation of the Barrier construct, which is extremely important to overall performance, was also undertaken. Another efficiency issue which was addressed was that of relaxing the strong synchronization condition imposed on the self-scheduled parallel DO loop. The Force was extended by the addition of logical conditions to the cases of a parallel case construct and by the inclusion of a self-scheduled version of this construct. The second issue involved applying the Force to the parallelization of finite element codes such as those found in the NICE/SPAR testbed system. One of the more difficult problems encountered is the determination of what information in COMMON blocks is actually used outside of a subroutine and when a subroutine uses a COMMON block merely as scratch storage for internal temporary results.

  20. Semigroups and computer algebra in algebraic structures

    NASA Astrophysics Data System (ADS)

    Bijev, G.

    2012-11-01

    Some concepts in semigroup theory can be interpreted in several algebraic structures. A generalization fA,B,fA,B(X) = A(X')B of the complement operator (') on Boolean matrices is made, where A and B denote any rectangular Boolean matrices. While (') is an isomorphism between Boolean semilattices, the generalized complement operator is homomorphism in the general case. The map fA,B and its general inverse (fA,B)+ have quite similar properties to those in the linear algebra and are useful for solving linear equations in Boolean matrix algebras. For binary relations on a finite set, necessary and sufficient conditions for the equation αξβ = γ to have a solution ξ are proved. A generalization of Green's equivalence relations in semigroups for rectangular matrices is proposed. Relationships between them and the Moore-Penrose inverses are investigated. It is shown how any generalized Green's H-class could be constructed by given its corresponding linear subspaces and converted into a group isomorphic to a linear group. Some information about using computer algebra methods concerning this paper is given.

  1. Computer architecture evaluation for structural dynamics computations: Project summary

    NASA Technical Reports Server (NTRS)

    Standley, Hilda M.

    1989-01-01

    The intent of the proposed effort is the examination of the impact of the elements of parallel architectures on the performance realized in a parallel computation. To this end, three major projects are developed: a language for the expression of high level parallelism, a statistical technique for the synthesis of multicomputer interconnection networks based upon performance prediction, and a queueing model for the analysis of shared memory hierarchies.

  2. Parallel algorithms and archtectures for computational structural mechanics

    NASA Technical Reports Server (NTRS)

    Patrick, Merrell; Ma, Shing; Mahajan, Umesh

    1989-01-01

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

  3. Overview of computational structural methods for modern military aircraft

    NASA Technical Reports Server (NTRS)

    Kudva, J. N.

    1992-01-01

    Computational structural methods are essential for designing modern military aircraft. This briefing deals with computational structural methods (CSM) currently used. First a brief summary of modern day aircraft structural design procedures is presented. Following this, several ongoing CSM related projects at Northrop are discussed. Finally, shortcomings in this area, future requirements, and summary remarks are given.

  4. Computational technology for high-temperature aerospace structures

    NASA Technical Reports Server (NTRS)

    Noor, A. K.; Card, M. F.

    1992-01-01

    The status and some recent developments of computational technology for high-temperature aerospace structures are summarized. Discussion focuses on a number of aspects including: goals of computational technology for high-temperature structures; computational material modeling; life prediction methodology; computational modeling of high-temperature composites; error estimation and adaptive improvement strategies; strategies for solution of fluid flow/thermal/structural problems; and probabilistic methods and stochastic modeling approaches, integrated analysis and design. Recent trends in high-performance computing environment are described and the research areas which have high potential for meeting future technological needs are identified.

  5. An integrated computer system for Fudan nuclear microprobe

    NASA Astrophysics Data System (ADS)

    Zou, Degang; Ren, Chigang; Tang, Jiayong; Yang, Fujia

    1995-09-01

    With the help of modern personal computer (PC) and object oriented programming (OOP) technology, we have recently developed a compact, integrated, user-friendly computer system for Fudan nuclear microprobe, which was originally modeled after the SUNY/Albany system. The system software has been thoroughly rewritten so as to take advantage of today's high-performance PC and facilitate easy upgrading and expansion in the case of future development of both hardware and software. Most functions of this system such as sample searching, scanning control, data acquisition, image processing and displaying, are based on a single 80386 IBM style PC with a 1-MB DRAM TVGA high-resolution monitor. Data from up to 4 ADCs, 4 sensors and a CCD camera can be acquired simultaneously. Two stepper motors are employed to move the target; a CCD camera system is also included to locate the area of interest on the sample; the secondary electron image could act as a reference to fine adjustment. Rectangular raster scanning or irregular scanning is facilitated with beam motion triggered either by a timer or by pulses from a current integrator. A variety of built-in image displaying, processing and printing methods have also been implemented in order to make the maps easier to interpret for the eyes. All of these functions are administrated by an integrated, completely menu-driven software package-MBSYS.

  6. Computational structural mechanics methods research using an evolving framework

    NASA Technical Reports Server (NTRS)

    Knight, N. F., Jr.; Lotts, C. G.; Gillian, R. E.

    1990-01-01

    Advanced structural analysis and computational methods that exploit high-performance computers are being developed in a computational structural mechanics research activity sponsored by the NASA Langley Research Center. These new methods are developed in an evolving framework and applied to representative complex structural analysis problems from the aerospace industry. An overview of the methods development environment is presented, and methods research areas are described. Selected application studies are also summarized.

  7. Accelerating Full Configuration Interaction Calculations for Nuclear Structure

    SciTech Connect

    Yang, Chao; Sternberg, Philip; Maris, Pieter; Ng, Esmond; Sosonkina, Masha; Le, Hung Viet; Vary, James; Yang, Chao

    2008-04-14

    One of the emerging computational approaches in nuclear physics is the full configuration interaction (FCI) method for solving the many-body nuclear Hamiltonian in a sufficiently large single-particle basis space to obtain exact answers - either directly or by extrapolation. The lowest eigenvalues and correspondingeigenvectors for very large, sparse and unstructured nuclear Hamiltonian matrices are obtained and used to evaluate additional experimental quantities. These matrices pose a significant challenge to the design and implementation of efficient and scalable algorithms for obtaining solutions on massively parallel computer systems. In this paper, we describe the computational strategies employed in a state-of-the-art FCI code MFDn (Many Fermion Dynamics - nuclear) as well as techniques we recently developed to enhance the computational efficiency of MFDn. We will demonstrate the current capability of MFDn and report the latest performance improvement we have achieved. We will also outline our future research directions.

  8. Application of desktop computers in nuclear engineering education

    SciTech Connect

    Graves, H.W. Jr. )

    1990-01-01

    Utilization of desktop computers in the academic environment is based on the same objectives as in the industrial environment - increased quality and efficiency. Desktop computers can be extremely useful teaching tools in two general areas: classroom demonstrations and homework assignments. Although differences in emphasis exist, tutorial programs share many characteristics with interactive software developed for the industrial environment. In the Reactor Design and Fuel Management course at the University of Maryland, several interactive tutorial programs provided by Energy analysis Software Service have been utilized. These programs have been designed to be sufficiently structured to permit an orderly, disciplined solution to the problem being solved, and yet be flexible enough to accommodate most problem solution options.

  9. Nuclear Structure and Decay Data: Current Status and Future Perspectives

    SciTech Connect

    Kondev, Filip G.; Tuli, Jagdish K.

    2006-03-13

    The nuclear structure databases provide physicists around the world with a useful collection of reliable and well documented datasets. The Evaluated Nuclear Structure Data File (ENSDF) database, produced by the International Nuclear Structure and Decay Data Network (NSDD) under the auspices of the International Atomic Energy Agency (IAEA), contains evaluated experimental information for all known nuclei. The bibliographical database Nuclear Science References (NSR) provides references to published data in the field of Nuclear Physics. The Experimental Unevaluated Nuclear Data List (XUNDL) provides a method for rapid access to formatted (compiled) data from recently published articles. Detailed information regarding these databases, as well as other products and services, can be found at the National Nuclear Data Center (NNDC) and IAEA web portals.

  10. Investigations of nuclear structure and nuclear reactions induced by complex projectiles

    SciTech Connect

    Sarantites, D.G.

    1990-01-01

    This report discusses research in the following areas: nuclear structure; fusion reactions near and below the barrier; incomplete fusion and fragmentation reactions; and instrumentation and analysis. (LSP).

  11. New computing systems, future computing environment, and their implications on structural analysis and design

    NASA Technical Reports Server (NTRS)

    Noor, Ahmed K.; Housner, Jerrold M.

    1993-01-01

    Recent advances in computer technology that are likely to impact structural analysis and design of flight vehicles are reviewed. A brief summary is given of the advances in microelectronics, networking technologies, and in the user-interface hardware and software. The major features of new and projected computing systems, including high performance computers, parallel processing machines, and small systems, are described. Advances in programming environments, numerical algorithms, and computational strategies for new computing systems are reviewed. The impact of the advances in computer technology on structural analysis and the design of flight vehicles is described. A scenario for future computing paradigms is presented, and the near-term needs in the computational structures area are outlined.

  12. Nuclear structure in the dinuclear model with rotating clusters

    SciTech Connect

    Adamian, G. G.; Antonenko, N. V.; Jolos, R. V.; Palchikov, Yu. V.; Shneidman, T. M.; Scheid, W.

    2007-08-15

    The dinuclear-system model can be applied to nuclear structure. Here, we study deformed clusters which rotate with respect to the internuclear distance and exchange nucleons. The model can be used to explain the band structure of nuclear spectra, especially the parity splitting observed in actinides, e.g., in {sup 238}U.

  13. Structured Design Language for Computer Programs

    NASA Technical Reports Server (NTRS)

    Pace, Walter H., Jr.

    1986-01-01

    Box language used at all stages of program development. Developed to provide improved productivity in designing, coding, and maintaining computer programs. BOX system written in FORTRAN 77 for batch execution.

  14. SEYFERT GALAXIES: NUCLEAR RADIO STRUCTURE AND UNIFICATION

    SciTech Connect

    Lal, Dharam V.; Shastri, Prajval; Gabuzda, Denise C.

    2011-04-10

    A radio study of a carefully selected sample of 20 Seyfert galaxies that are matched in orientation-independent parameters, which are measures of intrinsic active galactic nucleus power and host galaxy properties, is presented to test the predictions of the unified scheme hypothesis. Our sample sources have core flux densities greater than 8 mJy at 5 GHz on arcsec scales due to the feasibility requirements. These simultaneous parsec-scale and kiloparsec-scale radio observations reveal (1) that Seyfert 1 and Seyfert 2 galaxies have an equal tendency to show compact radio structures on milliarcsecond scales, (2) the distributions of parsec-scale and kiloparsec-scale radio luminosities are similar for both Seyfert 1 and Seyfert 2 galaxies, (3) there is no evidence for relativistic beaming in Seyfert galaxies, (4) similar distributions of source spectral indices in spite of the fact that Seyferts show nuclear radio flux density variations, and (5) the distributions of the projected linear size for Seyfert 1 and Seyfert 2 galaxies are not significantly different as would be expected in the unified scheme. The latter could be mainly due to a relatively large spread in the intrinsic sizes. We also find that a starburst alone cannot power these radio sources. Finally, an analysis of the kiloparsec-scale radio properties of the CfA Seyfert galaxy sample shows results consistent with the predictions of the unified scheme.

  15. Structural integrity of nuclear reactor pressure vessels

    NASA Astrophysics Data System (ADS)

    Knott, John F.

    2013-09-01

    The paper starts from concerns expressed by Sir Alan Cottrell, in the early 1970s, related to the safety of the pressurized water reactor (PWR) proposed at that time for the next phase of electrical power generation. It proceeds to describe the design and operation of nuclear generation plant and gives details of the manufacture of PWR reactor pressure vessels (RPVs). Attention is paid to stress-relief cracking and under-clad cracking, experienced with early RPVs, explaining the mechanisms for these forms of cracking and the means taken to avoid them. Particular note is made of the contribution of non-destructive inspection to structural integrity. Factors affecting brittle fracture in RPV steels are described: in particular, effects of neutron irradiation. The use of fracture mechanics to assess defect tolerance is explained, together with the failure assessment diagram embodied in the R6 procedure. There is discussion of the Master Curve and how it incorporates effects of irradiation on fracture toughness. Dangers associated with extrapolation of data to low probabilities are illustrated. The treatment of fatigue-crack growth is described, in the context of transients that may be experienced in the operation of PWR plant. Detailed attention is paid to the thermal shock associated with a large loss-of-coolant accident. The final section reviews the arguments advanced to justify 'Incredibility of Failure' and how these are incorporated in assessments of the integrity of existing plant and proposed 'new build' PWR pressure vessels.

  16. [Personal computer interactive algorithm for estimating radiologic contamination and doses after a nuclear accident in Europe].

    PubMed

    Tabet, E

    2001-01-01

    The algorithm RANA (radiological assessment of nuclear accidents) is a tool which can be exploited to estimate the space and time structure of the radiological consequences of a radioactive release following a nuclear accident in Europe. The algorithm, formulated in the language of Mathematica, can be run on a personal computer. It uses simplified physical assumptions as for the the diffusion of the cloud and the transfer of the contamination to the food chain. The user gets the needed information by means of interactive windows that allow a fast evaluation of dose and contamination profiles. Calculations are performed either starting from the source terms or from the knowledge of experimental contamination data. Radiological consequences, such as individual or collective doses from several exposure paths, are parametrized in terms of the atmospheric diffusion categories. PMID:11758278

  17. Many-Body Interactions and Nuclear Structure

    SciTech Connect

    Hjorth-Jensen, M.; Dean, David Jarvis; Hagen, Gaute; Kvaal, S.

    2010-01-01

    This article presents several challenges to nuclear many-body theory and our understanding of the stability of nuclear matter. In order to achieve this, we present five different cases, starting with an idealized toy model. These cases expose problems that need to be understood in order to match recent advances in nuclear theory with current experimental programs in low-energy nuclear physics. In particular, we focus on our current understanding, or lack thereof, of many-body forces, and how they evolve as functions of the number of particles. We provide examples of discrepancies between theory and experiment and outline some selected perspectives for future research directions.

  18. Structural biology computing: Lessons for the biomedical research sciences.

    PubMed

    Morin, Andrew; Sliz, Piotr

    2013-11-01

    The field of structural biology, whose aim is to elucidate the molecular and atomic structures of biological macromolecules, has long been at the forefront of biomedical sciences in adopting and developing computational research methods. Operating at the intersection between biophysics, biochemistry, and molecular biology, structural biology's growth into a foundational framework on which many concepts and findings of molecular biology are interpreted1 has depended largely on parallel advancements in computational tools and techniques. Without these computing advances, modern structural biology would likely have remained an exclusive pursuit practiced by few, and not become the widely practiced, foundational field it is today. As other areas of biomedical research increasingly embrace research computing techniques, the successes, failures and lessons of structural biology computing can serve as a useful guide to progress in other biomedically related research fields. PMID:23828134

  19. Overview of the NASA program in computational structural mechanics

    NASA Technical Reports Server (NTRS)

    Hirschbein, Murray

    1989-01-01

    In order to meet the anticipated needs in modeling and analysis of advanced aerospace structures, NASA has developed a program focused on computational structural mechanics. The objective of this program is to advance the state-of-the-art in computational analysis to make accurate analysis of very large and complex structural problems routine. This will be accomplished by emphasizing two key areas: (1) the development of advanced analytical methods, extending beyond traditional approaches and, (2) the exploitation of the newest and most powerful parallel/multiprocessor computers available. Computational testbeds will be developed to serve as technology integrators and to promote/accelerate methodology research and development. An additional, and highly desirable, effect of the Computational Structural Mechanics (CSM) program would be to influence the design of future hardware and software systems to reflect the needs of structural analysis.

  20. EDISTR: a computer program to obtain a nuclear decay data base for radiation dosimetry

    SciTech Connect

    Dillman, L.T.

    1980-01-01

    This report provides documentation for the computer program EDISTR. EDISTR uses basic radioactive decay data from the Evaluated Nuclear Structure Data File developed and maintained by the Nuclear Data Project at the Oak Ridge National Laboratory as input, and calculates the mean energies and absolute intensities of all principal radiations associated with the radioactive decay of a nuclide. The program is intended to provide a physical data base for internal dosimetry calculations. The principal calculations performed by EDISTR are the determination of (1) the average energy of beta particles in a beta transition, (2) the beta spectrum as function of energy, (3) the energies and intensities of x-rays and Auger electrons generated by radioactive decay processes, (4) the bremsstrahlung spectra accompanying beta decay and monoenergetic Auger and internal conversion electrons, and (5) the radiations accompanying spontaneous fission. This report discusses the theoretical and empirical methods used in EDISTR and also practical aspects of the computer implementation of the theory. Detailed instructions for preparing input data for the computer program are included, along with examples and discussion of the output data generated by EDISTR.

  1. Computationally Efficient Truncated Nuclear Norm Minimization for High Dynamic Range Imaging.

    PubMed

    Lee, Chul; Lam, Edmund Y

    2016-09-01

    Matrix completion is a rank minimization problem to recover a low-rank data matrix from a small subset of its entries. Since the matrix rank is nonconvex and discrete, many existing approaches approximate the matrix rank as the nuclear norm. However, the truncated nuclear norm is known to be a better approximation to the matrix rank than the nuclear norm, exploiting a priori target rank information about the problem in rank minimization. In this paper, we propose a computationally efficient truncated nuclear norm minimization algorithm for matrix completion, which we call TNNM-ALM. We reformulate the original optimization problem by introducing slack variables and considering noise in the observation. The central contribution of this paper is to solve it efficiently via the augmented Lagrange multiplier (ALM) method, where the optimization variables are updated by closed-form solutions. We apply the proposed TNNM-ALM algorithm to ghost-free high dynamic range imaging by exploiting the low-rank structure of irradiance maps from low dynamic range images. Experimental results on both synthetic and real visual data show that the proposed algorithm achieves significantly lower reconstruction errors and superior robustness against noise than the conventional approaches, while providing substantial improvement in speed, thereby applicable to a wide range of imaging applications. PMID:27352392

  2. Computational architecture for integrated controls and structures design

    NASA Technical Reports Server (NTRS)

    Belvin, W. Keith; Park, K. C.

    1989-01-01

    To facilitate the development of control structure interaction (CSI) design methodology, a computational architecture for interdisciplinary design of active structures is presented. The emphasis of the computational procedure is to exploit existing sparse matrix structural analysis techniques, in-core data transfer with control synthesis programs, and versatility in the optimization methodology to avoid unnecessary structural or control calculations. The architecture is designed such that all required structure, control and optimization analyses are performed within one program. Hence, the optimization strategy is not unduly constrained by cold starts of existing structural analysis and control synthesis packages.

  3. Nudat: Nuclear Structure and Decay Data from the National Nuclear Data Center (NNDC)

    DOE Data Explorer

    NuDat allows users to search and plot nuclear structure and decay data interactively. NuDat was developed by the National Nuclear Data Center (NNDC)but utilizes contributions from physicists around the world. It provides an interface between web users and several databases containing nuclear structure, nuclear decay and some neutron-induced nuclear reaction information. Users can search for nuclear level properties (energy, half-life, spinparity), gamma-ray information (energy, intensity, multipolarity, coincidences), radiation information following nuclear decay (energy, intensity, dose), and neutron-induced reaction data from the BNL-325 book (thermal cross section and resonance integral). The information provided by NuDat 2 can be viewed in tables, level schemes and an interactive chart of nuclides.

  4. An integrated computer procedure for sizing composite airframe structures

    NASA Technical Reports Server (NTRS)

    Sobieszczanski-Sobieski, J.

    1979-01-01

    A computerized algorithm to generate cross-sectional dimensions and fiber orientations for composite airframe structures is described, and its application in a wing structural synthesis is established. The algorithm unifies computations of aeroelastic loads, stresses, and deflections, as well as optimal structural sizing and fiber orientations in an open-ended system of integrated computer programs. A finite-element analysis and a mathematical-optimization technique are discussed.

  5. Physical and Mechanical Metallurgy of Zirconium Alloys for Nuclear Applications: A Multi-Scale Computational Study

    NASA Astrophysics Data System (ADS)

    Glazoff, Michael Vasily

    In the post-Fukushima world, thermal and structural stability of materials under extreme conditions is an important issue for the safety of nuclear reactors. Because the nuclear industry will continue using zirconium (Zr) cladding for the foreseeable future, it becomes critical to gain a fundamental understanding of several interconnected problems. First, what are the thermodynamic and kinetic factors affecting oxidation and hydrogen pick-up by these materials at normal, off-normal conditions, and in long-term storage? Secondly, what protective coatings could be used in order to gain valuable time at off-normal conditions (temperature exceeds ~1200°C (2200°F)? Thirdly, the kinetics of the coating's oxidation must be understood. Lastly, one needs automated inspection algorithms allowing identifying cladding's defects. This work attempts to explore the problem from a computational perspective, utilizing first principles atomistic simulations, computational thermodynamics, plasticity theory, and morphological algorithms of image processing for defect identification. It consists of the four parts dealing with these four problem areas preceded by the introduction. In the 1st part, computational thermodynamics and ab initio calculations were used to shed light upon the different stages of zircaloy oxidation and hydrogen pickup, and microstructure optimization to increase thermal stability. The 2 nd part describes the kinetic theory of oxidation of the several materials considered to be perspective coatings for Zr alloys: SiC and ZrSiO4. The 3rd part deals with understanding the respective roles of the two different plasticity mechanisms in Zr nuclear alloys: twinning (at low T) and crystallographic slip (higher T's). For that goal, an advanced plasticity model was proposed. In the 4th part projectional algorithms for defect identification in zircaloy coatings are described. Conclusions and recommendations are presented in the 5th part. This integrative approach's value

  6. Computational and experimental of railgun structural performance

    SciTech Connect

    Wellman, G.W.

    1989-12-01

    The structural response of plasma armature railguns to the electromagnetic load imposed during operation has a significant effect on performance. The railgun support structure must minimize bore deformation; thus stiffness and strength are important design parameters. The step by step evolution of the design toward a structure which will tolerate operation with 500 to 700 kA rail currents is presented. The design effort started with the traditional rail/insulator core structure contained within a V-block which provides a preload. Non-linear dynamic analyses together with model tests were used to assess the effects of changes in geometry, materials, and preload on the railgun structural performance. 39 figs., 5 tabs.

  7. PREFACE: Open Problems in Nuclear Structure Theory: Introduction Open Problems in Nuclear Structure Theory: Introduction

    NASA Astrophysics Data System (ADS)

    Dobaczewski, Jacek

    2010-06-01

    Nuclear structure theory is a domain of physics faced at present with great challenges and opportunities. A larger and larger body of high-precision experimental data has been and continues to be accumulated. Experiments on very exotic short-lived isotopes are the backbone of activity at numerous large-scale facilities. Over the years, tremendous progress has been made in understanding the basic features of nuclei. However, the theoretical description of nuclear systems is still far from being complete and is often not very precise. Many questions, both basic and practical, remain unanswered. The goal of publishing this special focus issue of Journal of Physics G: Nuclear and Particle Physics on Open Problems in Nuclear Structure Theory (OPeNST) is to construct a fundamental inventory thereof, so that the tasks and available options become more clearly exposed and that this will help to stimulate a boost in theoretical activity, commensurate with the experimental progress. The requested format and scope of the articles on OPeNST was quite flexible. The journal simply offered the possibility to provide a forum for the material, which is very often discussed at conferences during the coffee breaks but does not normally have sufficient substance to form regular publications. Nonetheless, very often formulating a problem provides a major step towards its solution, and it may constitute a scientific achievement on its own. Prospective authors were therefore invited to find their own balance between the two extremes of very general problems on the one hand (for example, to solve exactly the many-body equations for a hundred particles) and very specific problems on the other hand (for example, those that one could put in one's own grant proposal). The authors were also asked not to cover results already obtained, nor to limit their presentations to giving a review of the subject, although some elements of those could be included to properly introduce the subject matter

  8. Structural Composites Corrosive Management by Computational Simulation

    NASA Technical Reports Server (NTRS)

    Chamis, Christos C.; Minnetyan, Levon

    2006-01-01

    A simulation of corrosive management on polymer composites durability is presented. The corrosive environment is assumed to manage the polymer composite degradation on a ply-by-ply basis. The degradation is correlated with a measured Ph factor and is represented by voids, temperature, and moisture which vary parabolically for voids and linearly for temperature and moisture through the laminate thickness. The simulation is performed by a computational composite mechanics computer code which includes micro, macro, combined stress failure, and laminate theories. This accounts for starting the simulation from constitutive material properties and up to the laminate scale which exposes the laminate to the corrosive environment. Results obtained for one laminate indicate that the ply-by-ply managed degradation degrades the laminate to the last one or the last several plies. Results also demonstrate that the simulation is applicable to other polymer composite systems as well.

  9. Mechanical regulation of nuclear structure and function.

    PubMed

    Martins, Rui P; Finan, John D; Guilak, Farshid; Lee, David A

    2012-01-01

    Mechanical loading induces both nuclear distortion and alterations in gene expression in a variety of cell types. Mechanotransduction is the process by which extracellular mechanical forces can activate a number of well-studied cytoplasmic signaling cascades. Inevitably, such signals are transduced to the nucleus and induce transcription factor-mediated changes in gene expression. However, gene expression also can be regulated through alterations in nuclear architecture, providing direct control of genome function. One putative transduction mechanism for this phenomenon involves alterations in nuclear architecture that result from the mechanical perturbation of the cell. This perturbation is associated with direct mechanical strain or osmotic stress, which is transferred to the nucleus. This review describes the current state of knowledge relating the nuclear architecture and the transfer of mechanical forces to the nucleus mediated by the cytoskeleton, the nucleoskeleton, and the LINC (linker of the nucleoskeleton and cytoskeleton) complex. Moreover, remodeling of the nucleus induces alterations in nuclear stiffness, which may be associated with cell differentiation. These phenomena are discussed in relation to the potential influence of nuclear architecture-mediated mechanoregulation of transcription and cell fate. PMID:22655599

  10. Forging the link between nuclear reactions and nuclear structure.

    PubMed

    Mahzoon, M H; Charity, R J; Dickhoff, W H; Dussan, H; Waldecker, S J

    2014-04-25

    A comprehensive description of all single-particle properties associated with the nucleus Ca40 is generated by employing a nonlocal dispersive optical potential capable of simultaneously reproducing all relevant data above and below the Fermi energy. The introduction of nonlocality in the absorptive potentials yields equivalent elastic differential cross sections as compared to local versions but changes the absorption profile as a function of angular momentum suggesting important consequences for the analysis of nuclear reactions. Below the Fermi energy, nonlocality is essential to allow for an accurate representation of particle number and the nuclear charge density. Spectral properties implied by (e, e'p) and (p, 2p) reactions are correctly incorporated, including the energy distribution of about 10% high-momentum nucleons, as experimentally determined by data from Jefferson Lab. These high-momentum nucleons provide a substantial contribution to the energy of the ground state, indicating a residual attractive contribution from higher-body interactions for Ca40 of about 0.64  MeV/A. PMID:24815643

  11. Nuclear shell structures in terms of classical periodic orbits

    NASA Astrophysics Data System (ADS)

    Arita, Ken-ichiro

    2016-06-01

    Semiclassical periodic-orbit theory (POT) theory is applied to the physics of nuclear structures, with the use of a realistic nuclear mean-field model given by the radial power-law potential. Evolution of deformed shell structures, which are responsible for various nuclear deformations, are clearly understood from the contribution of short classical periodic orbits (POs). Bifurcations of short POs, which imply underlying local dynamical symmetry, play significant role there. The effect of the spin degree of freedom is also investigated in relevance to the pseudospin symmetry in spherical nuclei and the prolate–oblate asymmetry in shell structures of nuclei with quadrupole-type deformations.

  12. Procedures manual for the Evaluated Nuclear Structure Data File

    SciTech Connect

    Bhat, M.R.

    1987-10-01

    This manual is a collection of various notes, memoranda and instructions on procedures for the evaluation of data in the Evaluated Nuclear Structure Data File (ENSDF). They were distributed at different times over the past few years to the evaluators of nuclear structure data and some of them were not readily avaialble. Hence, they have been collected in this manual for ease of reference by the evaluators of the international Nuclear Structure and Decay Data (NSDD) network contribute mass-chains to the ENSDF. Some new articles were written specifically for this manual and others are reivsions of earlier versions.

  13. HST imaging of nearby CSOs: obscuration and nuclear structures

    NASA Astrophysics Data System (ADS)

    Perlman, E. S.; Stocke, J. T.; Conway, J. E.; Reynolds, C.; Begelman, M.

    2002-05-01

    We present 3-band HST imaging of three nearby ( z<0.1) compact symmetric objects: 4C31.04, 1946+708 and 1146+596 (NGC 3894). These objects were chosen for HST observation on the basis of detected HI and molecular line absorption. The images show large amounts of obscuration in each source, well distributed throughout the host galaxies, but somewhat concentrated in the nuclear regions. All three also show evidence of nuclear structures which resemble disks or tori. We discuss the possible association of the nuclear structures and obscuration with their radio structures, and compare with other HST observations of GPS, CSS and large-scale radio galaxies.

  14. Scientific Grand Challenges: Forefront Questions in Nuclear Science and the Role of High Performance Computing

    SciTech Connect

    Khaleel, Mohammad A.

    2009-10-01

    This report is an account of the deliberations and conclusions of the workshop on "Forefront Questions in Nuclear Science and the Role of High Performance Computing" held January 26-28, 2009, co-sponsored by the U.S. Department of Energy (DOE) Office of Nuclear Physics (ONP) and the DOE Office of Advanced Scientific Computing (ASCR). Representatives from the national and international nuclear physics communities, as well as from the high performance computing community, participated. The purpose of this workshop was to 1) identify forefront scientific challenges in nuclear physics and then determine which-if any-of these could be aided by high performance computing at the extreme scale; 2) establish how and why new high performance computing capabilities could address issues at the frontiers of nuclear science; 3) provide nuclear physicists the opportunity to influence the development of high performance computing; and 4) provide the nuclear physics community with plans for development of future high performance computing capability by DOE ASCR.

  15. Computational image analysis of nuclear morphology associated with various nuclear-specific aging disorders

    PubMed Central

    Choi, Siwon; Wang, Wei; Ribeiro, Alexandrew J.S.; Kalinowski, Agnieszka; Gregg, Siobhan Q.; Opresko, Patricia L.; Niedernhofer, Laura J.

    2011-01-01

    Computational image analysis is used in many areas of biological and medical research, but advanced techniques including machine learning remain underutilized. Here, we used automated segmentation and shape analyses, with pre-defined features and with computer generated components, to compare nuclei from various premature aging disorders caused by alterations in nuclear proteins. We considered cells from patients with Hutchinson-Gilford progeria syndrome (HGPS) with an altered nucleoskeletal protein; a mouse model of XFE progeroid syndrome caused by a deficiency of ERCC1-XPF DNA repair nuclease; and patients with Werner syndrome (WS) lacking a functional WRN exonuclease and helicase protein. Using feature space analysis, including circularity, eccentricity, and solidity, we found that XFE nuclei were larger and significantly more elongated than control nuclei. HGPS nuclei were smaller and rounder than the control nuclei with features suggesting small bumps. WS nuclei did not show any significant shape changes from control. We also performed principle component analysis (PCA) and a geometric, contour based metric. PCA allowed direct visualization of morphological changes in diseased nuclei, whereas standard, feature-based approaches required pre-defined parameters and indirect interpretation of multiple parameters. Both methods yielded similar results, but PCA proves to be a powerful pre-analysis methodology for unknown systems. PMID:22127259

  16. Experimental and computational study of thaumasite structure

    SciTech Connect

    Scholtzová, Eva; Kucková, Lenka; Kožíšek, Jozef; Pálková, Helena; Tunega, Daniel

    2014-05-01

    The structure of thaumasite has been studied experimentally by means of a single crystal X-ray diffraction and FTIR methods, and theoretically using density functional theory (DFT) method. Very good agreement was achieved between calculated and experimental structural parameters. In addition, calculations offered the refinement of the positions of the hydrogen atoms. The detailed analysis of the hydrogen bonds existing in the thaumasite structure has been performed. Several types of hydrogen bonds have been classified. The water molecules coordinating Ca{sup 2+} cation act as proton donors in moderate O-H···O hydrogen bonds formed with CO₃⁻²and SO₄⁻² anions. The multiple O-H···O hydrogen bonds exist among water molecules themselves. Finally, relatively weak hydrogen bonds form water molecules with the OH groups from the coordination sphere of the Si(OH)₆⁻² anion. Further, calculated vibrational spectrum allowed complete assignment of all vibrational modes which are not available from the experimental spectrum that has a complex structure with overlapped bands, especially below 1500 cm⁻¹. Highlights: • The thaumasite structure was studied experimentally and using DFT method. • We used DFT method for the refinement of the positions of hydrogen atoms. • A detailed analysis of the hydrogen bonds was done. • A complete assignment of all bands to particular types of vibrations was done.

  17. Structural Analysis Using Computer Based Methods

    NASA Technical Reports Server (NTRS)

    Dietz, Matthew R.

    2013-01-01

    The stiffness of a flex hose that will be used in the umbilical arms of the Space Launch Systems mobile launcher needed to be determined in order to properly qualify ground umbilical plate behavior during vehicle separation post T-0. This data is also necessary to properly size and design the motors used to retract the umbilical arms. Therefore an experiment was created to determine the stiffness of the hose. Before the test apparatus for the experiment could be built, the structure had to be analyzed to ensure it would not fail under given loading conditions. The design model was imported into the analysis software and optimized to decrease runtime while still providing accurate restlts and allow for seamless meshing. Areas exceeding the allowable stresses in the structure were located and modified before submitting the design for fabrication. In addition, a mock up of a deep space habitat and the support frame was designed and needed to be analyzed for structural integrity under different loading conditions. The load cases were provided by the customer and were applied to the structure after optimizing the geometry. Once again, weak points in the structure were located and recommended design changes were made to the customer and the process was repeated until the load conditions were met without exceeding the allowable stresses. After the stresses met the required factors of safety the designs were released for fabrication.

  18. Evaluated nuclear structure data file. A manual for preparation of data sets

    SciTech Connect

    Tuli, J.K.

    1983-03-01

    This manual describes the organization and structure of the Evaluated Nuclear Structure Data File (ENSDF). This computer-based file is maintained by the National Nuclear Data Center (NNDC) at Brookhaven National Laboratory for the international Nuclear Structure and Decay Data Network. For every mass number (presently, A less than or equal to 263), the Evaluated Nuclear Structure Data File (ENSDF) contains evaluated structure information. For masses A greater than or equal to 45, this information is documented in the Nuclear Data Sheets; for A < 45, ENSDF is based on compilations published in the journal Nuclear Physics. The information in ENSDF is updated by mass chains with a present cycle time of approximately six years. The body of a data set is composed of numeric data records which describe the measured or deduced properties of levels, ..gamma.. rays, ..cap alpha.. particles, etc. These records are associated with the level which decays (for gamma records) or the level which is populated (for beta, ec, or alpha records). Thus, each level record is followed by a group of records describing charged-particle decay into the level and ..gamma..-ray decay out of the level. (WHK)

  19. Logic and structured design for computer programmers

    SciTech Connect

    Rood, H.J.

    1985-01-01

    This text provides a language- and system-independent introduction to logical structures, and teaches logic plus the programming and data processing applications in which logic is used. The author has eliminated the need to cover basic program design at the beginning of every language course, and has used logic of sets, Boolean algebra, conditional statements, and truth tables to establish logic of structure flowchart, pseudocode, Warnier/Orr diagrams, and so on. After chapter three, the chapters are independent so that instructors can select the coverage of programming tools and techniques most relevant to their students.

  20. Investigation of interaction of nuclear fast red with human serum albumin by experimental and computational approaches.

    PubMed

    Gholivand, Mohammad-Bagher; Jalalvand, Ali R; Goicoechea, Hector C; Omidi, Mehdi

    2013-11-01

    For the first time, interaction of nuclear fast red (NFR) with human serum albumin (HSA) was studied by experimental and computational approaches. Firstly, experimental measurements including fluorescence spectroscopy (F), UVvis spectrophotometry (UVvis), cyclic voltammetry (CV), differential pulse voltammetry (DPV) and linear sweep voltammetry (LSV) were separately used to investigate the interaction of NFR with HSA and interesting thermodynamics information was obtained from these studies. Secondly, new information including electrochemical behavior of NFR-HSA complex species, relative concentrations of the various reacting species and effects of NFR on the sub-structure of HSA was obtained by applying multivariate curve resolution-alternating least squares (MCR-ALS). In this case, a row- and column-wise augmented matrix was built with DPV, LSV, F and UVvis sub-matrices and resolved by MCR-ALS. Surprisingly, by this method two NFR-HSA complex species with different stoichiometries and different electrochemical behaviors were found. Furthermore, by the use of the recorded voltammetric and spectroscopic data the binding constants of complex species were computed by EQUISPEC (a hard-modeling algorithm). Finally, the binding of NFR to HSA was modeled by molecular modeling and molecular dynamics (MD) simulations methods. Excellent agreement was found between experimental and computational results. Both experimental and computational results suggested that the NFR binds mainly to the sub-domain IIA of HSA. PMID:23871980

  1. Computer subroutines for the estimation of nuclear reaction effects in proton-tissue-dose calculations

    NASA Technical Reports Server (NTRS)

    Wilson, J. W.; Khandelwal, G. S.

    1976-01-01

    Calculational methods for estimation of dose from external proton exposure of arbitrary convex bodies are briefly reviewed. All the necessary information for the estimation of dose in soft tissue is presented. Special emphasis is placed on retaining the effects of nuclear reaction, especially in relation to the dose equivalent. Computer subroutines to evaluate all of the relevant functions are discussed. Nuclear reaction contributions for standard space radiations are in most cases found to be significant. Many of the existing computer programs for estimating dose in which nuclear reaction effects are neglected can be readily converted to include nuclear reaction effects by use of the subroutines described herein.

  2. Viscoelastic structures. [finite element computer programs

    NASA Technical Reports Server (NTRS)

    Gupta, K. K.; Heer, E.

    1974-01-01

    Numerical analysis of viscoelastic problems may be achieved by either a step-by-step solution procedure or by the integral transform approach. However, for complicated loading and material property relationships, the latter method proves ineffective. Programs specifically developed for the analysis of viscoelastic structures are considered along with multipurpose programs with specific viscoelastic analysis capabilities.

  3. Nuclear structure notes on element 115 decay chains

    SciTech Connect

    Rudolph, D. Sarmiento, L. G.; Forsberg, U.

    2015-10-15

    Hitherto collected data on more than hundred α-decay chains stemming from element 115 are combined to probe some aspects of the underlying nuclear structure of the heaviest atomic nuclei yet created in the laboratory.

  4. Stress Management and Nuclear Anxiety: A Structured Group Experience.

    ERIC Educational Resources Information Center

    Bisio, Thomas A.; Crisan, Pamela

    1984-01-01

    Describes a structured workshop in which group members explore their fears of nuclear holocaust and the effects this fear has had on their lives. By using logotherapy ideals, the participants create a renewed sense of purpose and hope. (Author)

  5. The computational structural mechanics testbed data library description

    NASA Technical Reports Server (NTRS)

    Stewart, Caroline B. (Compiler)

    1988-01-01

    The datasets created and used by the Computational Structural Mechanics Testbed software system is documented by this manual. A description of each dataset including its form, contents, and organization is presented.

  6. The computational structural mechanics testbed data library description

    NASA Technical Reports Server (NTRS)

    Stewart, Caroline B. (Compiler)

    1988-01-01

    The datasets created and used by the Computational Structural Mechanics Testbed software system are documented by this manual. A description of each dataset including its form, contents, and organization is presented.

  7. HMG Nuclear Proteins: Linking Chromatin Structure to Cellular Phenotype

    PubMed Central

    Reeves, Raymond

    2009-01-01

    I. Summary Although the three families of mammalian HMG proteins (HMGA, HMGB and HMGN) participate in many of the same nuclear processes, each family plays its own unique role in modulating chromatin structure and regulating genomic function. This review focuses on the similarities and differences in the mechanisms by which the different HMG families impact chromatin structure and influence cellular phenotype. The biological implications of having three architectural transcription factor families with complementary, but partially overlapping, nuclear functions are discussed. PMID:19748605

  8. Hierarchical structure for risk criteria applicable to nuclear power plants

    SciTech Connect

    Hall, R.E.; Mitra, S.P.

    1985-01-01

    This paper discusses the development of a hierarchical structure for risk criteria applicable to nuclear power plants. The structure provides a unified framework to systematically analyze the implications of different types of criteria, each focusing on a particular aspect of nuclear power plant risks. The framework allows investigation of the specific coverage of a particular criterion and comparison of different criteria with regard to areas to which they apply. 5 refs., 2 figs.

  9. EVALUATED NUCLEAR STRUCTURE DATA FILE AND RELATED PRODUCTS.

    SciTech Connect

    TULI,J.K.

    2004-09-26

    The Evaluated Nuclear Structure Data File (ENSDF) is a leading resource for the experimental nuclear data. It is maintained and distributed by the National Nuclear Data Center, Brookhaven National Laboratory. The file is mainly contributed to by an international network of evaluators under the auspice of the International Atomic Energy Agency. The ENSDF is updated, generally by mass number, i.e., evaluating together all isobars for a given mass number. If, however, experimental activity in an isobaric chain is limited to a particular nuclide then only that nuclide is updated. The evaluations are published in the journal Nuclear Data Sheets, Academic Press, a division of Elsevier.

  10. Computing stoichiometric molecular composition from crystal structures

    PubMed Central

    Gražulis, Saulius; Merkys, Andrius; Vaitkus, Antanas; Okulič-Kazarinas, Mykolas

    2015-01-01

    Crystallographic investigations deliver high-accuracy information about positions of atoms in crystal unit cells. For chemists, however, the structure of a molecule is most often of interest. The structure must thus be reconstructed from crystallographic files using symmetry information and chemical properties of atoms. Most existing algorithms faithfully reconstruct separate molecules but not the overall stoichiometry of the complex present in a crystal. Here, an algorithm that can reconstruct stoichiometrically correct multimolecular ensembles is described. This algorithm uses only the crystal symmetry information for determining molecule numbers and their stoichiometric ratios. The algorithm can be used by chemists and crystallographers as a standalone implementation for investigating above-molecular ensembles or as a function implemented in graphical crystal analysis software. The greatest envisaged benefit of the algorithm, however, is for the users of large crystallographic and chemical databases, since it will permit database maintainers to generate stoichiometrically correct chemical representations of crystal structures automatically and to match them against chemical databases, enabling multidisciplinary searches across multiple databases. PMID:26089747

  11. Report on aging of nuclear power plant reinforced concrete structures

    SciTech Connect

    Naus, D.J.; Oland, C.B.; Ellingwood, B.R.

    1996-03-01

    The Structural Aging Program provides the US Nuclear Regulatory Commission with potential structural safety issues and acceptance criteria for use in continued service assessments of nuclear power plant safety-related concrete structures. The program was organized under four task areas: Program Management, Materials Property Data Base, Structural Component Assessment/Repair Technology, and Quantitative Methodology for Continued Service Determinations. Under these tasks, over 90 papers and reports were prepared addressing pertinent aspects associated with aging management of nuclear power plant reinforced concrete structures. Contained in this report is a summary of program results in the form of information related to longevity of nuclear power plant reinforced concrete structures, a Structural Materials Information Center presenting data and information on the time variation of concrete materials under the influence of environmental stressors and aging factors, in-service inspection and condition assessments techniques, repair materials and methods, evaluation of nuclear power plant reinforced concrete structures, and a reliability-based methodology for current and future condition assessments. Recommendations for future activities are also provided. 308 refs., 61 figs., 50 tabs.

  12. Nuclear structure far off stability --Implications for nuclear astrophysics

    NASA Astrophysics Data System (ADS)

    Grawe, H.; Blazhev, A.; Górska, M.; Grzywacz, R.; Mach, H.; Mukha, I.

    2006-03-01

    The single-particle structure and shell gap of 100Sn as inferred from previous in-beam γ-ray spectroscopy has been confirmed in recent studies of seniority and spin-gap isomers by γγ, βγ, βpγ, pγ and 2pγ spectroscopy. The results for 94, 95Ag, 98Cd and its N = 50 isotones 96Pd and 94Ru stress the importance of large-scale shell model calculations employing realistic interactions for the isomerism, np-nh excitations, seniority mixing and E2 polarisation of the 100Sn core. The strong monopole interaction of the Δl = 0, 1 spin/isospin-flip partners πg 9/2- νg 7/2 along the N = 50 isotones and the πf 5/2- νg 9/2 pair of nucleons along the Z = 28 Ni isotopes are decisive for the evolution of the shell structure towards 100Sn and 78Ni. It can be traced back to the tensor force in the effective nucleon-nucleon interaction and provides a straightforward explanation for new shells in neutron-rich light nuclei, implying qualitative predictions for new N = 32, 34 subshells in Ca isotopes, persistence of the 78Ni proton and neutron shell gaps and non-equivalence of the g 9/2 valence mirror Ni isotopes and N = 50 isotones. This is corroborated by recent experimental data on 56, 58Cr and 70-76Ni. The implication of monopole driven shell evolution for apparent spin-orbit splitting towards N ≫ Z and structure along the astrophysical r-path between N = 50 and N = 82 is discussed.

  13. Computer-aided design of antenna structures and components

    NASA Technical Reports Server (NTRS)

    Levy, R.

    1976-01-01

    This paper discusses computer-aided design procedures for antenna reflector structures and related components. The primary design aid is a computer program that establishes cross sectional sizes of the structural members by an optimality criterion. Alternative types of deflection-dependent objectives can be selected for designs subject to constraints on structure weight. The computer program has a special-purpose formulation to design structures of the type frequently used for antenna construction. These structures, in common with many in other areas of application, are represented by analytical models that employ only the three translational degrees of freedom at each node. The special-purpose construction of the program, however, permits coding and data management simplifications that provide advantages in problem size and execution speed. Size and speed are essentially governed by the requirements of structural analysis and are relatively unaffected by the added requirements of design. Computation times to execute several design/analysis cycles are comparable to the times required by general-purpose programs for a single analysis cycle. Examples in the paper illustrate effective design improvement for structures with several thousand degrees of freedom and within reasonable computing times.

  14. Nuclear microscopy of sperm cell elemental structure

    NASA Astrophysics Data System (ADS)

    Bench, Graham S.; Balhorn, Rod; Friz, Alexander M.

    1995-05-01

    Theories suggest there is a link between protamine concentrations in individual sperm and male fertility. Previously, biochemical analyses have used pooled samples containing millions of sperm to determine protamine concentrations. These methods have not been able to determine what percentage of morphologically normal sperm are biochemically defective and potentially infertile. Nuclear microscopy has been utilized to measure elemental profiles at the single sperm level. By measuring the amount of phosphorus and sulfur, the total DNA and protamine content in individual sperm from fertile bull and mouse semen have been determined. These values agree with results obtained from other biochemical analyses. Nuclear microscopy shows promise for measuring elemental profiles in the chromatin of individual sperm. The technique may be able to resolve theories regarding the importance of protamines to male fertility and identify biochemical defects responsible for certain types of male infertility.

  15. Nuclear microscopy of sperm cell elemental structure

    SciTech Connect

    Bench, G.S.; Balhorn, R.; Friz, A.M.; Freeman, S.P.H.T.

    1994-09-28

    Theories suggest there is a link between protamine concentrations in individual sperm and male fertility. Previously, biochemical analyses have used pooled samples containing millions of sperm to determine protamine concentrations. These methods have not been able to determine what percentage of morphologically normal sperm are biochemically defective and potentially infertile. Nuclear microscopy has been utilized to measure elemental profiles at the single sperm level. By measuring the amount of phosphorus and sulfur, the total DNA and protamine content in individual sperm from fertile bull and mouse semen have been determined. These values agree with results obtained from other biochemical analyses. Nuclear microscopy shows promise for measuring elemental profiles in the chromatin of individual sperm. The technique may be able to resolve theories regarding the importance of protamines to male fertility and identify biochemical defects responsible for certain types of male infertility.

  16. Computer program for afterheat temperature distribution for mobile nuclear power plant

    NASA Technical Reports Server (NTRS)

    Parker, W. G.; Vanbibber, L. E.

    1972-01-01

    ESATA computer program was developed to analyze thermal safety aspects of post-impacted mobile nuclear power plants. Program is written in FORTRAN 4 and designed for IBM 7094/7044 direct coupled system.

  17. Probabilistic structural mechanics research for parallel processing computers

    NASA Technical Reports Server (NTRS)

    Sues, Robert H.; Chen, Heh-Chyun; Twisdale, Lawrence A.; Martin, William R.

    1991-01-01

    Aerospace structures and spacecraft are a complex assemblage of structural components that are subjected to a variety of complex, cyclic, and transient loading conditions. Significant modeling uncertainties are present in these structures, in addition to the inherent randomness of material properties and loads. To properly account for these uncertainties in evaluating and assessing the reliability of these components and structures, probabilistic structural mechanics (PSM) procedures must be used. Much research has focused on basic theory development and the development of approximate analytic solution methods in random vibrations and structural reliability. Practical application of PSM methods was hampered by their computationally intense nature. Solution of PSM problems requires repeated analyses of structures that are often large, and exhibit nonlinear and/or dynamic response behavior. These methods are all inherently parallel and ideally suited to implementation on parallel processing computers. New hardware architectures and innovative control software and solution methodologies are needed to make solution of large scale PSM problems practical.

  18. Recent developments of the NESSUS probabilistic structural analysis computer program

    NASA Technical Reports Server (NTRS)

    Millwater, H.; Wu, Y.-T.; Torng, T.; Thacker, B.; Riha, D.; Leung, C. P.

    1992-01-01

    The NESSUS probabilistic structural analysis computer program combines state-of-the-art probabilistic algorithms with general purpose structural analysis methods to compute the probabilistic response and the reliability of engineering structures. Uncertainty in loading, material properties, geometry, boundary conditions and initial conditions can be simulated. The structural analysis methods include nonlinear finite element and boundary element methods. Several probabilistic algorithms are available such as the advanced mean value method and the adaptive importance sampling method. The scope of the code has recently been expanded to include probabilistic life and fatigue prediction of structures in terms of component and system reliability and risk analysis of structures considering cost of failure. The code is currently being extended to structural reliability considering progressive crack propagation. Several examples are presented to demonstrate the new capabilities.

  19. Investigations of nuclear structure and nuclear reactions induced by complex projectiles

    SciTech Connect

    Sarantites, D.G.

    1991-01-01

    The research program of our group touches five areas of nuclear physics: (1) Nuclear structure studies at high spin; (2) Studies at the interface between structure and reactions; (3) Production and study of hot nuclei; (4) Incomplete fusion and fragmentation reactions; and (5) Development and use of novel techniques and instrumentation in the above areas of research. The papers from these areas are discussed in this report.

  20. PREFACE: Structure of Exotic Nuclei and Nuclear Forces

    NASA Astrophysics Data System (ADS)

    Honma, Michio; Otsuka, Takaharu; Aoi, Nori

    2006-11-01

    The International Symposium on `Structure of Exotic Nuclei and Nuclear Forces' was held at The Koshiba Hall, University of Tokyo, on 9 - 12 March 2006. This symposium was organized as an activity of the Grant-in-Aid for the specially promoted area `Monte Carlo Shell Model' from the Ministry of Education, Science, Sports and Culture (MEXT) of Japan. The symposium was sponsored by the Center for Nuclear Study (CNS) and by RIKEN. The purpose of the symposium was to discuss theoretical and experimental developments in the study of the structure of exotic nuclei and its relationship with nuclear forces. There has been much progress recently in our understanding of what the structure of exotic nuclei is and how it can be linked to nuclear forces, with emerging intriguing perspectives. The following subjects were covered in this symposium

  21. Present status and future of the shell model
  22. Effective interaction theories
  23. Experimental results and perspectives
  24. Few-body methods including ab initio calculations
  25. Advancements of mean-fieeld models
  26. Transition between shell and cluster structure>
  27. Nuclear astrophysics and nuclear structure>
  28. Particle physics and the shell model
  29. Emphasis was placed on the interplay between many-body structures and nuclear forces, and on the experimental clarification of these topics. Around 80 participants attended the symposium and we enjoyed 34 excellent and lively invited talks and 26 oral presentations. The organizing committee consisted of B A Brown (MSU), S Fujii (CNS), M Honma (Aizu), T Kajino (NAO), T Mizusaki (Senshu), T Motobayashi (RIKEN), K Muto (TIT), T Otsuka (Chair, Tokyo/CNS/RIKEN), P Ring (TMU), N Shimizu (Scientific Secretary, Tokyo), S Shimoura (CNS), Y Utsuno (Scientific Secretary, JAEA). Finally, we would like to thank all the speakers and the participants as well as the other organizers for their contributions which made the symposium so successful.

  1. Advances in Computational Stability Analysis of Composite Aerospace Structures

    SciTech Connect

    Degenhardt, R.; Araujo, F. C. de

    2010-09-30

    European aircraft industry demands for reduced development and operating costs. Structural weight reduction by exploitation of structural reserves in composite aerospace structures contributes to this aim, however, it requires accurate and experimentally validated stability analysis of real structures under realistic loading conditions. This paper presents different advances from the area of computational stability analysis of composite aerospace structures which contribute to that field. For stringer stiffened panels main results of the finished EU project COCOMAT are given. It investigated the exploitation of reserves in primary fibre composite fuselage structures through an accurate and reliable simulation of postbuckling and collapse. For unstiffened cylindrical composite shells a proposal for a new design method is presented.

  2. Computational methods for structural load and resistance modeling

    NASA Technical Reports Server (NTRS)

    Thacker, B. H.; Millwater, H. R.; Harren, S. V.

    1991-01-01

    An automated capability for computing structural reliability considering uncertainties in both load and resistance variables is presented. The computations are carried out using an automated Advanced Mean Value iteration algorithm (AMV +) with performance functions involving load and resistance variables obtained by both explicit and implicit methods. A complete description of the procedures used is given as well as several illustrative examples, verified by Monte Carlo Analysis. In particular, the computational methods described in the paper are shown to be quite accurate and efficient for a material nonlinear structure considering material damage as a function of several primitive random variables. The results show clearly the effectiveness of the algorithms for computing the reliability of large-scale structural systems with a maximum number of resolutions.

  3. NASA CST aids U.S. industry. [computational structures technology

    NASA Technical Reports Server (NTRS)

    Housner, Jerry M.; Pinson, Larry D.

    1993-01-01

    The effect of NASA's computational structures Technology (CST) research on aerospace vehicle design and operation is discussed. The application of this research to proposed version of a high-speed civil transport, to composite structures in aerospace, to the study of crack growth, and to resolving field problems is addressed.

  4. Computer-aided visualization of database structural relationships

    SciTech Connect

    Cahn, D.F.

    1980-04-01

    Interactive computer graphic displays can be extremely useful in augmenting understandability of data structures. In complexly interrelated domains such as bibliographic thesauri and energy information systems, node and link displays represent one such tool. This paper presents examples of data structure representations found useful in these domains and discusses some of their generalizable components. 2 figures.

  5. 77 FR 50727 - Configuration Management Plans for Digital Computer Software Used in Safety Systems of Nuclear...

    Federal Register 2010, 2011, 2012, 2013, 2014

    2012-08-22

    ...The U.S. Nuclear Regulatory Commission (NRC or the Commission) is issuing for public comment draft regulatory guide (DG), DG-1206, ``Configuration Management Plan for Digital Computer Software Used in Safety Systems of Nuclear Power Plants.'' The DG-1206 is proposed Revision 1 of RG 1.169, dated September 1997. This revision endorses, with clarifications, the enhanced consensus practices for......

  6. Electron-Nuclear Spin Dynamics in a Mesoscopic Solid-State Quantum Computer

    SciTech Connect

    Berman, G.P.; Campbell, D.K.; Doolen, G.D.; Nagaev, K.E.

    1998-12-07

    We numerically simulate the process of nuclear spin measurement in Kane's quantum computer. For this purpose, we model the quantum dynamics of two coupled nuclear spins located on {sup 31}P donors implanted in Si. We estimate the minimum time of measurement necessary for the reliable transfer of quantum information from the nuclear spin subsystem to the electronic one and the probability of error for typical values of external noise.

  7. The Radiation Safety Information Computational Center (RSICC): A Resource for Nuclear Science Applications

    SciTech Connect

    Kirk, Bernadette Lugue

    2009-01-01

    The Radiation Safety Information Computational Center (RSICC) has been in existence since 1963. RSICC collects, organizes, evaluates and disseminates technical information (software and nuclear data) involving the transport of neutral and charged particle radiation, and shielding and protection from the radiation associated with: nuclear weapons and materials, fission and fusion reactors, outer space, accelerators, medical facilities, and nuclear waste management. RSICC serves over 12,000 scientists and engineers from about 100 countries.

  8. Nuclear war group survival: Structures and camp site

    SciTech Connect

    David, C.V.

    1987-06-09

    A nuclear war group survival camp is described including a combination of structures, facilities, equipment and other camp site improvements and further comprising: means for protecting people inside structures located above ground against the effects of blast caused by the explosion of a nuclear weapon, on and above ground, within a distance that would create a lethal environment inside any conventionally constructed building structure at such distance; means for removing fallout debris (dust) generated by the explosion in a manner such that the total radiation dosage received by any and all so sheltered people remains below the radiation dose level considered critical.

  9. Generalized Nuclear Data: A New Structure (with Supporting Infrastructure) for Handling Nuclear Data

    NASA Astrophysics Data System (ADS)

    Mattoon, C. M.; Beck, B. R.; Patel, N. R.; Summers, N. C.; Hedstrom, G. W.; Brown, D. A.

    2012-12-01

    The Evaluated Nuclear Data File (ENDF) format was designed in the 1960s to accommodate neutron reaction data to support nuclear engineering applications in power, national security and criticality safety. Over the years, the scope of the format has been extended to handle many other kinds of data including charged particle, decay, atomic, photo-nuclear and thermal neutron scattering. Although ENDF has wide acceptance and support for many data types, its limited support for correlated particle emission, limited numeric precision, and general lack of extensibility mean that the nuclear data community cannot take advantage of many emerging opportunities. More generally, the ENDF format provides an unfriendly environment that makes it difficult for new data evaluators and users to create and access nuclear data. The Cross Section Evaluation Working Group (CSEWG) has begun the design of a new Generalized Nuclear Data (or 'GND') structure, meant to replace older formats with a hierarchy that mirrors the underlying physics, and is aligned with modern coding and database practices. In support of this new structure, Lawrence Livermore National Laboratory (LLNL) has updated its nuclear data/reactions management package Fudge to handle GND structured nuclear data. Fudge provides tools for converting both the latest ENDF format (ENDF-6) and the LLNL Evaluated Nuclear Data Library (ENDL) format to and from GND, as well as for visualizing, modifying and processing (i.e., converting evaluated nuclear data into a form more suitable to transport codes) GND structured nuclear data. GND defines the structure needed for storing nuclear data evaluations and the type of data that needs to be stored. But unlike ENDF and ENDL, GND does not define how the data are to be stored in a file. Currently, Fudge writes the structured GND data to a file using the eXtensible Markup Language (XML), as it is ASCII based and can be viewed with any text editor. XML is a meta-language, meaning that it

  10. Generalized Nuclear Data: A New Structure (with Supporting Infrastructure) for Handling Nuclear Data

    SciTech Connect

    Mattoon, C.M.; Beck, B.R.; Patel, N.R.; Summers, N.C.; Hedstrom, G.W.; Brown, D.A.

    2012-12-15

    The Evaluated Nuclear Data File (ENDF) format was designed in the 1960s to accommodate neutron reaction data to support nuclear engineering applications in power, national security and criticality safety. Over the years, the scope of the format has been extended to handle many other kinds of data including charged particle, decay, atomic, photo-nuclear and thermal neutron scattering. Although ENDF has wide acceptance and support for many data types, its limited support for correlated particle emission, limited numeric precision, and general lack of extensibility mean that the nuclear data community cannot take advantage of many emerging opportunities. More generally, the ENDF format provides an unfriendly environment that makes it difficult for new data evaluators and users to create and access nuclear data. The Cross Section Evaluation Working Group (CSEWG) has begun the design of a new Generalized Nuclear Data (or 'GND') structure, meant to replace older formats with a hierarchy that mirrors the underlying physics, and is aligned with modern coding and database practices. In support of this new structure, Lawrence Livermore National Laboratory (LLNL) has updated its nuclear data/reactions management package Fudge to handle GND structured nuclear data. Fudge provides tools for converting both the latest ENDF format (ENDF-6) and the LLNL Evaluated Nuclear Data Library (ENDL) format to and from GND, as well as for visualizing, modifying and processing (i.e., converting evaluated nuclear data into a form more suitable to transport codes) GND structured nuclear data. GND defines the structure needed for storing nuclear data evaluations and the type of data that needs to be stored. But unlike ENDF and ENDL, GND does not define how the data are to be stored in a file. Currently, Fudge writes the structured GND data to a file using the eXtensible Markup Language (XML), as it is ASCII based and can be viewed with any text editor. XML is a meta-language, meaning that it

  11. COMPUTER SIMULATIONS OF HUMAN LUNG STRUCTURES FOR MEDICAL APPLICATIONS

    EPA Science Inventory

    Knowledge of the structure of the human lung has salient health effects applications. he clinical issues encompass (1) aerosol therapy, delivery of inhaled particles to enhance the efficacies of pharmacologic drugs, and (2) nuclear medicine, where planar gamma camera imaging, SPE...

  12. Computing Response Of A Structure To Random Transient Pressures

    NASA Technical Reports Server (NTRS)

    Sepcenko, Valentin; Margasahayam, Ravi

    1994-01-01

    Improved method of computing vibrational response of structure to transient random acoustic excitation at predominantly low frequencies devised, called "deterministic". Motivated by need to analyze more accurately vibro/acoustic responses of structures at spacecraft-launching facilities and determine whether need for reinforcement or redesign to withstand launch environment. Also used to study such phenomena as earthquake motions, ocean waves, aircraft pressure gusts, responses of bridges to winds, and effects to jet-engine noise on aircraft structures.

  13. Structural Basis of Vesicle Formation at the Inner Nuclear Membrane

    PubMed Central

    Hagen, Christoph; Dent, Kyle C.; Zeev-Ben-Mordehai, Tzviya; Grange, Michael; Bosse, Jens B.; Whittle, Cathy; Klupp, Barbara G.; Siebert, C. Alistair; Vasishtan, Daven; Bäuerlein, Felix J.B.; Cheleski, Juliana; Werner, Stephan; Guttmann, Peter; Rehbein, Stefan; Henzler, Katja; Demmerle, Justin; Adler, Barbara; Koszinowski, Ulrich; Schermelleh, Lothar; Schneider, Gerd; Enquist, Lynn W.; Plitzko, Jürgen M.; Mettenleiter, Thomas C.; Grünewald, Kay

    2015-01-01

    Summary Vesicular nucleo-cytoplasmic transport is becoming recognized as a general cellular mechanism for translocation of large cargoes across the nuclear envelope. Cargo is recruited, enveloped at the inner nuclear membrane (INM), and delivered by membrane fusion at the outer nuclear membrane. To understand the structural underpinning for this trafficking, we investigated nuclear egress of progeny herpesvirus capsids where capsid envelopment is mediated by two viral proteins, forming the nuclear egress complex (NEC). Using a multi-modal imaging approach, we visualized the NEC in situ forming coated vesicles of defined size. Cellular electron cryo-tomography revealed a protein layer showing two distinct hexagonal lattices at its membrane-proximal and membrane-distant faces, respectively. NEC coat architecture was determined by combining this information with integrative modeling using small-angle X-ray scattering data. The molecular arrangement of the NEC establishes the basic mechanism for budding and scission of tailored vesicles at the INM. PMID:26687357

  14. Computational modeling of RNA 3D structures and interactions.

    PubMed

    Dawson, Wayne K; Bujnicki, Janusz M

    2016-04-01

    RNA molecules have key functions in cellular processes beyond being carriers of protein-coding information. These functions are often dependent on the ability to form complex three-dimensional (3D) structures. However, experimental determination of RNA 3D structures is difficult, which has prompted the development of computational methods for structure prediction from sequence. Recent progress in 3D structure modeling of RNA and emerging approaches for predicting RNA interactions with ions, ligands and proteins have been stimulated by successes in protein 3D structure modeling. PMID:26689764

  15. Locomotion without a brain: physical reservoir computing in tensegrity structures.

    PubMed

    Caluwaerts, K; D'Haene, M; Verstraeten, D; Schrauwen, B

    2013-01-01

    Embodiment has led to a revolution in robotics by not thinking of the robot body and its controller as two separate units, but taking into account the interaction of the body with its environment. By investigating the effect of the body on the overall control computation, it has been suggested that the body is effectively performing computations, leading to the term morphological computation. Recent work has linked this to the field of reservoir computing, allowing one to endow morphologies with a theory of universal computation. In this work, we study a family of highly dynamic body structures, called tensegrity structures, controlled by one of the simplest kinds of "brains." These structures can be used to model biomechanical systems at different scales. By analyzing this extreme instantiation of compliant structures, we demonstrate the existence of a spectrum of choices of how to implement control in the body-brain composite. We show that tensegrity structures can maintain complex gaits with linear feedback control and that external feedback can intrinsically be integrated in the control loop. The various linear learning rules we consider differ in biological plausibility, and no specific assumptions are made on how to implement the feedback in a physical system. PMID:23186351

  16. Studying the Atomic Nucleus - A New Era in Nuclear Structure Studies

    SciTech Connect

    Casten, R. F.

    2011-05-06

    The study of atomic nuclei is part of the fascinating quest to understand the fundamental nature and origins of matter. This field, nuclear structure, is undergoing a revolutionary transformation that is breaking cherished paradigms, opening new vistas of nuclear matter for study, and which has the promise of leading to a new comprehensive understanding. The advent of new facilities for the production and study of exotic nuclei provides access to an entirely new territory of nuclei, and advances in extreme computing are enabling similar advances in the theory of atomic nuclei.

  17. On-line computer system for use with low- energy nuclear physics experiments is reported

    NASA Technical Reports Server (NTRS)

    Gemmell, D. S.

    1969-01-01

    Computer program handles data from low-energy nuclear physics experiments which utilize the ND-160 pulse-height analyzer and the PHYLIS computing system. The program allows experimenters to choose from about 50 different basic data-handling functions and to prescribe the order in which these functions will be performed.

  18. 78 FR 47014 - Configuration Management Plans for Digital Computer Software Used in Safety Systems of Nuclear...

    Federal Register 2010, 2011, 2012, 2013, 2014

    2013-08-02

    ... 22, 2012 (77 FR 50727) for a 60-day public comment period. The public comment period closed on... COMMISSION Configuration Management Plans for Digital Computer Software Used in Safety Systems of Nuclear... 1 of RG 1.169, ``Configuration Management Plans for Digital Computer Software Used in Safety...

  19. UNEDF: Advanced Scientific Computing Transforms the Low-Energy Nuclear Many-Body Problem

    SciTech Connect

    Stoitsov, Mario; Nam, Hai Ah; Nazarewicz, Witold; Bulgac, Aurel; Hagen, Gaute; Kortelainen, E. M.; Pei, Junchen; Roche, K. J.; Schunck, N.; Thompson, I.; Vary, J. P.; Wild, S.

    2011-01-01

    The UNEDF SciDAC collaboration of nuclear theorists, applied mathematicians, and computer scientists is developing a comprehensive description of nuclei and their reactions that delivers maximum predictive power with quantified uncertainties. This paper illustrates significant milestones accomplished by UNEDF through integration of the theoretical approaches, advanced numerical algorithms, and leadership class computational resources.

  20. Structure of matter, radioactivity, and nuclear fission. Volume 3

    SciTech Connect

    Not Available

    1986-01-01

    Subject matter includes structure of matter (what is matter, forces holding atoms together, visualizing the atom, the chemical elements, atomic symbols, isotopes, radiation from the atom), radioactivity (what holds the nucleus together, can one element change into another element, radiation from the nucleus, half-life, chart of the nuclides), and nuclear fission (nuclear energy release, the fission process, where does fission energy go, radiation and radioactivity resulting from fission).

  1. Nuclear structure from radioactive decay. Annual progress report

    SciTech Connect

    Wood, J.L.

    1991-09-30

    This report discusses nuclear structure from radioactive decay of the following: Neutron-Deficient Iridium Isotopes; Neutron-Deficient Platinum Isotopes; Neutron-Deficient Gold Isotopes; Neutron-Deficient Mercury Isotopes; Neutron-Deficient Thallium Isotopes; Neutron-Deficient Lead Isotopes; Neutron-Deficient Samarium Isotopes; Neutron-Deficient Promethium Isotopes; Neutron-Deficient Neodymium Isotopes; and Neutron-Deficient Praseodymium Isotopes. Also discussed are Nuclear Systematics and Models.

  2. Nuclear microscopy of sperm cell elemental structure

    SciTech Connect

    Bench, G.S.

    1994-12-31

    Theories have suggested that there is a link between protamine concentrations in individual sperm and sperm fertility. At present, biochemical analyses have only been performed on bulk populations and existing methods have not been able to determine what percentage of morphologically normal sperm are biochemically defective and potentially infertile. As part of an investigation into male sperm fertility, nuclear microscopy has been utilized to measure elemental profiles at the single sperm level. By measuring the ratio of Phosphorus to Sulfur the authors have been able to determine the amount of protamine 1 and protamine 2 in individual cells from bulk fertile samples of bull and mouse sperm. Preliminary results show that, for each species, the relative amounts of protamine 1 and protamine 2 in morphologically normal sperm agree well with expected values.

  3. Structural Ceramic Composites for Nuclear Applications

    SciTech Connect

    William Windes; P.A. Lessing; Y. Katoh; L. L. Snead; E. Lara-Curzio; J. Klett; C. Henager, Jr.; R. J. Shinavski

    2005-08-01

    A research program has been established to investigate fiber reinforced ceramic composites to be used as control rod components within a Very High Temperature Reactor. Two candidate systems have been identified, carbon fiber reinforced carbon (Cf/C) and silicon carbide fiber reinforced silicon carbide (SiCf/SiC) composites. Initial irradiation stability studies to determine the maximum dose for each composite type have been initiated within the High Flux Isotope Reactor at Oak Ridge National Laboratory. Test samples exposed to 10 dpa irradiation dose have been completed with future samples to dose levels of 20 and 30 dpa scheduled for completion in following years. Mechanical and environmental testing is being conducted concurrently at the Idaho National Laboratory and at Pacific Northwest National Laboratory. High temperature test equipment, testing methodologies, and test samples for high temperature (up to 1600º C) tensile strength and long duration creep studies have been established. Specific attention was paid to the architectural fiber preform design as well as the materials used in construction of the composites. Actual testing of both tubular and flat, "dog-bone" shaped tensile composite specimens will begin next year. Since there is no precedence for using ceramic composites within a nuclear reactor, ASTM standard test procedures will be established from these mechanical and environmental tests. Close collaborations between the U.S. national laboratories and international collaborators (i.e. France and Japan) are being forged to establish both national and international test standards to be used to qualify ceramic composites for nuclear reactor applications.

  4. Computer Simulation Methods for Defect Configurations and Nanoscale Structures

    SciTech Connect

    Gao, Fei

    2010-01-01

    This chapter will describe general computer simulation methods, including ab initio calculations, molecular dynamics and kinetic Monte-Carlo method, and their applications to the calculations of defect configurations in various materials (metals, ceramics and oxides) and the simulations of nanoscale structures due to ion-solid interactions. The multiscale theory, modeling, and simulation techniques (both time scale and space scale) will be emphasized, and the comparisons between computer simulation results and exprimental observations will be made.

  5. The 3-D inelastic analyses for computational structural mechanics

    NASA Technical Reports Server (NTRS)

    Hopkins, D. A.; Chamis, C. C.

    1989-01-01

    The 3-D inelastic analysis method is a focused program with the objective to develop computationally effective analysis methods and attendant computer codes for three-dimensional, nonlinear time and temperature dependent problems present in the hot section of turbojet engine structures. Development of these methods was a major part of the Hot Section Technology (HOST) program over the past five years at Lewis Research Center.

  6. A new computational structure for real-time dynamics

    SciTech Connect

    Izaguirre, A. ); Hashimoto, Minoru )

    1992-08-01

    The authors present an efficient structure for the computation of robot dynamics in real time. The fundamental characteristic of this structure is the division of the computation into a high-priority synchronous task and low-priority background tasks, possibly sharing the resources of a conventional computing unit based on commercial microprocessors. The background tasks compute the inertial and gravitational coefficients as well as the forces due to the velocities of the joints. In each control sample period, the high-priority synchronous task computes the product of the inertial coefficients by the accelerations of the joints and performs the summation of the torques due to the velocities and gravitational forces. Kircanski et al. (1986) have shown that the bandwidth of the variation of joint angles and of their velocities is an order of magnitude less than the variation of joint accelerations. This result agrees with the experiments the authors have carried out using a PUMA 260 robot. Two main strategies contribute to reduce the computational burden associated with the evaluation of the dynamic equations. The first involves the use of efficient algorithms for the evaluation of the equations. The second is aimed at reducing the number of dynamic parameters by identifying beforehand the linear dependencies among these parameters, as well as carrying out a significance analysis of the parameters' contribution to the final joint torques. The actual code used to evaluate this dynamic model is entirely computer generated from experimental data, requiring no other manual intervention than performing a campaign of measurements.

  7. Perturbation approach for nuclear magnetic resonance solid-state quantum computation

    DOE PAGESBeta

    Berman, G. P.; Kamenev, D. I.; Tsifrinovich, V. I.

    2003-01-01

    A dynmore » amics of a nuclear-spin quantum computer with a large number ( L = 1000 ) of qubits is considered using a perturbation approach. Small parameters are introduced and used to compute the error in an implementation of an entanglement between remote qubits, using a sequence of radio-frequency pulses. The error is computed up to the different orders of the perturbation theory and tested using exact numerical solution.« less

  8. High-Throughput Computational and Experimental Techniques in Structural Genomics

    PubMed Central

    Chance, Mark R.; Fiser, Andras; Sali, Andrej; Pieper, Ursula; Eswar, Narayanan; Xu, Guiping; Fajardo, J. Eduardo; Radhakannan, Thirumuruhan; Marinkovic, Nebojsa

    2004-01-01

    Structural genomics has as its goal the provision of structural information for all possible ORF sequences through a combination of experimental and computational approaches. The access to genome sequences and cloning resources from an ever-widening array of organisms is driving high-throughput structural studies by the New York Structural Genomics Research Consortium. In this report, we outline the progress of the Consortium in establishing its pipeline for structural genomics, and some of the experimental and bioinformatics efforts leading to structural annotation of proteins. The Consortium has established a pipeline for structural biology studies, automated modeling of ORF sequences using solved (template) structures, and a novel high-throughput approach (metallomics) to examining the metal binding to purified protein targets. The Consortium has so far produced 493 purified proteins from >1077 expression vectors. A total of 95 have resulted in crystal structures, and 81 are deposited in the Protein Data Bank (PDB). Comparative modeling of these structures has generated >40,000 structural models. We also initiated a high-throughput metal analysis of the purified proteins; this has determined that 10%-15% of the targets contain a stoichiometric structural or catalytic transition metal atom. The progress of the structural genomics centers in the U.S. and around the world suggests that the goal of providing useful structural information on most all ORF domains will be realized. This projected resource will provide structural biology information important to understanding the function of most proteins of the cell. PMID:15489337

  9. Computing Nonequilibrium Conformational Dynamics of Structured Nucleic Acid Assemblies.

    PubMed

    Sedeh, Reza Sharifi; Pan, Keyao; Adendorff, Matthew Ralph; Hallatschek, Oskar; Bathe, Klaus-Jürgen; Bathe, Mark

    2016-01-12

    Synthetic nucleic acids can be programmed to form precise three-dimensional structures on the nanometer-scale. These thermodynamically stable complexes can serve as structural scaffolds to spatially organize functional molecules including multiple enzymes, chromophores, and force-sensing elements with internal dynamics that include substrate reaction-diffusion, excitonic energy transfer, and force-displacement response that often depend critically on both the local and global conformational dynamics of the nucleic acid assembly. However, high molecular weight assemblies exhibit long time-scale and large length-scale motions that cannot easily be sampled using all-atom computational procedures such as molecular dynamics. As an alternative, here we present a computational framework to compute the overdamped conformational dynamics of structured nucleic acid assemblies and apply it to a DNA-based tweezer, a nine-layer DNA origami ring, and a pointer-shaped DNA origami object, which consist of 204, 3,600, and over 7,000 basepairs, respectively. The framework employs a mechanical finite element model for the DNA nanostructure combined with an implicit solvent model to either simulate the Brownian dynamics of the assembly or alternatively compute its Brownian modes. Computational results are compared with an all-atom molecular dynamics simulation of the DNA-based tweezer. Several hundred microseconds of Brownian dynamics are simulated for the nine-layer ring origami object to reveal its long time-scale conformational dynamics, and the first ten Brownian modes of the pointer-shaped structure are predicted. PMID:26636351

  10. Structural Materials for Innovative Nuclear Systems

    SciTech Connect

    Yvon, Pascal

    2011-07-01

    This series of slides deal with: the goals for advanced fission reactor systems; the requirements for structural materials; a focus on two important types of materials: ODS and CMC; a focus on materials under irradiation (multiscale modelling, experimental simulation, 'smart' experiments in materials testing reactors); some concluding remarks.

  11. 3D structure and nuclear targets

    NASA Astrophysics Data System (ADS)

    Dupré, Raphaël; Scopetta, Sergio

    2016-06-01

    Recent experimental and theoretical ideas are laying the ground for a new era in the knowledge of the parton structure of nuclei. We report on two promising directions beyond inclusive deep inelastic scattering experiments, aimed at, among other goals, unveiling the three-dimensional structure of the bound nucleon. The 3D structure in coordinate space can be accessed through deep exclusive processes, whose non-perturbative content is parametrized in terms of generalized parton distributions. In this way the distribution of partons in the transverse plane will be obtained, providing a pictorial view of the realization of the European Muon Collaboration effect. In particular, we show how, through the generalized parton distribution framework, non-nucleonic degrees of freedom in nuclei can be unveiled. Analogously, the momentum space 3D structure can be accessed by studying transverse-momentum-dependent parton distributions in semi-inclusive deep inelastic scattering processes. The status of measurements is also summarized, in particular novel coincidence measurements at high-luminosity facilities, such as Jefferson Laboratory. Finally the prospects for the next years at future facilities, such as the 12GeV Jefferson Laboratory and the Electron Ion Collider, are presented.

  12. Nuclear spins and moments: Fundamental structural information

    SciTech Connect

    Semmes, P.B.

    1991-12-31

    Predictions for the low energy structure of well deformed odd-A Pm and Sm nuclei in the A {approx} 130 region are given, based on the particle-rotor model. Distinctive magnetic dipole properties (static moments and transition rates) are expected for certain Nilsson configurations, and comparisons to recent data are made for {sup 133}Pm, {sup 135}Sm and {sup 133}Sm.

  13. Nuclear spins and moments: Fundamental structural information

    SciTech Connect

    Semmes, P.B.

    1991-01-01

    Predictions for the low energy structure of well deformed odd-A Pm and Sm nuclei in the A {approx} 130 region are given, based on the particle-rotor model. Distinctive magnetic dipole properties (static moments and transition rates) are expected for certain Nilsson configurations, and comparisons to recent data are made for {sup 133}Pm, {sup 135}Sm and {sup 133}Sm.

  14. Nuclear structure at intermediate energies. Progress report

    SciTech Connect

    Bonner, B.E.; Mutchler, G.S.

    1992-07-15

    We report here oil the progress that we made for the nine months beginning October 1, 1991 for DOE Grant No. DE-FG05-87ER40309. The report covers the third year of a three year grant. Since we are submitting an accompanying Grant Renewal Proposal, we provide in this report more background information than usual for the different projects. The theme that unites the experiments undertaken by the Bonner Lab Medium Energy Group is a determination to understand in detail the many facets and manifestations of the strong interaction, that which is now referred to as nonperturbative QCD. Whether we are investigating the question of just what does carry the spin of baryons, or the extent of the validity of the SU(6) wavefunctions for the excited hyperons (as will be measured in our CEBAF experiment), or questions associated with the formation of a new state of matter predicted by QCD (the subject of AGS {bar p} experiment E854, AGS heavy ion experiment E810, as-well as the approved STAR experiment at RHIC), - all these projects share this common goal. FNAL E683 may well open a new field of investigation in nuclear physics: That of just how colored quarks and gluons interact with nuclear matter as they traverse nuclei of different-sizes. In most all of the experiments mentioned, above, the Bonner Lab Group is playing major leadership roles as well as doing a big fraction of the hard work that such experiments require. We use many of the facilities that are available to the intermediate energy physics community and we use our expertise to design and fabricate the detectors and instrumentation that are required to perform the measurements which we decide to do. The format we follow in the Progress Report is,to provide a concise, but fairly complete write-up on each project. The publications listed in Section In give much greater detail on many of the projects. The aim in this report is to focus on the physics goals, the results, and their significance.

  15. Impact of new computing systems on computational mechanics and flight-vehicle structures technology

    NASA Technical Reports Server (NTRS)

    Noor, A. K.; Storaasli, O. O.; Fulton, R. E.

    1984-01-01

    Advances in computer technology which may have an impact on computational mechanics and flight vehicle structures technology were reviewed. The characteristics of supersystems, highly parallel systems, and small systems are summarized. The interrelations of numerical algorithms and software with parallel architectures are discussed. A scenario for future hardware/software environment and engineering analysis systems is presented. Research areas with potential for improving the effectiveness of analysis methods in the new environment are identified.

  16. GASFLOW: A computational model to analyze accidents in nuclear containment and facility buildings

    SciTech Connect

    Travis, J.R. ); Nichols, B.D.; Wilson, T.L.; Lam, K.L.; Spore, J.W.; Niederauer, G.F. )

    1993-01-01

    GASFLOW is a finite-volume computer code that solves the time-dependent, compressible Navier-Stokes equations for multiple gas species. The fluid-dynamics algorithm is coupled to the chemical kinetics of combusting liquids or gases to simulate diffusion or propagating flames in complex geometries of nuclear containment or confinement and facilities' buildings. Fluid turbulence is calculated to enhance the transport and mixing of gases in rooms and volumes that may be connected by a ventilation system. The ventilation system may consist of extensive ductwork, filters, dampers or valves, and fans. Condensation and heat transfer to walls, floors, ceilings, and internal structures are calculated to model the appropriate energy sinks. Solid and liquid aerosol behavior is simulated to give the time and space inventory of radionuclides. The solution procedure of the governing equations is a modified Los Alamos ICE'd-ALE methodology. Complex facilities can be represented by separate computational domains (multiblocks) that communicate through overlapping boundary conditions. The ventilation system is superimposed throughout the multiblock mesh. Gas mixtures and aerosols are transported through the free three-dimensional volumes and the restricted one-dimensional ventilation components as the accident and fluid flow fields evolve. Combustion may occur if sufficient fuel and reactant or oxidizer are present and have an ignition source. Pressure and thermal loads on the building, structural components, and safety-related equipment can be determined for specific accident scenarios. GASFLOW calculations have been compared with large oil-pool fire tests in the 1986 HDR containment test T52.14, which is a 3000-kW fire experiment. The computed results are in good agreement with the observed data.

  17. Probing nuclear structure of {sup 124}Xe

    SciTech Connect

    Saha, B.; Dewald, A.; Moeller, O.; Peusquens, R.; Jessen, K.; Fitzler, A.; Klug, T.; Tonev, D.; Brentano, P. von; Jolie, J.; Gall, B.J.P.; Petkov, P.

    2004-09-01

    Excited states in {sup 124}Xe were populated in the fusion-evaporation reaction {sup 110}Pd({sup 18}O,4n){sup 124}Xe at a beam energy of 80 MeV. A recoil distance measurement using the Euroball spectrometer in Strasbourg and the Cologne plunger was performed. Altogether 19 lifetimes of excited states in six different bands were determined using gated spectra only, in order to avoid problems related to feeding. The measured B(E2) values were used to derive the nuclear deformation of {sup 124}Xe and the interaction of the ground state band with two s bands. Two sd-IBM-1 calculations with two Hamiltonians of different complexities were performed, which show a good agreement with the measured B(E2) values in the ground state band and the quasi-{gamma} band. The deduced B(M1) values for the regular M1 band show the behavior expected for magnetic rotation. However, it is also shown that these experimental B(M1) values can be described on the basis of a rotational band as well.

  18. Nuclear structure at high angular momentum

    SciTech Connect

    Stephens, F.S.

    1980-06-01

    This review paper begins by discussing the limits faced in the attempts to get nuclei to hold very high angular momentum. The method presently used to produce nuclei with the maximum angular momentum is described. Then the physics of high-spin states is taken up; some properties of a purely collective, classical rotor are described, and the effects of coupling single-particle motion to this are considered. Next, backbending, its causes, and a new spectroscopy of bands and backbends at high spin values are discussed. Noncollective states occur when the nuclear angular momentum is carried by a few high-j particles and is aligned along a symmetry axis. There results an irregular yrast line, along which there are no collective transitions. Noncollective behavior in the lead region, the hafnium region, and the N = 82 region is examined. Then the discussion moves on to collective behavior and recent studies on continuum spectra. Evidence for rotation is given, and effective moments of inertia for this rotation are evaluated. Finally, current ..gamma..-ray energy correlation studies are described. 68 references, 36 figures. (RWR)

  19. The Structure Inventory of the Nuclear Pore Complex.

    PubMed

    Schwartz, Thomas U

    2016-05-22

    The nuclear pore complex (NPC) is the principal gateway for molecular exchange between nucleus and cytoplasm across the nuclear envelope. Due to its sheer size of estimated 50-112MDa and its complex buildup from about 500-1000 individual proteins, it is a difficult object to study for structural biologists. Here, I review the extensive ensemble of high-resolution structures of the building blocks of the NPC. Concurrent with the increase in size and complexity, these latest, large structures and assemblies can now be used as the basis for hybrid approaches, primarily in combination with cryo-electron microscopic analysis, generating the first structure-based assembly models of the NPC. Going forward, the structures will be critically important for a detailed analysis of the NPC, including function, evolution, and assembly. PMID:27016207

  20. Isotropic 3D Nuclear Morphometry of Normal, Fibrocystic and Malignant Breast Epithelial Cells Reveals New Structural Alterations

    PubMed Central

    Nandakumar, Vivek; Kelbauskas, Laimonas; Hernandez, Kathryn F.; Lintecum, Kelly M.; Senechal, Patti; Bussey, Kimberly J.; Davies, Paul C. W.; Johnson, Roger H.; Meldrum, Deirdre R.

    2012-01-01

    Background Grading schemes for breast cancer diagnosis are predominantly based on pathologists' qualitative assessment of altered nuclear structure from 2D brightfield microscopy images. However, cells are three-dimensional (3D) objects with features that are inherently 3D and thus poorly characterized in 2D. Our goal is to quantitatively characterize nuclear structure in 3D, assess its variation with malignancy, and investigate whether such variation correlates with standard nuclear grading criteria. Methodology We applied micro-optical computed tomographic imaging and automated 3D nuclear morphometry to quantify and compare morphological variations between human cell lines derived from normal, benign fibrocystic or malignant breast epithelium. To reproduce the appearance and contrast in clinical cytopathology images, we stained cells with hematoxylin and eosin and obtained 3D images of 150 individual stained cells of each cell type at sub-micron, isotropic resolution. Applying volumetric image analyses, we computed 42 3D morphological and textural descriptors of cellular and nuclear structure. Principal Findings We observed four distinct nuclear shape categories, the predominant being a mushroom cap shape. Cell and nuclear volumes increased from normal to fibrocystic to metastatic type, but there was little difference in the volume ratio of nucleus to cytoplasm (N/C ratio) between the lines. Abnormal cell nuclei had more nucleoli, markedly higher density and clumpier chromatin organization compared to normal. Nuclei of non-tumorigenic, fibrocystic cells exhibited larger textural variations than metastatic cell nuclei. At p<0.0025 by ANOVA and Kruskal-Wallis tests, 90% of our computed descriptors statistically differentiated control from abnormal cell populations, but only 69% of these features statistically differentiated the fibrocystic from the metastatic cell populations. Conclusions Our results provide a new perspective on nuclear structure variations

  1. Computer modelling of DNA structures involved in chromosome maintenance.

    PubMed Central

    Eckdahl, T T; Anderson, J N

    1987-01-01

    Sequence-dependent DNA bending of synthetic and natural molecules was studied by computer analysis. Modelling of synthetic oligonucleotides and of 107 kb of natural sequences gave results which closely resembled published electrophoretic data, demonstrating the powerful predictive capacity of the procedure. The analysis was extended to the study of DNA structures involved in chromosome maintenance. Centromeric DNAs from yeast were found to have sequences in their functional elements which cause them to be unusually straight. Autonomous replicating sequences were found to have two structural domains, one consisting of unusually straight sequences surrounding the consensus and the other of bending elements in flanking DNA. In addition to a structural homology, centromeric and autonomous replicating sequences share common sequence elements. These observations show that computer modelling of natural sequences is a viable approach to the study of the biological implications of alternative DNA structures. PMID:3671091

  2. PDBparam: Online Resource for Computing Structural Parameters of Proteins

    PubMed Central

    Nagarajan, R.; Archana, A.; Thangakani, A. Mary; Jemimah, S.; Velmurugan, D.; Gromiha, M. Michael

    2016-01-01

    Understanding the structure–function relationship in proteins is a longstanding goal in molecular and computational biology. The development of structure-based parameters has helped to relate the structure with the function of a protein. Although several structural features have been reported in the literature, no single server can calculate a wide-ranging set of structure-based features from protein three-dimensional structures. In this work, we have developed a web-based tool, PDBparam, for computing more than 50 structure-based features for any given protein structure. These features are classified into four major categories: (i) interresidue interactions, which include short-, medium-, and long-range interactions, contact order, long-range order, total contact distance, contact number, and multiple contact index, (ii) secondary structure propensities such as α-helical propensity, β-sheet propensity, and propensity of amino acids to exist at various positions of α-helix and amino acid compositions in high B-value regions, (iii) physicochemical properties containing ionic interactions, hydrogen bond interactions, hydrophobic interactions, disulfide interactions, aromatic interactions, surrounding hydrophobicity, and buriedness, and (iv) identification of binding site residues in protein–protein, protein–nucleic acid, and protein–ligand complexes. The server can be freely accessed at http://www.iitm.ac.in/bioinfo/pdbparam/. We suggest the use of PDBparam as an effective tool for analyzing protein structures. PMID:27330281

  3. Nuclear Structure Corrections in Muonic Deuterium

    SciTech Connect

    Pachucki, Krzysztof

    2011-05-13

    The muonic hydrogen experiment measuring the 2P-2S transition energy [R. Pohl et al., Nature (London) 466, 213 (2010)] is significantly discrepant with theoretical predictions based on quantum electrodynamics. A possible approach to resolve this conundrum is to compare experimental values with theoretical predictions in another system, muonic deuterium {mu}D. The only correction which might be questioned in {mu}D is that due to the deuteron polarizability. We investigate this effect in detail and observe cancellation with the elastic contribution. The total value obtained for the deuteron structure correction in the 2P-2S transition is 1.680(16) meV.

  4. Information and computer-aided system for structural materials

    NASA Astrophysics Data System (ADS)

    Nekrashevitch, Ju. G.; Nizametdinov, Sh. U.; Polkovnikov, A. V.; Rumjantzev, V. P.; Surina, O. N.; Kalinin, G. M.; Sidorenkov, A. V.; Strebkov, Ju. S.

    1992-09-01

    An information and computer-aided system for structural materials data has been developed to provide data for the fusion and fission reactor system design. It is designed for designers, industrial engineers, and material science specialists and provides a friendly interface in an interactive mode. The database for structural materials contains the master files: chemical composition, physical, mechanical, corrosion, technological properties, regulatory and technical documentation. The system is implemented on a PC/AT running the PS/2 operating system.

  5. Computational structures technology and UVA Center for CST

    NASA Technical Reports Server (NTRS)

    Noor, Ahmed K.

    1992-01-01

    Rapid advances in computer hardware have had a profound effect on various engineering and mechanics disciplines, including the materials, structures, and dynamics disciplines. A new technology, computational structures technology (CST), has recently emerged as an insightful blend between material modeling, structural and dynamic analysis and synthesis on the one hand, and other disciplines such as computer science, numerical analysis, and approximation theory, on the other hand. CST is an outgrowth of finite element methods developed over the last three decades. The focus of this presentation is on some aspects of CST which can impact future airframes and propulsion systems, as well as on the newly established University of Virginia (UVA) Center for CST. The background and goals for CST are described along with the motivations for developing CST, and a brief discussion is made on computational material modeling. We look at the future in terms of technical needs, computing environment, and research directions. The newly established UVA Center for CST is described. One of the research projects of the Center is described, and a brief summary of the presentation is given.

  6. The development of regulatory expectations for computer-based safety systems for the UK nuclear programme

    SciTech Connect

    Hughes, P. J.; Westwood, R.N; Mark, R. T.; Tapping, K.

    2006-07-01

    The Nuclear Installations Inspectorate (NII) of the UK's Health and Safety Executive (HSE) has completed a review of their Safety Assessment Principles (SAPs) for Nuclear Installations recently. During the period of the SAPs review in 2004-2005 the designers of future UK naval reactor plant were optioneering the control and protection systems that might be implemented. Because there was insufficient regulatory guidance available in the naval sector to support this activity the Defence Nuclear Safety Regulator (DNSR) invited the NII to collaborate with the production of a guidance document that provides clarity of regulatory expectations for the production of safety cases for computer based safety systems. A key part of producing regulatory expectations was identifying the relevant extant standards and sector guidance that reflect good practice. The three principal sources of such good practice were: IAEA Safety Guide NS-G-1.1 (Software for Computer Based Systems Important to Safety in Nuclear Power Plants), European Commission consensus document (Common Position of European Nuclear Regulators for the Licensing of Safety Critical Software for Nuclear Reactors) and IEC nuclear sector standards such as IEC60880. A common understanding has been achieved between the NII and DNSR and regulatory guidance developed which will be used by both NII and DNSR in the assessment of computer-based safety systems and in the further development of more detailed joint technical assessment guidance for both regulatory organisations. (authors)

  7. High-spin nuclear structure data on the Internet

    SciTech Connect

    Singh, B. |

    1997-12-31

    The study of nuclear structure at fast nuclear rotations, using fusion-evaporation reactions, started in the early sixties but since the experimental observation of superdeformation about a decade ago it has become one of the most pursued research topics in nuclear physics. Large gamma-ray detector arrays GAMMASPHERE, EUROGAM, and GASP were developed during the last few years and these continue to produce a wealth of new, information about the properties of nuclei at high spins, including superdeformation. It is considered vital to compile, evaluate and systematize published data on many thousands of levels and gamma rays and associated nuclear bands obtained in such studies and make these available to the research community in conveniently retrievable and modern formats. This talk will describe the numerical, bibliographic and other high-spin related databases that are already accessible via INTERNET. Present limitations and ways to improve the current status and display of such databases will also be discussed.

  8. Nuclear clusters and structure in light nuclei

    SciTech Connect

    Kokalova, Tz.; Oertzen, W. von; Thummerer, S.; Bohlen, H.G.; Milin, M.; Tumino, A.; De Angelis, G.; Farnea, E.; Axiotis, M.; Marginean, N.; Napoli, D.R.; Lenzi, S.M.; Ur, C.; Rousseau, M.; Papka, P.

    2004-02-27

    We have studied the {gamma}-decay properties of 21Ne up to the limits of the particle emission thresholds in order to establish the band structure. The GASP {gamma}-ray detector array together with the multi-detector array, ISIS, were used for the selection of the reaction channels. The reaction 16O(7Li,pn)21Ne has been studied at E=29 MeV. The observed decays in 21Ne, support the identification of parity doublets with states of opposite parity connected by strong dipole transitions. The behaviour of the octupole deformed bands in 21Ne is interpreted as consisting of an intrinsic reflection asymmetric (4He+16O)-structure with an additional valence neutron in {sigma}- and {pi}-orbitals. Using the same experimental set-up the emission of the light unbound cluster 8Be has been studied in the reaction 18O+13C{yields}31Si{yields}23Ne+8Be. The emission has been studied relative to the sequential emission of 2{alpha}-particles.

  9. Frequency response modeling and control of flexible structures: Computational methods

    NASA Technical Reports Server (NTRS)

    Bennett, William H.

    1989-01-01

    The dynamics of vibrations in flexible structures can be conventiently modeled in terms of frequency response models. For structural control such models capture the distributed parameter dynamics of the elastic structural response as an irrational transfer function. For most flexible structures arising in aerospace applications the irrational transfer functions which arise are of a special class of pseudo-meromorphic functions which have only a finite number of right half place poles. Computational algorithms are demonstrated for design of multiloop control laws for such models based on optimal Wiener-Hopf control of the frequency responses. The algorithms employ a sampled-data representation of irrational transfer functions which is particularly attractive for numerical computation. One key algorithm for the solution of the optimal control problem is the spectral factorization of an irrational transfer function. The basis for the spectral factorization algorithm is highlighted together with associated computational issues arising in optimal regulator design. Options for implementation of wide band vibration control for flexible structures based on the sampled-data frequency response models is also highlighted. A simple flexible structure control example is considered to demonstrate the combined frequency response modeling and control algorithms.

  10. Computational simulation for analysis and synthesis of impact resilient structure

    NASA Astrophysics Data System (ADS)

    Djojodihardjo, Harijono

    2013-10-01

    Impact resilient structures are of great interest in many engineering applications varying from civil, land vehicle, aircraft and space structures, to mention a few examples. To design such structure, one has to resort fundamental principles and take into account progress in analytical and computational approaches as well as in material science and technology. With such perspectives, this work looks at a generic beam and plate structure subject to impact loading and carry out analysis and numerical simulation. The first objective of the work is to develop a computational algorithm to analyze flat plate as a generic structure subjected to impact loading for numerical simulation and parametric study. The analysis will be based on dynamic response analysis. Consideration is given to the elastic-plastic region. The second objective is to utilize the computational algorithm for direct numerical simulation, and as a parallel scheme, commercial off-the shelf numerical code is utilized for parametric study, optimization and synthesis. Through such analysis and numerical simulation, effort is devoted to arrive at an optimum configuration in terms of loading, structural dimensions, material properties and composite lay-up, among others. Results will be discussed in view of practical applications.

  11. Live CLEM imaging to analyze nuclear structures at high resolution.

    PubMed

    Haraguchi, Tokuko; Osakada, Hiroko; Koujin, Takako

    2015-01-01

    Fluorescence microscopy (FM) and electron microscopy (EM) are powerful tools for observing molecular components in cells. FM can provide temporal information about cellular proteins and structures in living cells. EM provides nanometer resolution images of cellular structures in fixed cells. We have combined FM and EM to develop a new method of correlative light and electron microscopy (CLEM), called "Live CLEM." In this method, the dynamic behavior of specific molecules of interest is first observed in living cells using fluorescence microscopy (FM) and then cellular structures in the same cell are observed using electron microscopy (EM). Following image acquisition, FM and EM images are compared to enable the fluorescent images to be correlated with the high-resolution images of cellular structures obtained using EM. As this method enables analysis of dynamic events involving specific molecules of interest in the context of specific cellular structures at high resolution, it is useful for the study of nuclear structures including nuclear bodies. Here we describe Live CLEM that can be applied to the study of nuclear structures in mammalian cells. PMID:25555577

  12. Computational neutronic analysis of the nuclear vapor thermal rocket engine

    SciTech Connect

    Dugan, E.T.; Watanabe, Y.; Kuras, S.; Maya, I.; Diaz, N.J. )

    1992-01-01

    Calculational procedures and results are presented for the neutronic analysis of the Nuclear Vapor Thermal Reactor (NVTR) rocket engine. The NVTR, in a rocket engine, uses modified NERVA geometry and systems with the solid fuel replaced by highly enriched (>85%) uranium tetrafluoride (UF[sub 4]) vapor. In the NVTR, the hydrogen propellant is the primary coolant, is physically separated from the UF[sub 4] vapor (which is not circulated), is maintained at high pressure (50 to 100 atm), and exits the core at 3100 to 3500 K.

  13. Computational design of proteins with novel structure and functions

    NASA Astrophysics Data System (ADS)

    Wei, Yang; Lu-Hua, Lai

    2016-01-01

    Computational design of proteins is a relatively new field, where scientists search the enormous sequence space for sequences that can fold into desired structure and perform desired functions. With the computational approach, proteins can be designed, for example, as regulators of biological processes, novel enzymes, or as biotherapeutics. These approaches not only provide valuable information for understanding of sequence-structure-function relations in proteins, but also hold promise for applications to protein engineering and biomedical research. In this review, we briefly introduce the rationale for computational protein design, then summarize the recent progress in this field, including de novo protein design, enzyme design, and design of protein-protein interactions. Challenges and future prospects of this field are also discussed. Project supported by the National Basic Research Program of China (Grant No. 2015CB910300), the National High Technology Research and Development Program of China (Grant No. 2012AA020308), and the National Natural Science Foundation of China (Grant No. 11021463).

  14. Nonlinear structural analysis on distributed-memory computers

    NASA Technical Reports Server (NTRS)

    Watson, Brian C.; Noor, Ahmed K.

    1995-01-01

    A computational strategy is presented for the nonlinear static and postbuckling analyses of large complex structures on massively parallel computers. The strategy is designed for distributed-memory, message-passing parallel computer systems. The key elements of the proposed strategy are: (1) a multiple-parameter reduced basis technique; (2) a nested dissection (or multilevel substructuring) ordering scheme; (3) parallel assembly of global matrices; and (4) a parallel sparse equation solver. The effectiveness of the strategy is assessed by applying it to thermo-mechanical postbuckling analyses of stiffened composite panels with cutouts, and nonlinear large-deflection analyses of HSCT models on Intel Paragon XP/S computers. The numerical studies presented demonstrate the advantages of nested dissection-based solvers over traditional skyline-based solvers on distributed memory machines.

  15. Two-Year-Olds Compute Syntactic Structure On-Line

    ERIC Educational Resources Information Center

    Bernal, Savita; Dehaene-Lambertz, Ghislaine; Millotte, Severine; Christophe, Anne

    2010-01-01

    Syntax allows human beings to build an infinite number of new sentences from a finite stock of words. Because toddlers typically utter only one or two words at a time, they have been thought to have no syntax. Using event-related potentials (ERPs), we demonstrated that 2-year-olds do compute syntactic structure when listening to spoken sentences.…

  16. The NASA NASTRAN structural analysis computer program - New content

    NASA Technical Reports Server (NTRS)

    Weidman, D. J.

    1978-01-01

    Capabilities of a NASA-developed structural analysis computer program, NASTRAN, are evaluated with reference to finite-element modelling. Applications include the automotive industry as well as aerospace. It is noted that the range of sub-programs within NASTRAN has expanded, while keeping user cost low.

  17. Computational Structures Technology for Airframes and Propulsion Systems

    NASA Technical Reports Server (NTRS)

    Noor, Ahmed K. (Compiler); Housner, Jerrold M. (Compiler); Starnes, James H., Jr. (Compiler); Hopkins, Dale A. (Compiler); Chamis, Christos C. (Compiler)

    1992-01-01

    This conference publication contains the presentations and discussions from the joint University of Virginia (UVA)/NASA Workshops. The presentations included NASA Headquarters perspectives on High Speed Civil Transport (HSCT), goals and objectives of the UVA Center for Computational Structures Technology (CST), NASA and Air Force CST activities, CST activities for airframes and propulsion systems in industry, and CST activities at Sandia National Laboratory.

  18. Alternative Goal Structures for Computer Game-Based Learning

    ERIC Educational Resources Information Center

    Ke, Fengfeng

    2008-01-01

    This field study investigated the application of cooperative, competitive, and individualistic goal structures in classroom use of computer math games and its impact on students' math performance and math learning attitudes. One hundred and sixty 5th-grade students were recruited and randomly assigned to Teams-Games-Tournament cooperative gaming,…

  19. A Diagnostic Study of Computer Application of Structural Communication Grid

    ERIC Educational Resources Information Center

    Bahar, Mehmet; Aydin, Fatih; Karakirik, Erol

    2009-01-01

    In this article, Structural communication grid (SCG), an alternative measurement and evaluation technique, has been firstly summarised and the design, development and implementation of a computer based SCG system have been introduced. The system is then tested on a sample of 154 participants consisting of candidate students, science teachers and…

  20. A-dependence of weak nuclear structure functions

    SciTech Connect

    Haider, H.; Athar, M. Sajjad; Simo, I. Ruiz

    2015-05-15

    Effect of nuclear medium on the weak structure functions F{sub 2}{sup A}(x, Q{sup 2}) and F{sub 3}{sup A}(x, Q{sup 2}) have been studied using charged current (anti)neutrino deep inelastic scattering on various nuclear targets. Relativistic nuclear spectral function which incorporate Fermi motion, binding and nucleon correlations are used for the calculations. We also consider the pion and rho meson cloud contributions calculated from a microscopic model for meson-nucleus self-energies. Using these structure functions, F{sub i}{sup A}/F{sub i}{sup proton} and F{sub i}{sup A}/F{sub i}{sup deuteron}(i=2,3, A={sup 12}C, {sup 16}O, CH and H{sub 2}O) are obtained.

  1. Structure and gating of the nuclear pore complex

    PubMed Central

    Eibauer, Matthias; Pellanda, Mauro; Turgay, Yagmur; Dubrovsky, Anna; Wild, Annik; Medalia, Ohad

    2015-01-01

    Nuclear pore complexes (NPCs) perforate the nuclear envelope and allow the exchange of macromolecules between the nucleus and the cytoplasm. To acquire a deeper understanding of this transport mechanism, we analyse the structure of the NPC scaffold and permeability barrier, by reconstructing the Xenopus laevis oocyte NPC from native nuclear envelopes up to 20 Å resolution by cryo-electron tomography in conjunction with subtomogram averaging. In addition to resolving individual protein domains of the NPC constituents, we propose a model for the architecture of the molecular gate at its central channel. Furthermore, we compare and contrast this native NPC structure to one that exhibits reduced transport activity and unveil the spatial properties of the NPC gate. PMID:26112706

  2. Brine: a computer program to compute brine migration adjacent to a nuclear waste canister in a salt repository

    SciTech Connect

    Duckworth, G.D.; Fuller, M.E.

    1980-06-10

    This report presents a mathematical model used to predict brine migration toward a nuclear waste canister in a bedded salt repository. The mathematical model is implemented in a computer program called BRINE. The program is written in FORTRAN and executes in the batch mode on a CDC 7600. A description of the program input requirements and output available is included. Samples of input and output are given.

  3. Exploring Nuclear Effects in the Dynamics of Nanomaterials with a Quantum Trajectory-Electronic Structure Approach

    NASA Astrophysics Data System (ADS)

    Garashchuk, Sophya

    2014-03-01

    A massively parallel, direct quantum molecular dynamics method is described. The method combines a quantum trajectory (QT) representation of the nuclear wavefunction discretized into an ensemble of trajectories with an electronic structure (ES) description of electrons, namely using the Density Functional Tight Binding (DFTB) theory. Quantum nuclear effects are included into the dynamics of the nuclei via quantum corrections to the classical forces. To reduce computational cost and increase numerical accuracy, the quantum corrections to dynamics resulting from localization of the nuclear wavefunction are computed approximately and included into selected degrees of freedom representing light particles where the quantum effects are expected to be the most pronounced. A massively parallel implementation, based on the Message Passing Interface allows for efficient simulations of ensembles of thousands of trajectories at once. The QTES-DFTB dynamics approach is employed to study the role of quantum nuclear effects on the interaction of hydrogen with a model graphene sheet, revealing that neglect of nuclear effects can lead to an overestimation of adsorption. Supported by the National Science Foundation and the Petroleum Research Fund of the American Chemical Society.

  4. 10. Photocopy of drawing, February 1958, NUCLEAR REACTOR FACILITY, STRUCTURAL ...

    Library of Congress Historic Buildings Survey, Historic Engineering Record, Historic Landscapes Survey

    10. Photocopy of drawing, February 1958, NUCLEAR REACTOR FACILITY, STRUCTURAL CROSS SECTION. Giffals & Vallet, Inc., L. Rosetti, Associated Architects and Engineers, Detroit, Michigan; and U.S. Army Engineer Division, New England Corps of Engineers, Boston, Massachusetts. Drawing Number 35-84-04. (Original: AMTL Engineering Division, Watertown). - Watertown Arsenal, Building No. 100, Wooley Avenue, Watertown, Middlesex County, MA

  5. Passive cooling system for nuclear reactor containment structure

    DOEpatents

    Gou, Perng-Fei; Wade, Gentry E.

    1989-01-01

    A passive cooling system for the contaminant structure of a nuclear reactor plant providing protection against overpressure within the containment attributable to inadvertent leakage or rupture of the system components. The cooling system utilizes natural convection for transferring heat imbalances and enables the discharge of irradiation free thermal energy to the atmosphere for heat disposal from the system.

  6. Natural circulating passive cooling system for nuclear reactor containment structure

    DOEpatents

    Gou, Perng-Fei; Wade, Gentry E.

    1990-01-01

    A passive cooling system for the contaminant structure of a nuclear reactor plant providing protection against overpressure within the containment attributable to inadvertent leakage or rupture of the system components. The cooling system utilizes natural convection for transferring heat imbalances and enables the discharge of irradiation free thermal energy to the atmosphere for heat disposal from the system.

  7. Structural mode significance using INCA. [Interactive Controls Analysis computer program

    NASA Technical Reports Server (NTRS)

    Bauer, Frank H.; Downing, John P.; Thorpe, Christopher J.

    1990-01-01

    Structural finite element models are often too large to be used in the design and analysis of control systems. Model reduction techniques must be applied to reduce the structural model to manageable size. In the past, engineers either performed the model order reduction by hand or used distinct computer programs to retrieve the data, to perform the significance analysis and to reduce the order of the model. To expedite this process, the latest version of INCA has been expanded to include an interactive graphical structural mode significance and model order reduction capability.

  8. Computer-aided structural design of a lunar radio telescope

    NASA Technical Reports Server (NTRS)

    Akgul, Ferhat; Gerstle, Walter H.; Johnson, Stewart W.

    1990-01-01

    This paper describes a computer-aided structural design of the main reflector of a fully steerable radio telescope to be located (in the 21st century) on the moon, and presents the results of the structural analysis of the reflector. The reflector is a paraboloid with a surface area of 12,660 sq m and a focal ratio of 0.42. The reflector's surface will be covered by a 5.08 cm-thick sandwich panel made of thin-walled aluminum cells filled with low-density foam. The low weight of the design will be achieved by using graphite-epoxy as the structural material.

  9. In situ structural analysis of the human nuclear pore complex.

    PubMed

    von Appen, Alexander; Kosinski, Jan; Sparks, Lenore; Ori, Alessandro; DiGuilio, Amanda L; Vollmer, Benjamin; Mackmull, Marie-Therese; Banterle, Niccolo; Parca, Luca; Kastritis, Panagiotis; Buczak, Katarzyna; Mosalaganti, Shyamal; Hagen, Wim; Andres-Pons, Amparo; Lemke, Edward A; Bork, Peer; Antonin, Wolfram; Glavy, Joseph S; Bui, Khanh Huy; Beck, Martin

    2015-10-01

    Nuclear pore complexes are fundamental components of all eukaryotic cells that mediate nucleocytoplasmic exchange. Determining their 110-megadalton structure imposes a formidable challenge and requires in situ structural biology approaches. Of approximately 30 nucleoporins (Nups), 15 are structured and form the Y and inner-ring complexes. These two major scaffolding modules assemble in multiple copies into an eight-fold rotationally symmetric structure that fuses the inner and outer nuclear membranes to form a central channel of ~60 nm in diameter. The scaffold is decorated with transport-channel Nups that often contain phenylalanine-repeat sequences and mediate the interaction with cargo complexes. Although the architectural arrangement of parts of the Y complex has been elucidated, it is unclear how exactly it oligomerizes in situ. Here we combine cryo-electron tomography with mass spectrometry, biochemical analysis, perturbation experiments and structural modelling to generate, to our knowledge, the most comprehensive architectural model of the human nuclear pore complex to date. Our data suggest previously unknown protein interfaces across Y complexes and to inner-ring complex members. We show that the transport-channel Nup358 (also known as Ranbp2) has a previously unanticipated role in Y-complex oligomerization. Our findings blur the established boundaries between scaffold and transport-channel Nups. We conclude that, similar to coated vesicles, several copies of the same structural building block--although compositionally identical--engage in different local sets of interactions and conformations. PMID:26416747

  10. A computer vision-based approach for structural displacement measurement

    NASA Astrophysics Data System (ADS)

    Ji, Yunfeng

    2010-04-01

    Along with the incessant advancement in optics, electronics and computer technologies during the last three decades, commercial digital video cameras have experienced a remarkable evolution, and can now be employed to measure complex motions of objects with sufficient accuracy, which render great assistance to structural displacement measurement in civil engineering. This paper proposes a computer vision-based approach for dynamic measurement of structures. One digital camera is used to capture image sequences of planar targets mounted on vibrating structures. The mathematical relationship between image plane and real space is established based on computer vision theory. Then, the structural dynamic displacement at the target locations can be quantified using point reconstruction rules. Compared with other tradition displacement measurement methods using sensors, such as accelerometers, linear-variable-differential-transducers (LVDTs) and global position system (GPS), the proposed approach gives the main advantages of great flexibility, a non-contact working mode and ease of increasing measurement points. To validate, four tests of sinusoidal motion of a point, free vibration of a cantilever beam, wind tunnel test of a cross-section bridge model, and field test of bridge displacement measurement, are performed. Results show that the proposed approach can attain excellent accuracy compared with the analytical ones or the measurements using conventional transducers, and proves to deliver an innovative and low cost solution to structural displacement measurement.

  11. Computer Management of Information and Structure in Computer-Supported Instructional Materials

    ERIC Educational Resources Information Center

    Jacobson, Milton D.; MacDougall, Mary Ann

    1970-01-01

    "This paper reports the use of readability analysis as an evaluative model of programming techniques, where program adaptations can be evaluated both in relationship to student performance and to the program structure (frame, response, content presentation and organization variables) of a computer-based system." (Authors)

  12. Beginning Computer Modeling for the Structure and Evolution of the Stars

    NASA Astrophysics Data System (ADS)

    Olsen, K. H.

    1998-05-01

    Vastly improved understanding of the internal structure and evolution of the stars is one of the extremely successful accomplishments of late 20th century physics and astrophysics. Electronic computers played an essential and pivotal role in the theoretical phases of these developments. Theoreticians had attempted to construct mathematical models of stars since the late nineteenth century, but growth of understanding was slow because: (1) The requisite atomic and nuclear physics was then largely unknown; (2) The four simultaneous non-linear partial differential equations of stellar structure were impossible to solve analytically, thus requiring questionable approximations or extremely tedious and error-prone large-scale numerical integrations with hand-operated mechanical calculators. By 1940 some important basic properties of white dwarfs and main-sequence stars had been deduced but most other stellar types in the Hertzsprung-Russell diagram remained puzzles. Urgent computational needs of the Manhattan Project and its immediate post-war extensions greatly spurred the invention and rapid development of modern, high-speed, stored-program electronic computers. Simultaneously, new numerical techniques were conceived to take full advantage of the unique capabilities of the new machines. John von Neumann and Los Alamos associates were highly influential in both of these revolutions. Many problems important for the nuclear laboratories required detailed solutions to complex equations similar to the basic equations of stellar structure. Thus, when Martin Schwarzschild, Louis Henyey, Marshal Wrubel and their students and collaborators began applying modern computers to problems in stellar physics, they often had to explore new numerical techniques to fit their own problems. This paper outlines how astrophysicists adapted their insights, thinking and working methods in beginning the transition to computer modeling which came to totally dominate the field by the late-1960s.

  13. TORAC User's Manual. A computer code for analyzing tornado-induced flow and material transport in nuclear facilities

    SciTech Connect

    Andrae, R.W.; Tang, P.K.; Martin, R.A.; Gregory, W.S.

    1985-05-01

    This manual describes the TORAC computer code, which can model tornado-induced flows, pressures, and material transport within structures. Future versions of this code will have improved analysis capabilities. In addition, it is part of a family of computer codes that is designed to provide improved methods of safety analysis for the nuclear industry. TORAC is directed toward the analysis of facility ventilation systems, including interconnected rooms and corridors. TORAC is an improved version of the TVENT computer code. In TORAC, blowers can be turned on and off and dampers can be controlled with an arbitrary time function. The material transport capability is very basic and includes convection, depletion, entrainment, and filtration of material. The input specifications for the code and a variety of sample problems are provided. 53 refs., 62 figs.

  14. A computer system to analyze showers in nuclear emulsions: Center Director's discretionary fund report

    NASA Technical Reports Server (NTRS)

    Meegan, C. A.; Fountain, W. F.; Berry, F. A., Jr.

    1987-01-01

    A system to rapidly digitize data from showers in nuclear emulsions is described. A TV camera views the emulsions though a microscope. The TV output is superimposed on the monitor of a minicomputer. The operator uses the computer's graphics capability to mark the positions of particle tracks. The coordinates of each track are stored on a disk. The computer then predicts the coordinates of each track through successive layers of emulsion. The operator, guided by the predictions, thus tracks and stores the development of the shower. The system provides a significant improvement over purely manual methods of recording shower development in nuclear emulsion stacks.

  15. Distributed computer taxonomy based on O/S structure

    NASA Technical Reports Server (NTRS)

    Foudriat, Edwin C.

    1985-01-01

    The taxonomy considers the resource structure at the operating system level. It compares a communication based taxonomy with the new taxonomy to illustrate how the latter does a better job when related to the client's view of the distributed computer. The results illustrate the fundamental features and what is required to construct fully distributed processing systems. The problem of using network computers on the space station is addressed. A detailed discussion of the taxonomy is not given here. Information is given in the form of charts and diagrams that were used to illustrate a talk.

  16. Precision Penning Trap Mass Measurements for Nuclear Structure at Triumf

    NASA Astrophysics Data System (ADS)

    Kwiatkowski, A. A.; Dilling, J.; Andreoiu, C.; Brunner, T.; Chaudhuri, A.; Chowdhury, U.; Delheij, P.; Ettenauer, S.; Frekers, D.; Gallant, A. T.; Grossheim, A.; Gwinner, G.; Lennarz, A.; Mané, E.; Pearson, M. R.; Schultz, B. E.; Simon, M. C.; Simon, V. V.

    2013-03-01

    Precision determinations of ground state or even isomeric state masses reveal fingerprints of nuclear structure. In particular at the limits at existence for very neutron-rich or deficient isotopes, this allows one to find detailed information about nuclear structure from separation energies or binding energies. This is important to test theoretical predictions or to refine model approaches, for example for new "magic numbers," as predicted around N = 34, where strong indications exist that the inclusion of NNN forces in theoretical calculations for Ca isotopes leads to significantly better predictions for ground state binding energies. Similarly, halo nuclei present an excellent application for ab-initio theory, where ground state properties, like masses and radii, present prime parameters for testing our understanding of nuclear structure. Precision mass determinations at TRIUMF are carried out with the TITAN (TRIUMF's Ion Trap for Atomic and Nuclear science) system. It is an ion trap setup coupled to the on-line facility ISAC. TITAN has measured masses of isotopes as short-lived as 9 ms (almost an order of magnitude shorter-lived than any other Penning trap system) and the only one with charge breeding capabilities, a feature that allows us to boost the precision by almost 2 orders of magnitude. We recently were able to make use of this feature by measuring short-lived Rb-isotopes, up to 74Rb, and reaching the 12+ charge state, which together with other improvements lead to an increase in precision by a factor 36.

  17. Nuclear structure studies with gamma-ray beams

    DOE PAGESBeta

    Tonchev, Anton; Bhatia, Chitra; Kelley, John; Raut, Rajarshi; Rusev, Gencho; Tornow, Werner; Tsoneva, Nadia

    2015-05-28

    In stable and weakly bound neutron-rich nuclei, a resonance-like concentration of dipole states has been observed for excitation energies below the neutron-separation energy. This clustering of strong dipole states has been named the Pygmy Dipole Resonance (PDR) in contrast to the Giant Dipole Resonance (GDR) that dominates the E1 response. Understanding the PDR is presently of great interest in nuclear structure and nuclear astrophysics. High-sensitivity studies of E1 and M1 transitions in closed-shell nuclei using monoenergetic and 100% linearly-polarized photon beams are presented.

  18. Orbital transfer of large space structures with nuclear electric rockets

    NASA Technical Reports Server (NTRS)

    Silva, T. H.; Byers, D. C.

    1980-01-01

    This paper discusses the potential application of electric propulsion for orbit transfer of a large spacecraft structure from low earth orbit to geosynchronous altitude in a deployed configuration. The electric power was provided by the spacecraft nuclear reactor space power system on a shared basis during transfer operations. Factors considered with respect to system effectiveness included nuclear power source sizing, electric propulsion thruster concept, spacecraft deployment constraints, and orbital operations and safety. It is shown that the favorable total impulse capability inherent in electric propulsion provides a potential economic advantage over chemical propulsion orbit transfer vehicles by reducing the number of Space Shuttle flights in ground-to-orbit transportation requirements.

  19. Storage ring mass spectrometry for nuclear structure and astrophysics research

    NASA Astrophysics Data System (ADS)

    Zhang, Y. H.; Litvinov, Yu A.; Uesaka, T.; Xu, H. S.

    2016-07-01

    In the last two and a half decades ion storage rings have proven to be powerful tools for precision experiments with unstable nuclides in the realm of nuclear structure and astrophysics. There are presently three storage ring facilities in the world at which experiments with stored radioactive ions are possible. These are the ESR in GSI, Darmstadt/Germany, the CSRe in IMP, Lanzhou/China, and the R3 storage ring in RIKEN, Saitama/Japan. In this work, an introduction to the facilities is given. Selected characteristic experimental results and their impact in nuclear physics and astrophysics are presented. Planned technical developments and the envisioned future experiments are outlined.

  20. NUCLEAR STRUCTURE AND DECAY DATA: INTRODUCTION TO RELEVANT WEB PAGES.

    SciTech Connect

    BURROWS, T.W.; MCLAUGHLIN, P.D.; NICHOLS, A.L.

    2005-04-04

    A brief description is given of the nuclear data centers around the world able to provide access to those databases and programs of highest relevance to nuclear structure and decay data specialists. A number of Web-page addresses are also provided for the reader to inspect and investigate these data and codes for study, evaluation and calculation. These instructions are not meant to be comprehensive, but should provide the reader with a reasonable means of electronic access to the most important data sets and programs.

  1. Phase structure in a chiral model of nuclear matter

    SciTech Connect

    Phat, Tran Huu; Anh, Nguyen Tuan; Tam, Dinh Thanh

    2011-08-15

    The phase structure of symmetric nuclear matter in the extended Nambu-Jona-Lasinio (ENJL) model is studied by means of the effective potential in the one-loop approximation. It is found that chiral symmetry gets restored at high nuclear density and a typical first-order phase transition of the liquid-gas transition occurs at zero temperature, T=0, which weakens as T grows and eventually ends up with a second-order critical point at T=20 MeV. This phase transition scenario is confirmed by investigating the evolution of the effective potential versus the effective nucleon mass and the equation of state.

  2. Computational simulation of acoustic fatigue for hot composite structures

    NASA Technical Reports Server (NTRS)

    Singhal, Surendra N.; Murthy, Pappu L. N.; Chamis, Christos C.; Nagpal, Vinod K.; Sutjahjo, Edhi

    1991-01-01

    Predictive methods/computer codes for the computational simulation of acoustic fatigue resistance of hot composite structures subjected to acoustic excitation emanating from an adjacent vibrating component are discussed. Select codes developed over the past two decades at the NASA Lewis Research Center are used. The codes include computation of acoustic noise generated from a vibrating component, degradation in material properties of a composite laminate at use temperature, dynamic response of acoustically excited hot multilayered composite structure, degradation in the first ply strength of the excited structure due to acoustic loading, and acoustic fatigue resistance of the excited structure, including the propulsion environment. Effects of the laminate lay-up and environment on the acoustic fatigue life are evaluated. The results show that, by keeping the angled plies on the outer surface of the laminate, a substantial increase in the acoustic fatigue life is obtained. The effect of environment (temperature and moisture) is to relieve the residual stresses leading to an increase in the acoustic fatigue life of the excited panel.

  3. Effects of realistic tensor force on nuclear structure

    SciTech Connect

    Nakada, H.

    2012-10-20

    First-order tensor-force effects on nuclear structure are investigated in the self-consistent mean-field and RPA calculations with the M3Y-type semi-realistic interactions, which contain the realistic tensor force. The tensor force plays a key role in Z- or N-dependence of the shell structure, and in transitions involving spin degrees-of-freedom. It is demonstrated that the semi-realistic interactions successfully describe the N-dependence of the shell structure in the proton-magic nuclei (e.g. Ca and Sn), and the magnetic transitions (e.g. M1 transition in {sup 208}Pb).

  4. UNEDF: Advanced Scientific Computing Collaboration Transforms the Low-Energy Nuclear Many-Body Problem

    SciTech Connect

    Nam, H.; Stoitsov, M.; Nazarewicz, W.; Bulgac, A.; Hagen, G.; Kortelainen, M.; Maris, P.; Pei, J. C.; Roche, K. J.; Schunck, N.; Thompson, I.; Vary, J. P.; Wild, S. M.

    2012-12-20

    The demands of cutting-edge science are driving the need for larger and faster computing resources. With the rapidly growing scale of computing systems and the prospect of technologically disruptive architectures to meet these needs, scientists face the challenge of effectively using complex computational resources to advance scientific discovery. Multi-disciplinary collaborating networks of researchers with diverse scientific backgrounds are needed to address these complex challenges. The UNEDF SciDAC collaboration of nuclear theorists, applied mathematicians, and computer scientists is developing a comprehensive description of nuclei and their reactions that delivers maximum predictive power with quantified uncertainties. This paper describes UNEDF and identifies attributes that classify it as a successful computational collaboration. Finally, we illustrate significant milestones accomplished by UNEDF through integrative solutions using the most reliable theoretical approaches, most advanced algorithms, and leadership-class computational resources.

  5. Computational Methods for RNA Structure Validation and Improvement.

    PubMed

    Jain, Swati; Richardson, David C; Richardson, Jane S

    2015-01-01

    With increasing recognition of the roles RNA molecules and RNA/protein complexes play in an unexpected variety of biological processes, understanding of RNA structure-function relationships is of high current importance. To make clean biological interpretations from three-dimensional structures, it is imperative to have high-quality, accurate RNA crystal structures available, and the community has thoroughly embraced that goal. However, due to the many degrees of freedom inherent in RNA structure (especially for the backbone), it is a significant challenge to succeed in building accurate experimental models for RNA structures. This chapter describes the tools and techniques our research group and our collaborators have developed over the years to help RNA structural biologists both evaluate and achieve better accuracy. Expert analysis of large, high-resolution, quality-conscious RNA datasets provides the fundamental information that enables automated methods for robust and efficient error diagnosis in validating RNA structures at all resolutions. The even more crucial goal of correcting the diagnosed outliers has steadily developed toward highly effective, computationally based techniques. Automation enables solving complex issues in large RNA structures, but cannot circumvent the need for thoughtful examination of local details, and so we also provide some guidance for interpreting and acting on the results of current structure validation for RNA. PMID:26068742

  6. Computational Methods for Domain Partitioning of Protein Structures

    NASA Astrophysics Data System (ADS)

    Veretnik, Stella; Shindyalov, Ilya

    Analysis of protein structures typically begins with decomposition of structure into more basic units, called "structural domains". The underlying goal is to reduce a complex protein structure to a set of simpler yet structurally meaningful units, each of which can be analyzed independently. Structural semi-independence of domains is their hallmark: domains often have compact structure and can fold or function independently. Domains can undergo so-called "domain shuffling"when they reappear in different combinations in different proteins thus implementing different biological functions (Doolittle, 1995). Proteins can then be conceived as being built of such basic blocks: some, especially small proteins, consist usually of just one domain, while other proteins possess a more complex architecture containing multiple domains. Therefore, the methods for partitioning a structure into domains are of critical importance: their outcome defines the set of basic units upon which structural classifications are built and evolutionary analysis is performed. This is especially true nowadays in the era of structural genomics. Today there are many methods that decompose the structure into domains: some of them are manual (i.e., based on human judgment), others are semiautomatic, and still others are completely automatic (based on algorithms implemented as software). Overall there is a high level of consistency and robustness in the process of partitioning a structure into domains (for ˜80% of proteins); at least for structures where domain location is obvious. The picture is less bright when we consider proteins with more complex architectures—neither human experts nor computational methods can reach consistent partitioning in many such cases. This is a rather accurate reflection of biological phenomena in general since domains are formed by different mechanisms, hence it is nearly impossible to come up with a set of well-defined rules that captures all of the observed cases.

  7. Computer program for determining mass properties of a rigid structure

    NASA Technical Reports Server (NTRS)

    Hull, R. A.; Gilbert, J. L.; Klich, P. J.

    1978-01-01

    A computer program was developed for the rapid computation of the mass properties of complex structural systems. The program uses rigid body analyses and permits differences in structural material throughout the total system. It is based on the premise that complex systems can be adequately described by a combination of basic elemental shapes. Simple geometric data describing size and location of each element and the respective material density or weight of each element were the only required input data. From this minimum input, the program yields system weight, center of gravity, moments of inertia and products of inertia with respect to mutually perpendicular axes through the system center of gravity. The program also yields mass properties of the individual shapes relative to component axes.

  8. Attracting and repelling Lagrangian coherent structures from a single computation

    NASA Astrophysics Data System (ADS)

    Farazmand, Mohammad; Haller, George

    2013-06-01

    Hyperbolic Lagrangian Coherent Structures (LCSs) are locally most repelling or most attracting material surfaces in a finite-time dynamical system. To identify both types of hyperbolic LCSs at the same time instance, the standard practice has been to compute repelling LCSs from future data and attracting LCSs from past data. This approach tacitly assumes that coherent structures in the flow are fundamentally recurrent, and hence gives inconsistent results for temporally aperiodic systems. Here, we resolve this inconsistency by showing how both repelling and attracting LCSs are computable at the same time instance from a single forward or a single backward run. These LCSs are obtained as surfaces normal to the weakest and strongest eigenvectors of the Cauchy-Green strain tensor.

  9. Chemical structure representations and applications in computational toxicity.

    PubMed

    Karthikeyan, Muthukumarasamy; Vyas, Renu

    2012-01-01

    Efficient storage and retrieval of chemical structures is one of the most important prerequisite for solving any computational-based problem in life sciences. Several resources including research publications, text books, and articles are available on chemical structure representation. Chemical substances that have same molecular formula but several structural formulae, conformations, and skeleton framework/scaffold/functional groups of the molecule convey various characteristics of the molecule. Today with the aid of sophisticated mathematical models and informatics tools, it is possible to design a molecule of interest with specified characteristics based on their applications in pharmaceuticals, agrochemicals, biotechnology, nanomaterials, petrochemicals, and polymers. This chapter discusses both traditional and current state of art representation of chemical structures and their applications in chemical information management, bioactivity- and toxicity-based predictive studies. PMID:23007430

  10. Computational Methods for Structural Mechanics and Dynamics, part 1

    NASA Technical Reports Server (NTRS)

    Stroud, W. Jefferson (Editor); Housner, Jerrold M. (Editor); Tanner, John A. (Editor); Hayduk, Robert J. (Editor)

    1989-01-01

    The structural analysis methods research has several goals. One goal is to develop analysis methods that are general. This goal of generality leads naturally to finite-element methods, but the research will also include other structural analysis methods. Another goal is that the methods be amenable to error analysis; that is, given a physical problem and a mathematical model of that problem, an analyst would like to know the probable error in predicting a given response quantity. The ultimate objective is to specify the error tolerances and to use automated logic to adjust the mathematical model or solution strategy to obtain that accuracy. A third goal is to develop structural analysis methods that can exploit parallel processing computers. The structural analysis methods research will focus initially on three types of problems: local/global nonlinear stress analysis, nonlinear transient dynamics, and tire modeling.

  11. Computing a new family of shape descriptors for protein structures.

    PubMed

    Røgen, Peter; Sinclair, Robert

    2003-01-01

    The large-scale 3D structure of a protein can be represented by the polygonal curve through the carbon alpha atoms of the protein backbone. We introduce an algorithm for computing the average number of times that a given configuration of crossings on such polygonal curves is seen, the average being taken over all directions in space. Hereby, we introduce a new family of global geometric measures of protein structures, which we compare with the so-called generalized Gauss integrals. PMID:14632419

  12. Green's Function Analysis of Periodic Structures in Computational Electromagnetics

    NASA Astrophysics Data System (ADS)

    Van Orden, Derek

    2011-12-01

    Periodic structures are used widely in electromagnetic devices, including filters, waveguiding structures, and antennas. Their electromagnetic properties may be analyzed computationally by solving an integral equation, in which an unknown equivalent current distribution in a single unit cell is convolved with a periodic Green's function that accounts for the system's boundary conditions. Fast computation of the periodic Green's function is therefore essential to achieve high accuracy solutions of complicated periodic structures, including analysis of modal wave propagation and scattering from external sources. This dissertation first presents alternative spectral representations of the periodic Green's function of the Helmholtz equation for cases of linear periodic systems in 2D and 3D free space and near planarly layered media. Although there exist multiple representations of the periodic Green's function, most are not efficient in the important case where the fields are observed near the array axis. We present spectral-spatial representations for rapid calculation of the periodic Green's functions for linear periodic arrays of current sources residing in free space as well as near a planarly layered medium. They are based on the integral expansion of the periodic Green's functions in terms of the spectral parameters transverse to the array axis. These schemes are important for the rapid computation of the interaction among unit cells of a periodic array, and, by extension, the complex dispersion relations of guided waves. Extensions of this approach to planar periodic structures are discussed. With these computation tools established, we study the traveling wave properties of linear resonant arrays placed near surfaces, and examine the coupling mechanisms that lead to radiation into guided waves supported by the surface. This behavior is especially important to understand the properties of periodic structures printed on dielectric substrates, such as periodic

  13. Tracking Non-rigid Structures in Computer Simulations

    SciTech Connect

    Gezahegne, A; Kamath, C

    2008-01-10

    A key challenge in tracking moving objects is the correspondence problem, that is, the correct propagation of object labels from one time step to another. This is especially true when the objects are non-rigid structures, changing shape, and merging and splitting over time. In this work, we describe a general approach to tracking thousands of non-rigid structures in an image sequence. We show how we can minimize memory requirements and generate accurate results while working with only two frames of the sequence at a time. We demonstrate our results using data from computer simulations of a fluimix problem.

  14. Crystal Structure of the Herpesvirus Nuclear Egress Complex Provides Insights into Inner Nuclear Membrane Remodeling

    PubMed Central

    Zeev-Ben-Mordehai, Tzviya; Weberruß, Marion; Lorenz, Michael; Cheleski, Juliana; Hellberg, Teresa; Whittle, Cathy; El Omari, Kamel; Vasishtan, Daven; Dent, Kyle C.; Harlos, Karl; Franzke, Kati; Hagen, Christoph; Klupp, Barbara G.; Antonin, Wolfram; Mettenleiter, Thomas C.; Grünewald, Kay

    2015-01-01

    Summary Although nucleo-cytoplasmic transport is typically mediated through nuclear pore complexes, herpesvirus capsids exit the nucleus via a unique vesicular pathway. Together, the conserved herpesvirus proteins pUL31 and pUL34 form the heterodimeric nuclear egress complex (NEC), which, in turn, mediates the formation of tight-fitting membrane vesicles around capsids at the inner nuclear membrane. Here, we present the crystal structure of the pseudorabies virus NEC. The structure revealed that a zinc finger motif in pUL31 and an extensive interaction network between the two proteins stabilize the complex. Comprehensive mutational analyses, characterized both in situ and in vitro, indicated that the interaction network is not redundant but rather complementary. Fitting of the NEC crystal structure into the recently determined cryoEM-derived hexagonal lattice, formed in situ by pUL31 and pUL34, provided details on the molecular basis of NEC coat formation and inner nuclear membrane remodeling. PMID:26711332

  15. Experimental and computational investigation of flow of pebbles in a pebble bed nuclear reactor

    NASA Astrophysics Data System (ADS)

    Khane, Vaibhav B.

    The Pebble Bed Reactor (PBR) is a 4th generation nuclear reactor which is conceptually similar to moving bed reactors used in the chemical and petrochemical industries. In a PBR core, nuclear fuel in the form of pebbles moves slowly under the influence of gravity. Due to the dynamic nature of the core, a thorough understanding about slow and dense granular flow of pebbles is required from both a reactor safety and performance evaluation point of view. In this dissertation, a new integrated experimental and computational study of granular flow in a PBR has been performed. Continuous pebble re-circulation experimental set-up, mimicking flow of pebbles in a PBR, is designed and developed. Experimental investigation of the flow of pebbles in a mimicked test reactor was carried out for the first time using non-invasive radioactive particle tracking (RPT) and residence time distribution (RTD) techniques to measure the pebble trajectory, velocity, overall/zonal residence times, flow patterns etc. The tracer trajectory length and overall/zonal residence time is found to increase with change in pebble's initial seeding position from the center towards the wall of the test reactor. Overall and zonal average velocities of pebbles are found to decrease from the center towards the wall. Discrete element method (DEM) based simulations of test reactor geometry were also carried out using commercial code EDEM(TM) and simulation results were validated using the obtained benchmark experimental data. In addition, EDEM(TM) based parametric sensitivity study of interaction properties was carried out which suggests that static friction characteristics play an important role from a packed/pebble beds structural characterization point of view. To make the RPT technique viable for practical applications and to enhance its accuracy, a novel and dynamic technique for RPT calibration was designed and developed. Preliminary feasibility results suggest that it can be implemented as a non

  16. Unified ab initio approaches to nuclear structure and reactions

    NASA Astrophysics Data System (ADS)

    Navrátil, Petr; Quaglioni, Sofia; Hupin, Guillaume; Romero-Redondo, Carolina; Calci, Angelo

    2016-05-01

    The description of nuclei starting from the constituent nucleons and the realistic interactions among them has been a long-standing goal in nuclear physics. In addition to the complex nature of the nuclear forces, with two-, three- and possibly higher many-nucleon components, one faces the quantum-mechanical many-nucleon problem governed by an interplay between bound and continuum states. In recent years, significant progress has been made in ab initio nuclear structure and reaction calculations based on input from QCD-employing Hamiltonians constructed within chiral effective field theory. After a brief overview of the field, we focus on ab initio many-body approaches—built upon the no-core shell model—that are capable of simultaneously describing both bound and scattering nuclear states, and present results for resonances in light nuclei, reactions important for astrophysics and fusion research. In particular, we review recent calculations of resonances in the 6He halo nucleus, of five- and six-nucleon scattering, and an investigation of the role of chiral three-nucleon interactions in the structure of 9Be. Further, we discuss applications to the 7Be {({{p}},γ )}8{{B}} radiative capture. Finally, we highlight our efforts to describe transfer reactions including the 3H{({{d}},{{n}})}4He fusion.

  17. Studying the Effects of Nuclear Weapons Using a Slide-Rule Computer

    ERIC Educational Resources Information Center

    Shastri, Ananda

    2007-01-01

    This paper describes the construction of a slide-rule computer that allows one to quickly determine magnitudes of several effects that result from the detonation of a nuclear device. Suggestions for exercises are also included that allow high school and college-level physics students to explore scenarios involving these effects. It is hoped that…

  18. In situ structural analysis of the human nuclear pore complex

    PubMed Central

    Ori, Alessandro; DiGuilio, Amanda L.; Vollmer, Benjamin; Mackmull, Marie-Therese; Banterle, Niccolo; Parca, Luca; Kastritis, Panagiotis; Buczak, Katarzyna; Mosalaganti, Shyamal; Hagen, Wim; Andres-Pons, Amparo; Lemke, Edward A.; Bork, Peer; Antonin, Wolfram; Glavy, Joseph S.; Bui, Khanh Huy; Beck, Martin

    2016-01-01

    Summary Nuclear pore complexes (NPCs) are fundamental components of all eukaryotic cells that mediate nucleocytoplasmic exchange. Elucidating their 110 MDa structure imposes a formidable challenge and requires in situ structural biology approaches. Fifteen out of about thirty nucleoporins (Nups) are structured and form the Y- and inner ring complexes. These two major scaffolding modules assemble in multiple copies into an eight-fold rotationally symmetric structure that fuses the inner and outer nuclear membranes to form a central channel of ∼60 nm in diameter 1. The scaffold is decorated with transport channel Nups that often contain phenylalanine (FG)-repeat sequences and mediate the interaction with cargo complexes. Although the architectural arrangement of parts of the Y-complex has been elucidated, it is unclear how exactly it oligomerizes in situ. Here, we combined cryo electron tomography with mass spectrometry, biochemical analysis, perturbation experiments and structural modeling to generate the most comprehensive architectural model of the NPC to date. Our data suggest previously unknown protein interfaces across Y-complexes and to inner ring complex members. We demonstrate that the higher eukaryotic transport channel Nup358 (RanBP2) has a previously unanticipated role in Y-complex oligomerization. Our findings blur the established boundaries between scaffold and transport channel Nups. We conclude that, similarly to coated vesicles, multiple copies of the same structural building block - although compositionally identical - engage in different local sets of interactions and conformations. PMID:26416747

  19. OVERVIEW OF DEVELOPMENT OF P-CARES: PROBABILISTIC COMPUTER ANALYSIS FOR RAPID EVALUATION OF STRUCTURES.

    SciTech Connect

    NIE,J.; XU, J.; COSTANTINO, C.; THOMAS, V.

    2007-08-01

    Brookhaven National Laboratory (BNL) undertook an effort to revise the CARES (Computer Analysis for Rapid Evaluation of Structures) program under the auspices of the US Nuclear Regulatory Commission (NRC). The CARES program provided the NRC staff a capability to quickly check the validity and/or accuracy of the soil-structure interaction (SSI) models and associated data received from various applicants. The aim of the current revision was to implement various probabilistic simulation algorithms in CARES (referred hereinafter as P-CARES [1]) for performing the probabilistic site response and soil-structure interaction (SSI) analyses. This paper provides an overview of the development process of P-CARES, including the various probabilistic simulation techniques used to incorporate the effect of site soil uncertainties into the seismic site response and SSI analyses and an improved graphical user interface (GUI).

  20. Computational tools for experimental determination and theoretical prediction of protein structure

    SciTech Connect

    O`Donoghue, S.; Rost, B.

    1995-12-31

    This tutorial was one of eight tutorials selected to be presented at the Third International Conference on Intelligent Systems for Molecular Biology which was held in the United Kingdom from July 16 to 19, 1995. The authors intend to review the state of the art in the experimental determination of protein 3D structure (focus on nuclear magnetic resonance), and in the theoretical prediction of protein function and of protein structure in 1D, 2D and 3D from sequence. All the atomic resolution structures determined so far have been derived from either X-ray crystallography (the majority so far) or Nuclear Magnetic Resonance (NMR) Spectroscopy (becoming increasingly more important). The authors briefly describe the physical methods behind both of these techniques; the major computational methods involved will be covered in some detail. They highlight parallels and differences between the methods, and also the current limitations. Special emphasis will be given to techniques which have application to ab initio structure prediction. Large scale sequencing techniques increase the gap between the number of known proteins sequences and that of known protein structures. They describe the scope and principles of methods that contribute successfully to closing that gap. Emphasis will be given on the specification of adequate testing procedures to validate such methods.

  1. Remote sensing of vegetation structure using computer vision

    NASA Astrophysics Data System (ADS)

    Dandois, Jonathan P.

    High-spatial resolution measurements of vegetation structure are needed for improving understanding of ecosystem carbon, water and nutrient dynamics, the response of ecosystems to a changing climate, and for biodiversity mapping and conservation, among many research areas. Our ability to make such measurements has been greatly enhanced by continuing developments in remote sensing technology---allowing researchers the ability to measure numerous forest traits at varying spatial and temporal scales and over large spatial extents with minimal to no field work, which is costly for large spatial areas or logistically difficult in some locations. Despite these advances, there remain several research challenges related to the methods by which three-dimensional (3D) and spectral datasets are joined (remote sensing fusion) and the availability and portability of systems for frequent data collections at small scale sampling locations. Recent advances in the areas of computer vision structure from motion (SFM) and consumer unmanned aerial systems (UAS) offer the potential to address these challenges by enabling repeatable measurements of vegetation structural and spectral traits at the scale of individual trees. However, the potential advances offered by computer vision remote sensing also present unique challenges and questions that need to be addressed before this approach can be used to improve understanding of forest ecosystems. For computer vision remote sensing to be a valuable tool for studying forests, bounding information about the characteristics of the data produced by the system will help researchers understand and interpret results in the context of the forest being studied and of other remote sensing techniques. This research advances understanding of how forest canopy and tree 3D structure and color are accurately measured by a relatively low-cost and portable computer vision personal remote sensing system: 'Ecosynth'. Recommendations are made for optimal

  2. Ab initio nuclear structure from lattice effective field theory

    SciTech Connect

    Lee, Dean

    2014-11-11

    This proceedings article reviews recent results by the Nuclear Lattice EFT Collaboration on an excited state of the {sup 12}C nucleus known as the Hoyle state. The Hoyle state plays a key role in the production of carbon via the triple-alpha reaction in red giant stars. We discuss the structure of low-lying states of {sup 12}C as well as the dependence of the triple-alpha reaction on the masses of the light quarks.

  3. Recent advances in computational structural reliability analysis methods

    NASA Technical Reports Server (NTRS)

    Thacker, Ben H.; Wu, Y.-T.; Millwater, Harry R.; Torng, Tony Y.; Riha, David S.

    1993-01-01

    The goal of structural reliability analysis is to determine the probability that the structure will adequately perform its intended function when operating under the given environmental conditions. Thus, the notion of reliability admits the possibility of failure. Given the fact that many different modes of failure are usually possible, achievement of this goal is a formidable task, especially for large, complex structural systems. The traditional (deterministic) design methodology attempts to assure reliability by the application of safety factors and conservative assumptions. However, the safety factor approach lacks a quantitative basis in that the level of reliability is never known and usually results in overly conservative designs because of compounding conservatisms. Furthermore, problem parameters that control the reliability are not identified, nor their importance evaluated. A summary of recent advances in computational structural reliability assessment is presented. A significant level of activity in the research and development community was seen recently, much of which was directed towards the prediction of failure probabilities for single mode failures. The focus is to present some early results and demonstrations of advanced reliability methods applied to structural system problems. This includes structures that can fail as a result of multiple component failures (e.g., a redundant truss), or structural components that may fail due to multiple interacting failure modes (e.g., excessive deflection, resonate vibration, or creep rupture). From these results, some observations and recommendations are made with regard to future research needs.

  4. Computational simulation of acoustic fatigue for hot composite structures

    NASA Technical Reports Server (NTRS)

    Singhal, S. N.; Nagpal, V. K.; Murthy, P. L. N.; Chamis, C. C.

    1991-01-01

    This paper presents predictive methods/codes for computational simulation of acoustic fatigue resistance of hot composite structures subjected to acoustic excitation emanating from an adjacent vibrating component. Select codes developed over the past two decades at the NASA Lewis Research Center are used. The codes include computation of (1) acoustic noise generated from a vibrating component, (2) degradation in material properties of the composite laminate at use temperature, (3) dynamic response of acoustically excited hot multilayered composite structure, (4) degradation in the first-ply strength of the excited structure due to acoustic loading, and (5) acoustic fatigue resistance of the excited structure, including propulsion environment. Effects of the laminate lay-up and environment on the acoustic fatigue life are evaluated. The results show that, by keeping the angled plies on the outer surface of the laminate, a substantial increase in the acoustic fatigue life is obtained. The effect of environment (temperature and moisure) is to relieve the residual stresses leading to an increase in the acoustic fatigue life of the excited panel.

  5. Experimental and computational studies of thermal mixing in next generation nuclear reactors

    NASA Astrophysics Data System (ADS)

    Landfried, Douglas Tyler

    The Very High Temperature Reactor (VHTR) is a proposed next generation nuclear power plant. The VHTR utilizes helium as a coolant in the primary loop of the reactor. Helium traveling through the reactor mixes below the reactor in a region known as the lower plenum. In this region there exists large temperature and velocity gradients due to non-uniform heat generation in the reactor core. Due to these large gradients, concern should be given to reducing thermal striping in the lower plenum. Thermal striping is the phenomena by which temperature fluctuations in the fluid and transferred to and attenuated by surrounding structures. Thermal striping is a known cause of long term material failure. To better understand and predict thermal striping in the lower plenum two separate bodies of work have been conducted. First, an experimental facility capable of predictably recreating some aspects of flow in the lower plenum is designed according to scaling analysis of the VHTR. Namely the facility reproduces jets issuing into a crossflow past a tube bundle. Secondly, extensive studies investigate the mixing of a non-isothermal parallel round triple-jet at two jet-to-jet spacings was conducted. Experimental results were validation with an open source computational fluid dynamics package, OpenFOAMRTM. Additional care is given to understanding the implementation of the realizable k-a and Launder Gibson RSM turbulence Models in OpenFOAMRTM. In order to measure velocity and temperature in the triple-jet experiment a detailed investigation of temperature compensated hotwire anemometry is carried out with special concern being given to quantify the error with the measurements. Finally qualitative comparisons of trends in the experimental results and the computational results is conducted. A new and unexpected physical behavior was observed in the center jet as it appeared to spread unexpectedly for close spacings (S/Djet = 1.41).

  6. Structure, spectra and antioxidant action of ascorbic acid studied by density functional theory, Raman spectroscopic and nuclear magnetic resonance techniques

    NASA Astrophysics Data System (ADS)

    Singh, Gurpreet; Mohanty, B. P.; Saini, G. S. S.

    2016-02-01

    Structure, vibrational and nuclear magnetic resonance spectra, and antioxidant action of ascorbic acid towards hydroxyl radicals have been studied computationally and in vitro by ultraviolet-visible, nuclear magnetic resonance and vibrational spectroscopic techniques. Time dependant density functional theory calculations have been employed to specify various electronic transitions in ultraviolet-visible spectra. Observed chemical shifts and vibrational bands in nuclear magnetic resonance and vibrational spectra, respectively have been assigned with the help of calculations. Changes in the structure of ascorbic acid in aqueous phase have been examined computationally and experimentally by recording Raman spectra in aqueous medium. Theoretical calculations of the interaction between ascorbic acid molecule and hydroxyl radical predicted the formation of dehydroascorbic acid as first product, which has been confirmed by comparing its simulated spectra with the corresponding spectra of ascorbic acid in presence of hydrogen peroxide.

  7. Structural organization of nuclear lamins A, C, B1, and B2 revealed by superresolution microscopy

    PubMed Central

    Shimi, Takeshi; Kittisopikul, Mark; Tran, Joseph; Goldman, Anne E.; Adam, Stephen A.; Zheng, Yixian; Jaqaman, Khuloud; Goldman, Robert D.

    2015-01-01

    The nuclear lamina is a key structural element of the metazoan nucleus. However, the structural organization of the major proteins composing the lamina is poorly defined. Using three-dimensional structured illumination microscopy and computational image analysis, we characterized the supramolecular structures of lamin A, C, B1, and B2 in mouse embryo fibroblast nuclei. Each isoform forms a distinct fiber meshwork, with comparable physical characteristics with respect to mesh edge length, mesh face area and shape, and edge connectivity to form faces. Some differences were found in face areas among isoforms due to variation in the edge lengths and number of edges per face, suggesting that each meshwork has somewhat unique assembly characteristics. In fibroblasts null for the expression of either lamins A/C or lamin B1, the remaining lamin meshworks are altered compared with the lamin meshworks in wild-type nuclei or nuclei lacking lamin B2. Nuclei lacking LA/C exhibit slightly enlarged meshwork faces and some shape changes, whereas LB1-deficient nuclei exhibit primarily a substantial increase in face area. These studies demonstrate that individual lamin isoforms assemble into complex networks within the nuclear lamina and that A- and B-type lamins have distinct roles in maintaining the organization of the nuclear lamina. PMID:26310440

  8. Nuclear structure of 122-134Ba in IBM-1

    NASA Astrophysics Data System (ADS)

    Gupta, J. B.

    2015-04-01

    The nuclear level structures of 122-134 Ba isotopes have been studied empirically in relation to the analytic symmetries of the interacting boson model IBM-1 and in the calculation of the IBM-1 Hamiltonian. Comparison is made with experiment and with the microscopic dynamic pairing plus quadrupole model predictions available from our previous studies. The variation of the structure of states in the 22 + bands and of the 0{2,3/+} bands, with neutron number N, have been studied. Relation of odd-even spin staggering in the 22 + bands with the β-softness is illustrated. A comparison is made with predictions of the various analytical symmetries.

  9. 78 FR 47011 - Software Unit Testing for Digital Computer Software Used in Safety Systems of Nuclear Power Plants

    Federal Register 2010, 2011, 2012, 2013, 2014

    2013-08-02

    ... identification as Draft Regulatory Guide, DG-1208 on August 22, 2012 (77 FR 50722) for a 60-day public comment... COMMISSION Software Unit Testing for Digital Computer Software Used in Safety Systems of Nuclear Power Plants..., ``Software Unit Testing for Digital Computer Software Used in Safety Systems of Nuclear Power Plants.''...

  10. 78 FR 47805 - Test Documentation for Digital Computer Software Used in Safety Systems of Nuclear Power Plants

    Federal Register 2010, 2011, 2012, 2013, 2014

    2013-08-06

    ... issued with a temporary identification as Draft Regulatory Guide, DG-1207 on August 22, 2012 (77 FR 50720... COMMISSION Test Documentation for Digital Computer Software Used in Safety Systems of Nuclear Power Plants..., ``Test Documentation for Digital Computer Software Used in Safety Systems of Nuclear Power Plants.''...

  11. The harmony between nuclear reactions and nuclear reactor structures and systems

    SciTech Connect

    Popa-Simil, L.

    2012-07-01

    Advanced nuclear energy is one extremely viable approach for achieving the required goals. With its extraordinarily high energy density (both, per unit mass and per unit volume), it produces over seven orders of magnitude less waste than fossil fuels per unit of energy generated. Applying nano-technologies to nuclear reactors could potentially produce the extraordinary performance required. The actual nuclear reactors lack of performances, the complexity and hazard of the fuel cycle are in part due to the lack of understanding of the nature's laws related to energy distribution applied to fission products, and in part to the current technologic capabilities that make the economical optimum. In order to produce the desired increase of performances a novel multi-scale multi-physics and engineering approach have been developed, starting from the nuclear reactions involved, analyzing in detail the key features and requirements of the 'key players' in the process (neutrons, compound nucleus, fission products, transmutation products, decay radiation), the consequences of their interaction with matter. That complex interaction generates new reactions and new key-players (knock-on electrons, photons, phonons) that further interact with the matter represented by the nuclear fuel, cladding, cooling agents, structural materials and control systems. The understanding of this complexity of problems from fm-ps scale up to macro-system and mitigating all the requirements drives to that desired harmony that provides a safe energy delivery. (authors)

  12. Computational and theoretical aspects of biomolecular structure and dynamics

    SciTech Connect

    Garcia, A.E.; Berendzen, J.; Catasti, P., Chen, X.

    1996-09-01

    This is the final report for a project that sought to evaluate and develop theoretical, and computational bases for designing, performing, and analyzing experimental studies in structural biology. Simulations of large biomolecular systems in solution, hydrophobic interactions, and quantum chemical calculations for large systems have been performed. We have developed a code that implements the Fast Multipole Algorithm (FMA) that scales linearly in the number of particles simulated in a large system. New methods have been developed for the analysis of multidimensional NMR data in order to obtain high resolution atomic structures. These methods have been applied to the study of DNA sequences in the human centromere, sequences linked to genetic diseases, and the dynamics and structure of myoglobin.

  13. Global tree network for computing structures enabling global processing operations

    DOEpatents

    Blumrich; Matthias A.; Chen, Dong; Coteus, Paul W.; Gara, Alan G.; Giampapa, Mark E.; Heidelberger, Philip; Hoenicke, Dirk; Steinmacher-Burow, Burkhard D.; Takken, Todd E.; Vranas, Pavlos M.

    2010-01-19

    A system and method for enabling high-speed, low-latency global tree network communications among processing nodes interconnected according to a tree network structure. The global tree network enables collective reduction operations to be performed during parallel algorithm operations executing in a computer structure having a plurality of the interconnected processing nodes. Router devices are included that interconnect the nodes of the tree via links to facilitate performance of low-latency global processing operations at nodes of the virtual tree and sub-tree structures. The global operations performed include one or more of: broadcast operations downstream from a root node to leaf nodes of a virtual tree, reduction operations upstream from leaf nodes to the root node in the virtual tree, and point-to-point message passing from any node to the root node. The global tree network is configurable to provide global barrier and interrupt functionality in asynchronous or synchronized manner, and, is physically and logically partitionable.

  14. Software innovations in computed tomography for structural heart disease interventions.

    PubMed

    Hell, Michaela; Marwan, Mohamed; Gaede, Luise; Achenbach, Stephan

    2016-05-17

    Computed tomography (CT) provides high, isotropic spatial resolution and has become firmly established in pre-procedural imaging for structural heart disease interventions. It allows determination of the exact dimensions of the target structure, provides information regarding the access route and permits identification of fluoroscopic projection angles to provide optimal visualisation for device placement. Several software solutions are available and have been systematically evaluated in the context of transcatheter aortic valve implantation (TAVI). The use of software products to perform automated measurements can be useful, especially when the experience and expertise regarding evaluation of CT in the context of structural heart disease are limited. In scientific studies, software has been demonstrated to provide accurate support for annulus sizing and prosthesis selection, to aid in reliably identifying patients in whom a transfemoral access may be problematic, and to suggest suitable angulations for fluoroscopic imaging to achieve an orthogonal view onto the aortic valve during implantation. PMID:27174116

  15. Computation of Thermodynamic Equilibria Pertinent to Nuclear Materials in Multi-Physics Codes

    NASA Astrophysics Data System (ADS)

    Piro, Markus Hans Alexander

    Nuclear energy plays a vital role in supporting electrical needs and fulfilling commitments to reduce greenhouse gas emissions. Research is a continuing necessity to improve the predictive capabilities of fuel behaviour in order to reduce costs and to meet increasingly stringent safety requirements by the regulator. Moreover, a renewed interest in nuclear energy has given rise to a "nuclear renaissance" and the necessity to design the next generation of reactors. In support of this goal, significant research efforts have been dedicated to the advancement of numerical modelling and computational tools in simulating various physical and chemical phenomena associated with nuclear fuel behaviour. This undertaking in effect is collecting the experience and observations of a past generation of nuclear engineers and scientists in a meaningful way for future design purposes. There is an increasing desire to integrate thermodynamic computations directly into multi-physics nuclear fuel performance and safety codes. A new equilibrium thermodynamic solver is being developed with this matter as a primary objective. This solver is intended to provide thermodynamic material properties and boundary conditions for continuum transport calculations. There are several concerns with the use of existing commercial thermodynamic codes: computational performance; limited capabilities in handling large multi-component systems of interest to the nuclear industry; convenient incorporation into other codes with quality assurance considerations; and, licensing entanglements associated with code distribution. The development of this software in this research is aimed at addressing all of these concerns. The approach taken in this work exploits fundamental principles of equilibrium thermodynamics to simplify the numerical optimization equations. In brief, the chemical potentials of all species and phases in the system are constrained by estimates of the chemical potentials of the system

  16. Evaluated Nuclear Structure Data File (ENSDF) from the National Nuclear Data Center (NNDC)

    DOE Data Explorer

    ENSDF contains evaluated nuclear structure and decay data in a standard format. An international network of evaluators contributes to the database, which is maintained by the National Nuclear Data Center at Brookhaven National Laboratory. Information in the database is regularly updated to reflect revised evaluation results. Most of the recently completed evaluations are published in Nuclear Data Sheets, a monthly journal published by Academic Press, a division of Elsevier Science. For each nuclide, all known experimental data used to deduce nuclear structure information are included. Each type of experiment is presented as a separate dataset. In addition, there is a dataset of "adopted" level and gamma-ray transition properties, which represent the evaluator's determination of the best values for these properties, based on all available experimental data. As of February 2008, the ENSDF database contains 16236 datasets for 3030 nuclides. (Taken from the NNDC's information page on ENSDF at http://www.nndc.bnl.gov/ensdf/ensdf_info.jsp) ENSDF may be browsed or the data may be retrieved based on nuclide, charge, or mass, or by indexed reaction and decay quantities. (Specialized interface)

  17. Computation of records of streamflow at control structures

    USGS Publications Warehouse

    Collins, Dannie L.

    1977-01-01

    Traditional methods of computing streamflow records on large, low-gradient streams require a continuous record of water-surface slope over a natural channel reach. This slope must be of sufficient magnitude to be accuratly measured with available stage measuring devices. On highly regulated streams, this slope approaches zero during periods of low flow and accurate measurement is difficult. Methods are described to calibrate multipurpose regulating control structures to more accurately compute streamflow records on highly-regulated streams. Hydraulic theory, assuming steady, uniform flow during a computational interval, is described for five different types of flow control. The controls are: Tainter gates, hydraulic turbines, fixed spillways, navigation locks, and crest gates. Detailed calibration procedures are described for the five different controls as well as for several flow regimes for some of the controls. The instrumentation package and computer programs necessary to collect and process the field data are discussed. Two typical calibration procedures and measurement data are presented to illustrate the accuracy of the methods. (Woodard-USGS)

  18. Mathematical analysis of compressive/tensile molecular and nuclear structures

    NASA Astrophysics Data System (ADS)

    Wang, Dayu

    Mathematical analysis in chemistry is a fascinating and critical tool to explain experimental observations. In this dissertation, mathematical methods to present chemical bonding and other structures for many-particle systems are discussed at different levels (molecular, atomic, and nuclear). First, the tetrahedral geometry of single, double, or triple carbon-carbon bonds gives an unsatisfying demonstration of bond lengths, compared to experimental trends. To correct this, Platonic solids and Archimedean solids were evaluated as atoms in covalent carbon or nitrogen bond systems in order to find the best solids for geometric fitting. Pentagonal solids, e.g. the dodecahedron and icosidodecahedron, give the best fit with experimental bond lengths; an ideal pyramidal solid which models covalent bonds was also generated. Second, the macroscopic compression/tension architectural approach was applied to forces at the molecular level, considering atomic interactions as compressive (repulsive) and tensile (attractive) forces. Two particle interactions were considered, followed by a model of the dihydrogen molecule (H2; two protons and two electrons). Dihydrogen was evaluated as two different types of compression/tension structures: a coaxial spring model and a ring model. Using similar methods, covalent diatomic molecules (made up of C, N, O, or F) were evaluated. Finally, the compression/tension model was extended to the nuclear level, based on the observation that nuclei with certain numbers of protons/neutrons (magic numbers) have extra stability compared to other nucleon ratios. A hollow spherical model was developed that combines elements of the classic nuclear shell model and liquid drop model. Nuclear structure and the trend of the "island of stability" for the current and extended periodic table were studied.

  19. NML computation algorithms for tree-structured multinomial Bayesian networks.

    PubMed

    Kontkanen, Petri; Wettig, Hannes; Myllymäki, Petri

    2007-01-01

    Typical problems in bioinformatics involve large discrete datasets. Therefore, in order to apply statistical methods in such domains, it is important to develop efficient algorithms suitable for discrete data. The minimum description length (MDL) principle is a theoretically well-founded, general framework for performing statistical inference. The mathematical formalization of MDL is based on the normalized maximum likelihood (NML) distribution, which has several desirable theoretical properties. In the case of discrete data, straightforward computation of the NML distribution requires exponential time with respect to the sample size, since the definition involves a sum over all the possible data samples of a fixed size. In this paper, we first review some existing algorithms for efficient NML computation in the case of multinomial and naive Bayes model families. Then we proceed by extending these algorithms to more complex, tree-structured Bayesian networks. PMID:18382603

  20. Computational modelling of cohesive cracks in material structures

    NASA Astrophysics Data System (ADS)

    Vala, J.; Jarošová, P.

    2016-06-01

    Analysis of crack formation, considered as the creation of new surfaces in a material sample due to its microstructure, leads to nontrivial physical, mathematical and computational difficulties even in the rather simple case of quasistatic cohesive zone modelling inside the linear elastic theory. However, quantitative results from such evaluations are required in practice for the development and design of advanced materials, structures and technologies. Although most available software tools apply ad hoc computational predictions, this paper presents the proper formulation of such model problem, including its verification, and sketches the more-scale construction of finite-dimensional approximation of solutions, utilizing the finite element or similar techniques, together with references to original simulations results from engineering practice.

  1. Computational aspects of sensitivity calculations in linear transient structural analysis

    NASA Technical Reports Server (NTRS)

    Greene, W. H.; Haftka, R. T.

    1991-01-01

    The calculation of sensitivities of displacements, velocities, accelerations, and stresses in linear, structural, and transient response problems is studied. Several existing sensitivity calculation methods and two new methods are compared for three example problems. Approximation vectors such as vibration mode shapes are used to reduce the dimensionality of the finite model. To be computationally practical in large-order problems, the overall finite difference methods must use the approximation vectors from the original design in the analyses of the perturbed models. This was found to result in poor convergence of stress sensitivities in several cases. Two semianalytical techniques are developed to overcome this poor convergence. Both new methods result in very good convergence of the stress sensitivities; the computational cost is much less than would result if the vibration modes were recalculated and then used in an overall finite difference method.

  2. Computational methods for efficient structural reliability and reliability sensitivity analysis

    NASA Technical Reports Server (NTRS)

    Wu, Y.-T.

    1993-01-01

    This paper presents recent developments in efficient structural reliability analysis methods. The paper proposes an efficient, adaptive importance sampling (AIS) method that can be used to compute reliability and reliability sensitivities. The AIS approach uses a sampling density that is proportional to the joint PDF of the random variables. Starting from an initial approximate failure domain, sampling proceeds adaptively and incrementally with the goal of reaching a sampling domain that is slightly greater than the failure domain to minimize over-sampling in the safe region. Several reliability sensitivity coefficients are proposed that can be computed directly and easily from the above AIS-based failure points. These probability sensitivities can be used for identifying key random variables and for adjusting design to achieve reliability-based objectives. The proposed AIS methodology is demonstrated using a turbine blade reliability analysis problem.

  3. Crowdsourcing RNA structural alignments with an online computer game.

    PubMed

    Waldispühl, Jérôme; Kam, Arthur; Gardner, Paul P

    2015-01-01

    The annotation and classification of ncRNAs is essential to decipher molecular mechanisms of gene regulation in normal and disease states. A database such as Rfam maintains alignments, consensus secondary structures, and corresponding annotations for RNA families. Its primary purpose is the automated, accurate annotation of non-coding RNAs in genomic sequences. However, the alignment of RNAs is computationally challenging, and the data stored in this database are often subject to improvements. Here, we design and evaluate Ribo, a human-computing game that aims to improve the accuracy of RNA alignments already stored in Rfam. We demonstrate the potential of our techniques and discuss the feasibility of large scale collaborative annotation and classification of RNA families. PMID:25592593

  4. Research in nondestructive evaluation techniques for nuclear reactor concrete structures

    SciTech Connect

    Clayton, Dwight; Smith, Cyrus

    2014-02-18

    The purpose of the Materials Aging and Degradation (MAaD) Pathway of the Department of Energy's Light Water Reactor Sustainability (LWRS) Program is to develop the scientific basis for understanding and predicting longterm environmental degradation behavior of material in nuclear power plants and to provide data and methods to assess the performance of systems, structures, and components (SSCs) essential to safe and sustained nuclear power plant operations. The understanding of aging-related phenomena and their impacts on SSCs is expected to be a significant issue for any nuclear power plant planning for long-term operations (i.e. service beyond the initial license renewal period). Management of those phenomena and their impacts during long-term operations can be better enable by improved methods and techniques for detection, monitoring, and prediction of SSC degradation. The MAaD Pathway R and D Roadmap for Concrete, 'Light Water Reactor Sustainability Nondestructive Evaluation for Concrete Research and Development Roadmap', focused initial research efforts on understanding the recent concrete issues at nuclear power plants and identifying the availability of concrete samples for NDE techniques evaluation and testing. [1] An overview of the research performed by ORNL in these two areas is presented here.

  5. Research in nondestructive evaluation techniques for nuclear reactor concrete structures

    NASA Astrophysics Data System (ADS)

    Clayton, Dwight; Smith, Cyrus

    2014-02-01

    The purpose of the Materials Aging and Degradation (MAaD) Pathway of the Department of Energy's Light Water Reactor Sustainability (LWRS) Program is to develop the scientific basis for understanding and predicting longterm environmental degradation behavior of material in nuclear power plants and to provide data and methods to assess the performance of systems, structures, and components (SSCs) essential to safe and sustained nuclear power plant operations. The understanding of aging-related phenomena and their impacts on SSCs is expected to be a significant issue for any nuclear power plant planning for long-term operations (i.e. service beyond the initial license renewal period). Management of those phenomena and their impacts during long-term operations can be better enable by improved methods and techniques for detection, monitoring, and prediction of SSC degradation. The MAaD Pathway R&D Roadmap for Concrete, "Light Water Reactor Sustainability Nondestructive Evaluation for Concrete Research and Development Roadmap", focused initial research efforts on understanding the recent concrete issues at nuclear power plants and identifying the availability of concrete samples for NDE techniques evaluation and testing. [1] An overview of the research performed by ORNL in these two areas is presented here.

  6. PREFACE: International Conference on Computing in High Energy and Nuclear Physics (CHEP'07)

    NASA Astrophysics Data System (ADS)

    Sobie, Randall; Tafirout, Reda; Thomson, Jana

    2007-07-01

    The 2007 International Conference on Computing in High Energy and Nuclear Physics (CHEP) was held on 2-7 September 2007 in Victoria, British Columbia, Canada. CHEP is a major series of international conferences for physicists and computing professionals from the High Energy and Nuclear Physics community, Computer Science and Information Technology. The CHEP conference provides an international forum to exchange information on computing experience and needs for the community, and to review recent, ongoing, and future activities. The CHEP'07 conference had close to 500 attendees with a program that included plenary sessions of invited oral presentations, a number of parallel sessions comprising oral and poster presentations, and an industrial exhibition. Conference tracks covered topics in Online Computing, Event Processing, Software Components, Tools and Databases, Software Tools and Information Systems, Computing Facilities, Production Grids and Networking, Grid Middleware and Tools, Distributed Data Analysis and Information Management and Collaborative Tools. The conference included a successful whale-watching excursion involving over 200 participants and a banquet at the Royal British Columbia Museum. The next CHEP conference will be held in Prague in March 2009. We would like thank the sponsors of the conference and the staff at the TRIUMF Laboratory and the University of Victoria who made the CHEP'07 a success. Randall Sobie and Reda Tafirout CHEP'07 Conference Chairs

  7. Computer Modeling of the Earliest Cellular Structures and Functions

    NASA Astrophysics Data System (ADS)

    Pohorille, Andrew

    2000-03-01

    In the absence of extinct or extant record of protocells (the earliest ancestors of contemporary cells), the most direct way to test ourunderstanding of the origin of cellular life is to construct laboratory models of protocells. Such efforts are currently underway in the NASA Astrobiology Program. They are accompanied by computational studies aimed at explaining self-organization of simple molecules into ordered structures and developing designs for molecules that perform protocellular functions. Many of these functions, such as import of nutrients, capture and storage of energy, and response to changes in the environment are carried out by proteins bound to membranes. We will discuss a series of large-scale, molecular-level computer simulations which demonstrate (a) how small proteins (peptides)organize themselves into ordered structures at water-membrane interfaces and insert into membranes, (b) how these peptides aggregate to form membrane-spanning structures (e.g. channels), and (c) by what mechanisms such aggregates perform essential protocellular functions, such as proton transport of protons across cell walls, a key step in cellular bioenergetics. The simulations were performed using the molecular dynamics method, in which Newton's equations of motion for each atom in the system are solved iteratively. The problems of interest required simulations on multi-nanosecond time scales, which corresponded to 10^6-10^8 time steps.

  8. Computer Modeling of the Earliest Cellular Structures and Functions

    NASA Technical Reports Server (NTRS)

    Pohorille, Andrew; Chipot, Christophe; Schweighofer, Karl

    2000-01-01

    In the absence of extinct or extant record of protocells (the earliest ancestors of contemporary cells). the most direct way to test our understanding of the origin of cellular life is to construct laboratory models of protocells. Such efforts are currently underway in the NASA Astrobiology Program. They are accompanied by computational studies aimed at explaining self-organization of simple molecules into ordered structures and developing designs for molecules that perform proto-cellular functions. Many of these functions, such as import of nutrients, capture and storage of energy. and response to changes in the environment are carried out by proteins bound to membrane< We will discuss a series of large-scale, molecular-level computer simulations which demonstrate (a) how small proteins (peptides) organize themselves into ordered structures at water-membrane interfaces and insert into membranes, (b) how these peptides aggregate to form membrane-spanning structures (eg. channels), and (c) by what mechanisms such aggregates perform essential proto-cellular functions, such as proton transport of protons across cell walls, a key step in cellular bioenergetics. The simulations were performed using the molecular dynamics method, in which Newton's equations of motion for each item in the system are solved iteratively. The problems of interest required simulations on multi-nanosecond time scales, which corresponded to 10(exp 6)-10(exp 8) time steps.

  9. Pore structure development in oxidized IG-110 nuclear graphite

    SciTech Connect

    Wang, Peng; Contescu, Cristian I; Yu, Suyuan; Burchell, Timothy D

    2012-01-01

    The oxidation-induced porosity development in nuclear graphite has great effect on its mechanical behavior, thus it is very important to understand the pore structure development of nuclear graphite during oxidation. This paper reports on the oxidation kinetics of grade IG-110 nuclear graphite and the porosity development in oxidized samples. The distribution of the oxidized layer in IG-110 specimens oxidized at 600-750 C was studied using optical microscopy coupled with automated image analysis technique, and the mechanism of porosity development was determined. The thickness of oxidized layer decreased with the oxidation temperature but was independent of the weight loss level. Oxidation caused consumption of graphite structure and development of porosity, which was initiated from the binder phase. Statistical analysis indicated that generation and growth of pores was dominant at low temperatures, while merging and collapse of pores was the main effect at high temperatures. Compared with medium-grained PCEA graphite, the fine-grained IG-110 graphite demonstrates deeper penetration of the oxidant because of its higher pore density and lager porosity.

  10. Studying the Effects of Nuclear Weapons Using a Slide-Rule Computer

    NASA Astrophysics Data System (ADS)

    Shastri, Ananda

    2007-12-01

    This paper describes the construction of a slide-rule computer that allows one to quickly determine magnitudes of several effects that result from the detonation of a nuclear device. Suggestions for exercises are also included that allow high school and college-level physics students to explore scenarios involving these effects. It is hoped that discussing the effects objectively will inform students and allow them to make sound judgments on issues concerning nuclear weapons. The material in this paper was presented to high school students in a day-long activity session hosted by the author's university.

  11. Programming Probabilistic Structural Analysis for Parallel Processing Computer

    NASA Technical Reports Server (NTRS)

    Sues, Robert H.; Chen, Heh-Chyun; Twisdale, Lawrence A.; Chamis, Christos C.; Murthy, Pappu L. N.

    1991-01-01

    The ultimate goal of this research program is to make Probabilistic Structural Analysis (PSA) computationally efficient and hence practical for the design environment by achieving large scale parallelism. The paper identifies the multiple levels of parallelism in PSA, identifies methodologies for exploiting this parallelism, describes the development of a parallel stochastic finite element code, and presents results of two example applications. It is demonstrated that speeds within five percent of those theoretically possible can be achieved. A special-purpose numerical technique, the stochastic preconditioned conjugate gradient method, is also presented and demonstrated to be extremely efficient for certain classes of PSA problems.

  12. Large-scale computations in analysis of structures

    SciTech Connect

    McCallen, D.B.; Goudreau, G.L.

    1993-09-01

    Computer hardware and numerical analysis algorithms have progressed to a point where many engineering organizations and universities can perform nonlinear analyses on a routine basis. Through much remains to be done in terms of advancement of nonlinear analysis techniques and characterization on nonlinear material constitutive behavior, the technology exists today to perform useful nonlinear analysis for many structural systems. In the current paper, a survey on nonlinear analysis technologies developed and employed for many years on programmatic defense work at the Lawrence Livermore National Laboratory is provided, and ongoing nonlinear numerical simulation projects relevant to the civil engineering field are described.

  13. SInCRe-structural interactome computational resource for Mycobacterium tuberculosis.

    PubMed

    Metri, Rahul; Hariharaputran, Sridhar; Ramakrishnan, Gayatri; Anand, Praveen; Raghavender, Upadhyayula S; Ochoa-Montaño, Bernardo; Higueruelo, Alicia P; Sowdhamini, Ramanathan; Chandra, Nagasuma R; Blundell, Tom L; Srinivasan, Narayanaswamy

    2015-01-01

    We have developed an integrated database for Mycobacterium tuberculosis H37Rv (Mtb) that collates information on protein sequences, domain assignments, functional annotation and 3D structural information along with protein-protein and protein-small molecule interactions. SInCRe (Structural Interactome Computational Resource) is developed out of CamBan (Cambridge and Bangalore) collaboration. The motivation for development of this database is to provide an integrated platform to allow easily access and interpretation of data and results obtained by all the groups in CamBan in the field of Mtb informatics. In-house algorithms and databases developed independently by various academic groups in CamBan are used to generate Mtb-specific datasets and are integrated in this database to provide a structural dimension to studies on tuberculosis. The SInCRe database readily provides information on identification of functional domains, genome-scale modelling of structures of Mtb proteins and characterization of the small-molecule binding sites within Mtb. The resource also provides structure-based function annotation, information on small-molecule binders including FDA (Food and Drug Administration)-approved drugs, protein-protein interactions (PPIs) and natural compounds that bind to pathogen proteins potentially and result in weakening or elimination of host-pathogen protein-protein interactions. Together they provide prerequisites for identification of off-target binding. PMID:26130660

  14. SInCRe—structural interactome computational resource for Mycobacterium tuberculosis

    PubMed Central

    Metri, Rahul; Hariharaputran, Sridhar; Ramakrishnan, Gayatri; Anand, Praveen; Raghavender, Upadhyayula S.; Ochoa-Montaño, Bernardo; Higueruelo, Alicia P.; Sowdhamini, Ramanathan; Chandra, Nagasuma R.; Blundell, Tom L.; Srinivasan, Narayanaswamy

    2015-01-01

    We have developed an integrated database for Mycobacterium tuberculosis H37Rv (Mtb) that collates information on protein sequences, domain assignments, functional annotation and 3D structural information along with protein–protein and protein–small molecule interactions. SInCRe (Structural Interactome Computational Resource) is developed out of CamBan (Cambridge and Bangalore) collaboration. The motivation for development of this database is to provide an integrated platform to allow easily access and interpretation of data and results obtained by all the groups in CamBan in the field of Mtb informatics. In-house algorithms and databases developed independently by various academic groups in CamBan are used to generate Mtb-specific datasets and are integrated in this database to provide a structural dimension to studies on tuberculosis. The SInCRe database readily provides information on identification of functional domains, genome-scale modelling of structures of Mtb proteins and characterization of the small-molecule binding sites within Mtb. The resource also provides structure-based function annotation, information on small-molecule binders including FDA (Food and Drug Administration)-approved drugs, protein–protein interactions (PPIs) and natural compounds that bind to pathogen proteins potentially and result in weakening or elimination of host–pathogen protein–protein interactions. Together they provide prerequisites for identification of off-target binding. Database URL: http://proline.biochem.iisc.ernet.in/sincre PMID:26130660

  15. Density functional theory computation of Nuclear Magnetic Resonance parameters in light and heavy nuclei

    NASA Astrophysics Data System (ADS)

    Sutter, Kiplangat

    This thesis illustrates the utilization of Density functional theory (DFT) in calculations of gas and solution phase Nuclear Magnetic Resonance (NMR) properties of light and heavy nuclei. Computing NMR properties is still a challenge and there are many unknown factors that are still being explored. For instance, influence of hydrogen-bonding; thermal motion; vibration; rotation and solvent effects. In one of the theoretical studies of 195Pt NMR chemical shift in cisplatin and its derivatives illustrated in Chapter 2 and 3 of this thesis. The importance of representing explicit solvent molecules explicitly around the Pt center in cisplatin complexes was outlined. In the same complexes, solvent effect contributed about half of the J(Pt-N) coupling constant. Indicating the significance of considering the surrounding solvent molecules in elucidating the NMR measurements of cisplatin binding to DNA. In chapter 4, we explore the Spin-Orbit (SO) effects on the 29Si and 13C chemical shifts induced by surrounding metal and ligands. The unusual Ni, Pd, Pt trends in SO effects to the 29Si in metallasilatrane complexes X-Si-(mu-mt)4-M-Y was interpreted based on electronic and relativistic effects rather than by structural differences between the complexes. In addition, we develop a non-linear model for predicting NMR SO effects in a series of organics bonded to heavy nuclei halides. In chapter 5, we extend the idea of "Chemist's orbitals" LMO analysis to the quantum chemical proton NMR computation of systems with internal resonance-assisted hydrogen bonds. Consequently, we explicitly link the relationship between the NMR parameters related to H-bonded systems and intuitive picture of a chemical bond from quantum calculations. The analysis shows how NMR signatures characteristic of H-bond can be explained by local bonding and electron delocalization concepts. One shortcoming of some of the anti-cancer agents like cisplatin is that they are toxic and researchers are looking for

  16. Structural mechanism for signal transduction in RXR nuclear receptor heterodimers

    PubMed Central

    Kojetin, Douglas J.; Matta-Camacho, Edna; Hughes, Travis S.; Srinivasan, Sathish; Nwachukwu, Jerome C.; Cavett, Valerie; Nowak, Jason; Chalmers, Michael J.; Marciano, David P.; Kamenecka, Theodore M.; Shulman, Andrew I.; Rance, Mark; Griffin, Patrick R.; Bruning, John B.; Nettles, Kendall W.

    2015-01-01

    A subset of nuclear receptors (NRs) function as obligate heterodimers with retinoid X receptor (RXR), allowing integration of ligand-dependent signals across the dimer interface via an unknown structural mechanism. Using nuclear magnetic resonance (NMR) spectroscopy, x-ray crystallography and hydrogen/deuterium exchange (HDX) mass spectrometry, here we show an allosteric mechanism through which RXR co-operates with a permissive dimer partner, peroxisome proliferator-activated receptor (PPAR)-γ, while rendered generally unresponsive by a non-permissive dimer partner, thyroid hormone (TR) receptor. Amino acid residues that mediate this allosteric mechanism comprise an evolutionarily conserved network discovered by statistical coupling analysis (SCA). This SCA network acts as a signalling rheostat to integrate signals between dimer partners, ligands and coregulator-binding sites, thereby affecting signal transmission in RXR heterodimers. These findings define rules guiding how NRs integrate two ligand-dependent signalling pathways into RXR heterodimer-specific responses. PMID:26289479

  17. Nuclear structure studies with medium energy probes. [Northwestern Univ

    SciTech Connect

    Seth, Kamal K.

    1980-01-01

    Progress in the continuing program of experimental research in nuclear structure with medium-energy probes during the year 1979-1980 is reviewed, and the research activities planned for the year 1980-1981 are discussed. In the study of pion-induced reactions emphasis is placed on investigation of isovector characteristics of nuclear excitations and on double charge exchange reactions. Pion production studies form the major part of the program of experiments with proton beams of 400 to 800 MeV at LAMPF. Current emphasis is on the bearing of these investigations on di-baryon existence. The study of high-spin states and magnetic scattering constitute the main goals of the electron scattering program at Bates. Representative results are presented; completed work is reported in the usual publications. (RWR)

  18. NVR-BIP: Nuclear Vector Replacement using Binary Integer Programming for NMR Structure-Based Assignments

    PubMed Central

    Apaydin, Mehmet Serkan; Çatay, Bülent; Patrick, Nicholas; Donald, Bruce R.

    2014-01-01

    Nuclear magnetic resonance (NMR) spectroscopy is an important experimental technique that allows one to study protein structure and dynamics in solution. An important bottleneck in NMR protein structure determination is the assignment of NMR peaks to the corresponding nuclei. Structure-based assignment (SBA) aims to solve this problem with the help of a template protein which is homologous to the target and has applications in the study of structure–activity relationship, protein–protein and protein–ligand interactions. We formulate SBA as a linear assignment problem with additional nuclear overhauser effect constraints, which can be solved within nuclear vector replacement’s (NVR) framework (Langmead, C., Yan, A., Lilien, R., Wang, L. and Donald, B. (2003) A Polynomial-Time Nuclear Vector Replacement Algorithm for Automated NMR Resonance Assignments. Proc. the 7th Annual Int. Conf. Research in Computational Molecular Biology (RECOMB), Berlin, Germany, April 10–13, pp. 176–187. ACM Press, New York, NY. J. Comp. Bio., (2004), 11, pp. 277–298; Langmead, C. and Donald, B. (2004) An expectation/maximization nuclear vector replacement algorithm for automated NMR resonance assignments. J. Biomol. NMR, 29, 111–138). Our approach uses NVR’s scoring function and data types and also gives the option of using CH and NH residual dipolar coupling (RDCs), instead of NH RDCs which NVR requires. We test our technique on NVR’s data set as well as on four new proteins. Our results are comparable to NVR’s assignment accuracy on NVR’s test set, but higher on novel proteins. Our approach allows partial assignments. It is also complete and can return the optimum as well as near-optimum assignments. Furthermore, it allows us to analyze the information content of each data type and is easily extendable to accept new forms of input data, such as additional RDCs. PMID:25580019

  19. Management of aging of nuclear power plant containment structures

    SciTech Connect

    Naus, D.; Oland, C.B.; Ellingwood, B.; Norris, W.E.; Graves, H.L. III

    1998-06-01

    Research addressing aging management of nuclear power plant concrete and steel containment structures is summarized. Accomplishments related to concrete containment structures include formation of a materials` property database; an aging assessment methodology to identify critical structures and degradation factors; guidelines and evaluation criteria for use in condition assessments; and a time-dependent reliability-based methodology for condition assessments and estimations of future performance. Under the steel containments and liners activity, a degradation assessment methodology has been developed, mathematical models that describe time-dependent changes in the containment due to aggressive environmental factors have been identified, and statistical data supporting the use of these models in time-dependent reliability analysis have been summarized.

  20. Recent results on nuclear structure functions for light nuclei

    SciTech Connect

    Kulagin, S. A.; Petti, R.

    2011-09-21

    We discuss the nuclear EMC effect with particular emphasis on recent data for light nuclei including {sup 2}H, {sup 3}He, {sup 4}He, {sup 9}Be, {sup 12}C and {sup 14}N. In order to verify the consistency of available data, we calculate the {chi}{sup 2} deviation between different data sets. We find a good agreement between the results from the NMC, SLAC E139, and HERMES experiments. However, our analysis indicates an overall normalization offset of about 2% in the data from the recent JLab E03-103 experiment with respect to previous data for nuclei heavier than {sup 3}He. We also discuss the extraction of the neutron/proton structure function ratio F{sub 2}{sup n}/F{sub 2}{sup p} from the nuclear ratios {sup 3}He/{sup 2}H and {sup 2}H/{sup 1}H. Our analysis shows that the E03-103 data on {sup 3}He/{sup 2}H require a renormalization of about 3% in order to be consistent with the F{sub 2}{sup n}/F{sub 2}{sup p} ratio obtained from the NMC experiment. After such a renormalization, the {sup 3}He data from the E03-103 data and HERMES experiments are in a good agreement. We also present a detailed comparison between data and model calculations, which include a description of the nuclear binding, Fermi motion and off-shell corrections to the structure functions of bound proton and neutron, as well as the nuclear pion and shadowing corrections.

  1. The Nuclear Energy Advanced Modeling and Simulation Enabling Computational Technologies FY09 Report

    SciTech Connect

    Diachin, L F; Garaizar, F X; Henson, V E; Pope, G

    2009-10-12

    In this document we report on the status of the Nuclear Energy Advanced Modeling and Simulation (NEAMS) Enabling Computational Technologies (ECT) effort. In particular, we provide the context for ECT In the broader NEAMS program and describe the three pillars of the ECT effort, namely, (1) tools and libraries, (2) software quality assurance, and (3) computational facility (computers, storage, etc) needs. We report on our FY09 deliverables to determine the needs of the integrated performance and safety codes (IPSCs) in these three areas and lay out the general plan for software quality assurance to meet the requirements of DOE and the DOE Advanced Fuel Cycle Initiative (AFCI). We conclude with a brief description of our interactions with the Idaho National Laboratory computer center to determine what is needed to expand their role as a NEAMS user facility.

  2. Fast computation of Lagrangian coherent structures: algorithms and error analysis

    NASA Astrophysics Data System (ADS)

    Brunton, Steven; Rowley, Clarence

    2009-11-01

    This work investigates a number of efficient methods for computing finite time Lyapunov exponent (FTLE) fields in unsteady flows by approximating the particle flow map and eliminating redundant particle integrations in neighboring flow maps. Ridges of the FTLE fields are Lagrangian coherent structures (LCS) and provide an unsteady analogue of invariant manifolds from dynamical systems theory. The fast methods fall into two categories, unidirectional and bidirectional, depending on whether flow maps in one or both time directions are composed to form an approximate flow map. An error analysis is presented which shows that the unidirectional methods are accurate while the bidirectional methods have significant error which is aligned with the opposite time coherent structures. This relies on the fact that material from the positive time LCS attracts onto the negative time LCS near time-dependent saddle points.

  3. ACCESS computer program for the synthesis of large structural systems

    NASA Technical Reports Server (NTRS)

    Fleury, C.; Ramanathan, R. K.; Salama, M.; Schmit, L. A., Jr.

    1982-01-01

    The structural-synthesis computer code ACCESS-3, originally limited to the optimization of relatively simple problems involving truss, membrane, and shear panel elements, has been restructured to make it applicable to structures with a larger number of degrees-of-freedom, design variables, and constraints. The modifications made allow the use of six degrees-of-freedom per node and permit the out-of-core solution of large matrix equations encountered at the analysis stage. Also, finite elements which permit pure bending as well as combined bending and membrane (axial) behavior have been added to satisfy the need for a more comprehensive set of elements. Like its predecessor, the new version of the program combines the approximation concepts with primal or dual formulations to provide an efficient optimization tool.

  4. NUSTART: A PC code for NUclear STructure And Radiative Transition analysis and supplementation

    SciTech Connect

    Larsen, G.L.; Gardner, D.G.; Gardner, M.A.

    1990-10-01

    NUSTART is a computer program for the IBM PC/At. It is designed for use with the nuclear reaction cross-section code STAPLUS, which is a STAPRE-based CRAY computer code that is being developed at Lawrence Livermore National Laboratory. The NUSTART code was developed to handle large sets of discrete nuclear levels and the multipole transitions among these levels; it operates in three modes. The Data File Error Analysis mode analyzes an existing STAPLUS input file containing the levels and their multipole transition branches for a number of physics and/or typographical errors. The Interactive Data File Generation mode allows the user to create input files of discrete levels and their branching fractions in the format required by STAPLUS, even though the user enters the information in the (different) format used by many people in the nuclear structure field. In the Branching Fractions Calculations mode, the discrete nuclear level set is read, and the multipole transitions among the levels are computed under one of two possible assumptions: (1) the levels have no collective character, or (2) the levels are all rotational band heads. Only E1, M1, and E2 transitions are considered, and the respective strength functions may be constants or, in the case of E1 transitions, the strength function may be energy dependent. The first option is used for nuclei closed shells; the bandhead option may be used to vary the E1, M1, and E2 strengths for interband transitions. K-quantum number selection rules may be invoked if desired. 19 refs.

  5. Real-time computer analysis for nuclear material detection. Part 3. Nuclear instrumentation interface

    SciTech Connect

    Gosnell, T.B.; Wood, R.E.; Anzelon, G.A.

    1981-12-01

    An electronic interface between a Digital Equipment Corporation (DEC) LSI-11 microcomputer and a LeCroy Research Systems model 3001 qVt multichannel analyzer is described in detail. This interface provides for 16-bit parallel data transfer from the memory of the analyzer to the memory of the computer. An unusual feature of the interface is a provision that allows storage of counts of logic pulses (e.g., from radiation detector discriminators) in the first 16 channels of the analyzer's memory. A further provision allows use of a LeCroy printer and display interface that is designed specifically as a companion module to the qVt analyzer.

  6. Approximation method to compute domain related integrals in structural studies

    NASA Astrophysics Data System (ADS)

    Oanta, E.; Panait, C.; Raicu, A.; Barhalescu, M.; Axinte, T.

    2015-11-01

    Various engineering calculi use integral calculus in theoretical models, i.e. analytical and numerical models. For usual problems, integrals have mathematical exact solutions. If the domain of integration is complicated, there may be used several methods to calculate the integral. The first idea is to divide the domain in smaller sub-domains for which there are direct calculus relations, i.e. in strength of materials the bending moment may be computed in some discrete points using the graphical integration of the shear force diagram, which usually has a simple shape. Another example is in mathematics, where the surface of a subgraph may be approximated by a set of rectangles or trapezoids used to calculate the definite integral. The goal of the work is to introduce our studies about the calculus of the integrals in the transverse section domains, computer aided solutions and a generalizing method. The aim of our research is to create general computer based methods to execute the calculi in structural studies. Thus, we define a Boolean algebra which operates with ‘simple’ shape domains. This algebraic standpoint uses addition and subtraction, conditioned by the sign of every ‘simple’ shape (-1 for the shapes to be subtracted). By ‘simple’ shape or ‘basic’ shape we define either shapes for which there are direct calculus relations, or domains for which their frontiers are approximated by known functions and the according calculus is carried out using an algorithm. The ‘basic’ shapes are linked to the calculus of the most significant stresses in the section, refined aspect which needs special attention. Starting from this idea, in the libraries of ‘basic’ shapes, there were included rectangles, ellipses and domains whose frontiers are approximated by spline functions. The domain triangularization methods suggested that another ‘basic’ shape to be considered is the triangle. The subsequent phase was to deduce the exact relations for the

  7. BOLD VENTURE COMPUTATION SYSTEM for nuclear reactor core analysis, Version III

    SciTech Connect

    Vondy, D.R.; Fowler, T.B.; Cunningham, G.W. III.

    1981-06-01

    This report is a condensed documentation for VERSION III of the BOLD VENTURE COMPUTATION SYSTEM for nuclear reactor core analysis. An experienced analyst should be able to use this system routinely for solving problems by referring to this document. Individual reports must be referenced for details. This report covers basic input instructions and describes recent extensions to the modules as well as to the interface data file specifications. Some application considerations are discussed and an elaborate sample problem is used as an instruction aid. Instructions for creating the system on IBM computers are also given.

  8. Computational study of hydroxyapatite structures, properties and defects

    NASA Astrophysics Data System (ADS)

    Bystrov, V. S.; Coutinho, J.; Bystrova, A. V.; Dekhtyar, Yu D.; Pullar, R. C.; Poronin, A.; Palcevskis, E.; Dindune, A.; Alkan, B.; Durucan, C.; Paramonova, E. V.

    2015-03-01

    Hydroxyapatite (HAp) was studied from a first principle approach using the local density approximation (LDA) method in AIMPRO code, in combination with various quantum mechanical (QM) and molecular mechanical (MM) methods from HypemChem 7.5/8.0. The data obtained were used for studies of HAp structures, the physical properties of HAp (density of electronic states—DOS, bulk modulus etc) and defects in HAp. Computed data confirmed that HAp can co-exist in different phases—hexagonal and monoclinic. Ordered monoclinic structures, which could reveal piezoelectric properties, are of special interest. The data obtained allow us to characterize the properties of the following defects in HAp: O, H and OH vacancies; H and OH interstitials; substitutions of Ca by Mg, Sr, Mn or Se, and P by Si. These properties reveal the appearance of additional energy levels inside the forbidden zone, shifts of the top of the valence band or the bottom of the conduction band, and subsequent changes in the width of the forbidden zone. The data computed are compared with other known data, both calculated and experimental, such as alteration of the electron work functions under different influences of various defects and treatments, obtained by photoelectron emission. The obtained data are very useful, and there is an urgent need for such analysis of modified HAp interactions with living cells and tissues, improvement of implant techniques and development of new nanomedical applications.

  9. Computational aspects of sensitivity calculations in transient structural analysis

    NASA Technical Reports Server (NTRS)

    Greene, William H.; Haftka, Raphael T.

    1988-01-01

    A key step in the application of formal automated design techniques to structures under transient loading is the calculation of sensitivities of response quantities to the design parameters. This paper considers structures with general forms of damping acted on by general transient loading and addresses issues of computational errors and computational efficiency. The equations of motion are reduced using the traditional basis of vibration modes and then integrated using a highly accurate, explicit integration technique. A critical point constraint formulation is used to place constraints on the magnitude of each response quantity as a function of time. Three different techniques for calculating sensitivities of the critical point constraints are presented. The first two are based on the straightforward application of the forward and central difference operators, respectively. The third is based on explicit differentiation of the equations of motion. Condition errors, finite difference truncation errors, and modal convergence errors for the three techniques are compared by applying them to a simple five-span-beam problem. Sensitivity results are presented for two different transient loading conditions and for both damped and undamped cases.

  10. Linking Nuclear Reactions and Nuclear Structure on the Way to the Drip Line

    NASA Astrophysics Data System (ADS)

    Dickhoff, Willem

    2012-10-01

    The present understanding of the role of short- and long-range physics in determining proton properties near the Fermi energy for stable closed-shell nuclei has relied on data from the (e,e'p) reaction. Hadronic tools to extract such spectroscopic information have been hampered by the lack of a consistent reaction description that provides unambiguous and undisputed results. The dispersive optical model (DOM), originally conceived by Claude Mahaux, provides a unified description of both elastic nucleon scattering and structure information related to single-particle properties below the Fermi energy. The DOM provides the starting point to provide a framework in which nuclear reactions and structure data can be analyzed consistently to provide unambiguous spectroscopic information including its asymmetry dependence. Recent extensions of this approach include the treatment of non-locality to describe experimental data like the nuclear charge density based on information of the spectral density below the Fermi energy, the application of the DOM ingredients to the description of transfer reactions, a comparison of the microscopic content of the nucleon self-energy based on Faddeev-RPA calculations emphasizing long-range correlations with DOM potentials, and a study of the relation between a self-energy which includes the effect of short-range correlations with DOM potentials. The most recent Dom implementation currently in progress abandons the constraint of local potentials completely to allow an accurate description of various properties of the nuclear ground state.

  11. Personal computer based decision support system for routing nuclear spent fuel

    SciTech Connect

    Chin, Shih-Miao; Joy, D.S.; Johnson, P.E. ); Bobic, S.M.; Miaou, Shaw-Pin . Transportation Center)

    1989-11-14

    An approach has been formulated to route nuclear spent fuel over the US Interstate highway network. This approach involves the generation of alternative routes so that any potential adverse impacts will not only concentrate on regions along the shortest path between the nuclear power plant and repository. Extensive literature research on the shortest path finding algorithms has been carried out. Consequently, an extremely efficient shortest path algorithm has been implemented and significantly increases the overall system performance. State-of-the-art interactive computer graphics is used. In addition to easy-to-use pop-up menus, full color mapping and display capabilities are also incorporated. All of these features have been implemented on commonly available personal computers. 6 figs., 2 tabs.

  12. Computation of the seismic stability of earth retaining structures

    SciTech Connect

    1998-07-30

    The purpose of this CRADA project was to evaluate the seismic stability of block retaining wall systems. Retaining wall systems are used extensively in private and commercial developments. This study was designed to develop and demonstrate a computer modeling technology to be used to predict the seismic stability of any block wall system design. The nonlinear finite element computer programs developed at LLNL and employed in the Computational Earthquake Initiative were utilized in this small business CRADA to analyze the seismic stability of the block retaining walls. The unique capability of the LLNL programs to rigorously model frictional contact in a dynamic analysis problem were used in a computer simulation of the dynamic interaction the block wall/soil systems under seismic excitation. Another important application, and the focus of the proposal, was the use of block retaining walls in highway transportation systems to provide a vertical wall to hold back a mass of soil near highway bridges, and at on-ramps and off-ramps. Block retaining walls offered the potential of highway retaining wall construction which was both more flexible and more economical than existing poured-in-place and tilt-up highway retaining wall construction. However, block retaining wall technology was not embraced and utilized in the State of California as a result of seismic stability concerns expressed by Caltrans. Caltrans had an interest in utilizing block wall systems as soil retaining systems for major highway structures in California, but they stated to the block wall manufacturers and the manufacturer's engineering consultants that block retaining walls could not be employed until Caltrans was convinced of the earthquake stability of such systems.

  13. PASS: A computer program for Preliminary Aircraft Structural Synthesis

    NASA Technical Reports Server (NTRS)

    Johnson, E. H.

    1977-01-01

    A computer code for Preliminary Aircraft Structural Synthesis provides rapid and accurate analysis for aircraft structures that can be adequately modeled by beam finite elements. The philosophy used in developing the program was to provide a basic framework that can be used for structural synthesis. It is anticipated that a user will need to add detail to this framework in order to perform his specific task. With this philosophy in mind, the program was written so that it is easily divided into segments, thereby making it readily adaptable. The theoretical portion of this manual describes the basic structure of the program and details the development of the unique beam element that is used. The present capability of the algorithm is stated and suggestions are made regarding enhancements to this capability. User information is also given that provides an overview of the program's construction, identifies the required inputs, describes the program output, provides some comments on the program use, and exhibits results for a simple example.

  14. Nuclear reactor containment structure with continuous ring tunnel at grade

    DOEpatents

    Seidensticker, Ralph W.; Knawa, Robert L.; Cerutti, Bernard C.; Snyder, Charles R.; Husen, William C.; Coyer, Robert G.

    1977-01-01

    A nuclear reactor containment structure which includes a reinforced concrete shell, a hemispherical top dome, a steel liner, and a reinforced-concrete base slab supporting the concrete shell is constructed with a substantial proportion thereof below grade in an excavation made in solid rock with the concrete poured in contact with the rock and also includes a continuous, hollow, reinforced-concrete ring tunnel surrounding the concrete shell with its top at grade level, with one wall integral with the reinforced concrete shell, and with at least the base of the ring tunnel poured in contact with the rock.

  15. Formal Nuclear and Atomic Structure of the Elements

    NASA Astrophysics Data System (ADS)

    Nduka, Amagh

    2004-05-01

    In the paper "The Space of 4-Operators and the Unification of the Fundamental Interactions" (see APS paper with log number 10016) we discussed the Fundamental Particle Scheme (not the Standard Model). As an application of the theory, we discuss in this paper formal atomic and nuclear structures and (1) deduce the correct periodic table of the elements that accounts for the missing elements of the empirically derived Chancourtois-Newlands-Lothar Meyer-Mendeleev table; and a table of the nuclides, (2) calculate the mass of the electron neutrino, and deduce the missing mass and dark matter of the universe.

  16. Disentangling Effects of Nuclear Structure in Heavy Element Formation

    SciTech Connect

    Hinde, D. J.; Thomas, R. G.; Rietz, R. du; Diaz-Torres, A.; Dasgupta, M.; Brown, M. L.; Evers, M.; Gasques, L. R.; Rafiei, R.; Rodriguez, M. D.

    2008-05-23

    Forming the same heavy compound nucleus with different isotopes of the projectile and target elements allows nuclear structure effects in the entrance channel (resulting in static deformation) and in the dinuclear system to be disentangled. Using three isotopes of Ti and W, forming {sup 232}Cm, with measurement spanning the capture barrier energies, alignment of the heavy prolate deformed nucleus is shown to be the main reason for the broadening of the mass distribution of the quasifission fragments as the beam energy is reduced. The complex, consistently evolving mass-angle correlations that are observed carry more information than the integrated mass or angular distributions, and should severely test models of quasifission.

  17. Impact of nuclear structure on production of superheavy nuclei

    NASA Astrophysics Data System (ADS)

    Adamian, G. G.; Antonenko, N. V.; Bezbakh, A. N.; Shneidman, T. M.; Scheid, W.

    2014-05-01

    The calculations performed with the modified two-center shell model reveal quite strong shell effects at Z = 120 - 126 and N = 184 as in the self-consistent mean-field treatments. If our prediction of the structure of heaviest nuclei is correct, than one can expect the production of evaporation residues Z = 120 in the reactions50Ti+249Cf and 54Cr+248Cm in near future. The nuclear level densities were calculated for the nuclei of a-decay chains containing 296,298,300120. The minima of the level density parameter clearly indicate the strong shell effect at Z = 120.

  18. Nuclear structure studies far from the line of beta stability

    SciTech Connect

    Avignone, F.T. III

    1986-04-15

    This report includes research activities concerning nuclear structure research of neutron rich and neutron deficient isotopes. Individual sections deal with Coulomb interactions; lifetime measurements of nuclei; calculations and Monte Carlo simulations for predicting responses of Ge and NaI(Tl) detectors to gamma radiation; and beta decay, energy levels, and mass measurements of selected isotopes. The research program features the discovery of new isotopes via their delayed proton decay and the detailed investigation of the beta-delayed, proton spectra. This report covers activities through the contract period from 1979 through 1985. 10 refs. (DWL)

  19. POPCYCLE: a computer code for calculating nuclear and fossil plant levelized life-cycle power costs

    SciTech Connect

    Hardie, R.W.

    1982-02-01

    POPCYCLE, a computer code designed to calculate levelized life-cycle power costs for nuclear and fossil electrical generating plants is described. Included are (1) derivations of the equations and a discussion of the methodology used by POPCYCLE, (2) a description of the input required by the code, (3) a listing of the input for a sample case, and (4) the output for a sample case.

  20. The analysis of failed nuclear fuel rods by gamma computed tomography

    NASA Astrophysics Data System (ADS)

    Dobrin, Relu; Craciunescu, Teddy; Tuturici, Ioan Liviu

    1997-07-01

    The failure of the cladding of an irradiated nuclear fuel rod can lead to the loss of some γ-radioactive fission products. Consequently the distribution of these fission products is altered in the cross-section of the fuel rod. The modification of the distribution, obtained by gamma computed tomography, is used to determine the integrity of the fuel cladding. The paper reports an experimental result, obtained for a CANDU-type fuel rod, irradiated in a TRIGA 14 MWth reactor.

  1. Computational Efficient Upscaling Methodology for Predicting Thermal Conductivity of Nuclear Waste forms

    SciTech Connect

    Li, Dongsheng; Sun, Xin; Khaleel, Mohammad A.

    2011-09-28

    This study evaluated different upscaling methods to predict thermal conductivity in loaded nuclear waste form, a heterogeneous material system. The efficiency and accuracy of these methods were compared. Thermal conductivity in loaded nuclear waste form is an important property specific to scientific researchers, in waste form Integrated performance and safety code (IPSC). The effective thermal conductivity obtained from microstructure information and local thermal conductivity of different components is critical in predicting the life and performance of waste form during storage. How the heat generated during storage is directly related to thermal conductivity, which in turn determining the mechanical deformation behavior, corrosion resistance and aging performance. Several methods, including the Taylor model, Sachs model, self-consistent model, and statistical upscaling models were developed and implemented. Due to the absence of experimental data, prediction results from finite element method (FEM) were used as reference to determine the accuracy of different upscaling models. Micrographs from different loading of nuclear waste were used in the prediction of thermal conductivity. Prediction results demonstrated that in term of efficiency, boundary models (Taylor and Sachs model) are better than self consistent model, statistical upscaling method and FEM. Balancing the computation resource and accuracy, statistical upscaling is a computational efficient method in predicting effective thermal conductivity for nuclear waste form.

  2. Global nuclear structure effects of the tensor interaction

    SciTech Connect

    Zalewski, M.; Olbratowski, P.; Rafalski, M.; Werner, T. R.; Satula, W.; Wyss, R. A.

    2009-12-15

    A direct fit of the isoscalar spin-orbit (SO) and both isoscalar and isovector tensor coupling constants to the f{sub 5/2}-f{sub 7/2} SO splittings in {sup 40}Ca, {sup 56}Ni, and {sup 48}Ca nuclei requires a drastic reduction of the isoscalar SO strength and strong attractive tensor coupling constants. The aim of this work is to address further consequences of these strong attractive tensor and weak SO fields on binding energies, nuclear deformability, and high-spin states. In particular, the contribution to the nuclear binding energy from the tensor field shows a generic magic structure with tensorial magic numbers N(Z)=14,32,56, or 90, corresponding to the maximum spin asymmetries in 1d{sub 5/2}, 1f{sub 7/2}+2p{sub 3/2}, 1g{sub 9/2}+2d{sub 5/2}, and 1h{sub 11/2}+2f{sub 7/2} single-particle configurations, respectively, and that these numbers are smeared out by pairing correlations and deformation effects. The consequences of strong attractive tensor fields and weak SO interaction for nuclear stability at the drip lines are also examined, particularly those close to the tensorial doubly magic nuclei. The possibility of an entirely new tensor-force-driven deformation effect is discussed.

  3. Vorinostat differentially alters 3D nuclear structure of cancer and non-cancerous esophageal cells

    PubMed Central

    Nandakumar, Vivek; Hansen, Nanna; Glenn, Honor L.; Han, Jessica H.; Helland, Stephanie; Hernandez, Kathryn; Senechal, Patti; Johnson, Roger H.; Bussey, Kimberly J.; Meldrum, Deirdre R.

    2016-01-01

    The histone deacetylase (HDAC) inhibitor vorinostat has received significant attention in recent years as an ‘epigenetic’ drug used to treat solid tumors. However, its mechanisms of action are not entirely understood, particularly with regard to its interaction with the aberrations in 3D nuclear structure that accompany neoplastic progression. We investigated the impact of vorinostat on human esophageal epithelial cell lines derived from normal, metaplastic (pre-cancerous), and malignant tissue. Using a combination of novel optical computed tomography (CT)-based quantitative 3D absorption microscopy and conventional confocal fluorescence microscopy, we show that subjecting malignant cells to vorinostat preferentially alters their 3D nuclear architecture relative to non-cancerous cells. Optical CT (cell CT) imaging of fixed single cells showed that drug-treated cancer cells exhibit significant alterations in nuclear morphometry. Confocal microscopy revealed that vorinostat caused changes in the distribution of H3K9ac-marked euchromatin and H3K9me3-marked constitutive heterochromatin. Additionally, 3D immuno-FISH showed that drug-induced expression of the DNA repair gene MGMT was accompanied by spatial relocation toward the center of the nucleus in the nuclei of metaplastic but not in non-neoplastic cells. Our data suggest that vorinostat’s differential modulation of 3D nuclear architecture in normal and abnormal cells could play a functional role in its anti-cancer action. PMID:27503568

  4. Vorinostat differentially alters 3D nuclear structure of cancer and non-cancerous esophageal cells.

    PubMed

    Nandakumar, Vivek; Hansen, Nanna; Glenn, Honor L; Han, Jessica H; Helland, Stephanie; Hernandez, Kathryn; Senechal, Patti; Johnson, Roger H; Bussey, Kimberly J; Meldrum, Deirdre R

    2016-01-01

    The histone deacetylase (HDAC) inhibitor vorinostat has received significant attention in recent years as an 'epigenetic' drug used to treat solid tumors. However, its mechanisms of action are not entirely understood, particularly with regard to its interaction with the aberrations in 3D nuclear structure that accompany neoplastic progression. We investigated the impact of vorinostat on human esophageal epithelial cell lines derived from normal, metaplastic (pre-cancerous), and malignant tissue. Using a combination of novel optical computed tomography (CT)-based quantitative 3D absorption microscopy and conventional confocal fluorescence microscopy, we show that subjecting malignant cells to vorinostat preferentially alters their 3D nuclear architecture relative to non-cancerous cells. Optical CT (cell CT) imaging of fixed single cells showed that drug-treated cancer cells exhibit significant alterations in nuclear morphometry. Confocal microscopy revealed that vorinostat caused changes in the distribution of H3K9ac-marked euchromatin and H3K9me3-marked constitutive heterochromatin. Additionally, 3D immuno-FISH showed that drug-induced expression of the DNA repair gene MGMT was accompanied by spatial relocation toward the center of the nucleus in the nuclei of metaplastic but not in non-neoplastic cells. Our data suggest that vorinostat's differential modulation of 3D nuclear architecture in normal and abnormal cells could play a functional role in its anti-cancer action. PMID:27503568

  5. International Nuclear Energy Research Initiative Development of Computational Models for Pyrochemical Electrorefiners of Nuclear Waste Transmutation Systems

    SciTech Connect

    M.F. Simpson; K.-R. Kim

    2010-12-01

    In support of closing the nuclear fuel cycle using non-aqueous separations technology, this project aims to develop computational models of electrorefiners based on fundamental chemical and physical processes. Spent driver fuel from Experimental Breeder Reactor-II (EBR-II) is currently being electrorefined in the Fuel Conditioning Facility (FCF) at Idaho National Laboratory (INL). And Korea Atomic Energy Research Institute (KAERI) is developing electrorefining technology for future application to spent fuel treatment and management in the Republic of Korea (ROK). Electrorefining is a critical component of pyroprocessing, a non-aqueous chemical process which separates spent fuel into four streams: (1) uranium metal, (2) U/TRU metal, (3) metallic high-level waste containing cladding hulls and noble metal fission products, and (4) ceramic high-level waste containing sodium and active metal fission products. Having rigorous yet flexible electrorefiner models will facilitate process optimization and assist in trouble-shooting as necessary. To attain such models, INL/UI has focused on approaches to develop a computationally-light and portable two-dimensional (2D) model, while KAERI/SNU has investigated approaches to develop a computationally intensive three-dimensional (3D) model for detailed and fine-tuned simulation.

  6. Gaseous Diffusion and Pore Structure in Nuclear Graphites.

    NASA Astrophysics Data System (ADS)

    Mays, Timothy John

    Available from UMI in association with The British Library. With the incentive of providing more information for oxidation and safety studies of graphite components in thermal nuclear reactors, a new method has been developed to determine the gas transport pore structure in nuclear graphites. It involves an analysis of the dependence on pressure of the isobaric, isothermal (room temperature) diffusivity ratios of components in a binary gas mixture flowing through annular graphite samples. A Wicke-Kallenbach apparatus was specially built to measure He-Ar diffusivity ratios at pressures below 100 Torr. The new apparatus incorporates capacitance manometers and servovalves for pressure measurement and control, hot wire meters for flow rate measurements, and a mass spectrometer for gas analysis. As pressure decreased, the diffusivity ratios were observed to decrease non-linearly, indicating that the mechanism of flow in the materials was in the transition region between molecular and Knudsen diffusion. A mathematical model was derived to relate the pressure dependence of the transition diffusivity ratio to gas transport pore structure, and a statistical analysis based on Tikhonov regularisation was developed which gave a good fit of the model to the data, and optimal estimates of the number of model capillary pores, and the distribution of pore sizes. In comparison, the established methods of molecular diffusion and permeation (flow of pure gases) only give mean data on the pore size distribution. Pore structure data from the new method accurately predicted CO_2-Ar molecular diffusivity ratios, but overestimated N_2 permeability coefficients, due, it was assumed, to differences between diffusion and permeation pore structure. The cumulative volume distributions for transport pores from the transition diffusion data were similar in shape to those for open pores from mercury porosimetry, but shifted towards higher pore radii, indicating that diffusion is not so influenced

  7. Chlorine Nuclear Quadrupole Hyperfine Structure in the Vinyl - Chloride Complex

    NASA Astrophysics Data System (ADS)

    Leung, Helen O.; Marshall, Mark D.; Messinger, Joseph P.

    2015-06-01

    The microwave spectrum of the vinyl chloride--hydrogen chloride complex, presented at last year's symposium, is greatly complicated by the presence of two chlorine nuclei as well as an observed, but not fully explained tunneling motion. Indeed, although it was possible at that time to demonstrate conclusively that the complex is nonplanar, the chlorine nuclear quadrupole hyperfine splitting in the rotational spectrum resisted analysis. With higher resolution, Balle-Flygare Fourier transform microwave spectra, the hyperfine structure has been more fully resolved, but appears to be perturbed for some rotational transitions. It appears that knowledge of the quadrupole coupling constants will provide essential information regarding the structure of the complex, specifically the location of the hydrogen atom in HCl. Our progress towards obtaining values for these constants will be presented.

  8. Analysis of fine structure in the nuclear continuum

    SciTech Connect

    Shevchenko, A.; Kalmykov, Y.; Neumann-Cosel, P. von; Ponomarev, V. Yu.; Richter, A.; Wambach, J.; Carter, J.; Usman, I.; Cooper, G. R. J.; Fearick, R. W.

    2008-02-15

    Fine structure has been shown to be a general phenomenon of nuclear giant resonances of different multipolarities over a wide mass range. In this article we assess various techniques that have been proposed to extract quantitative information from the fine structure in terms of characteristic scales. These include the so-called local scaling dimension, the entropy index method, Fourier analysis, and continuous and discrete wavelet transforms. As an example, results on the isoscalar giant quadrupole resonance in {sup 208}Pb from high-energy-resolution inelastic proton scattering and calculations with the quasiparticle-phonon model are analyzed. Wavelet analysis, both continuous and discrete, of the spectra is shown to be a powerful tool to extract the magnitude and localization of characteristic scales.

  9. ROR nuclear receptors: structures, related diseases, and drug discovery

    PubMed Central

    Zhang, Yan; Luo, Xiao-yu; Wu, Dong-hai; Xu, Yong

    2015-01-01

    Nuclear receptors (NRs) are ligand-regulated transcription factors that regulate metabolism, development and immunity. The NR superfamily is one of the major classes of drug targets for human diseases. Retinoic acid receptor-related orphan receptor (ROR) α, β and γ belong to the NR superfamily, and these receptors are still considered as 'orphan' receptors because the identification of their endogenous ligands has been controversial. Recent studies have demonstrated that these receptors are regulated by synthetic ligands, thus emerge as important drug targets for the treatment of multiple sclerosis, rheumatoid arthritis, psoriasis, etc. Studying the structural basis and ligand development of RORs will pave the way for a better understanding of the roles of these receptors in human diseases. Here, we review the structural basis, disease relevance, strategies for ligand identification, and current status of development of therapeutic ligands for RORs. PMID:25500868

  10. Structures and construction of nuclear power plants on lunar surface

    NASA Astrophysics Data System (ADS)

    Shimizu, Katsunori; Kobatake, Masuhiko; Ogawa, Sachio; Kanamori, Hiroshi; Okada, Yasuhiko; Mano, Hideyuki; Takagi, Kenji

    1991-07-01

    The best structure and construction techniques of nuclear power plants in the severe environments on the lunar surface are studied. Facility construction types (functional conditions such as stable structure, shield thickness, maintainability, safety distances, and service life), construction conditions (such as construction methods, construction equipment, number of personnel, time required for construction, external power supply, and required transportation) and construction feasibility (construction method, reactor transportation between the moon and the earth, ground excavation for installation, loading and unloading, transportation, and installation, filling up the ground, electric power supply of plant S (300 kW class) and plant L (3000 kW class)) are outlined. Items to pay attention to in construction are (1) automation and robotization of construction; (2) cost reduction by multi functional robots; and (3) methods of supplying power to robots. A precast concrete block manufacturing plant is also outlined.

  11. Computational modeling and impact analysis of textile composite structures

    NASA Astrophysics Data System (ADS)

    Hur, Hae-Kyu

    This study is devoted to the development of an integrated numerical modeling enabling one to investigate the static and the dynamic behaviors and failures of 2-D textile composite as well as 3-D orthogonal woven composite structures weakened by cracks and subjected to static-, impact- and ballistic-type loads. As more complicated modeling about textile composite structures is introduced, some of homogenization schemes, geometrical modeling and crack propagations become more difficult problems to solve. To overcome these problems, this study presents effective mesh-generation schemes, homogenization modeling based on a repeating unit cell and sinusoidal functions, and also a cohesive element to study micro-crack shapes. This proposed research has two: (1) studying behavior of textile composites under static loads, (2) studying dynamic responses of these textile composite structures subjected to the transient/ballistic loading. In the first part, efficient homogenization schemes are suggested to show the influence of textile architectures on mechanical characteristics considering the micro modeling of repeating unit cell. Furthermore, the structures of multi-layered or multi-phase composites combined with different laminar such as a sub-laminate, are considered to find the mechanical characteristics. A simple progressive failure mechanism for the textile composites is also presented. In the second part, this study focuses on three main phenomena to solve the dynamic problems: micro-crack shapes, textile architectures and textile effective moduli. To obtain a good solutions of the dynamic problems, this research attempts to use four approaches: (I) determination of governing equations via a three-level hierarchy: micro-mechanical unit cell analysis, layer-wise analysis accounting for transverse strains and stresses, and structural analysis based on anisotropic plate layers, (II) development of an efficient computational approach enabling one to perform transient

  12. Computer experiments on the structure and dynamics of spiral galaxies

    NASA Technical Reports Server (NTRS)

    Hohl, F.

    1972-01-01

    The evolution of an initially balanced rotating disk of stars with an initial velocity dispersion given by Toomre's local criterion was investigated by means of a computer model for isolated disks of stars. It was found that the disk is unstable against very large scale modes. A stable axisymmetric disk with a velocity dispersion much larger than that given by Toomre's criterion was generated. The final mass distribution for the disk gives a high density central core and a disk population of stars that is closely approximated by an exponential variation. Various methods and rates of cooling the hot axisymmetric disks were investigated. It was found that the cooling resulted in the development of two-arm spiral structures which persisted as long as cooling continued. An experiment was performed to induce spiral structure in a galaxy by means of the close passage of a companion galaxy. Parameters similar to those expected for M51 and its companion were used. It was found that because of the high velocity dispersion of the disturbed disk galaxy, only a weak two-arm spiral structure appeared. The evolution of a uniformly rotating disk galaxy which is a stationary solution of the collisionless Boltzmann equation was investigated for various values of the initial rms velocity dispersion. It was found that the disk becomes stable at a value of the velocity dispersion predicted by theory.

  13. Computer simulation of the structure of ionic surfaces and interfaces

    SciTech Connect

    Wolf, D.

    1994-09-01

    The classic Madelung problem, i.e., the divergence associated with the r{sup {minus}1} term in the Coulomb potential of condensed ionic systems, was recently cast into an absolutely convergent form that is readily evaluated by direct lattice summation, revealing a net r{sup {minus}5} range of this potential. This realization that Coulomb interactions in condensed systems can actually be rather short ranged (if the system is overall neutral) permits novel physical insights into their structure and energetics to be gained. As an example, the authors demonstrate that an understanding of the range and the nature of the convergence of the Coulomb potential leads naturally to the prediction, verified here by computer simulations for rocksalt-structured surfaces, that all surfaces in predominantly ionic materials should be fundamentally reconstructed. The work also provides a conceptual framework for the theoretical treatment of polar surfaces and interfaces, as demonstrated here for the case of the (111) stacking fault and of the (111) twin boundary in the rocksalt structure.

  14. A new tool for the search of nuclides with properties suitable for nuclear solid state physics based on the Evaluated Nuclear Structure Data Files

    NASA Astrophysics Data System (ADS)

    Nagl, M. A.; Barbosa, M. B.; Vetter, U.; Correia, J. G.; Hofsäss, H. C.

    2013-10-01

    A software tool for the displaying of nuclear decay schemes, the calculation of angular γ emission anisotropies, and the automated search for appropriate decay cascade properties based on the Evaluated Nuclear Structure Data Files (ENSDF) was created and published for free download. After a short introduction of this tool, candidate nuclides for time differential perturbed γ-γ angular correlation (TDPAC) measurements are presented. These candidates are grouped according to their parent nuclides’ half-life periods in groups for online, on-site, and off-site measurements. For all candidates angular correlation coefficients (also called anisotropy values) were computed and are shown alongside magnetic and quadrupole moments from the ENSDF database and other sources. An extension of the presented software for the search of nuclides for Mössbauer spectroscopy, Nuclear Resonant Scattering, and other methods is easily possible.

  15. Nuclear Structure Studies at the Future FAIR facility

    SciTech Connect

    Rubio, Berta

    2010-04-26

    This article is intended to be an introduction to studies of nuclear structure at the future FAIR facility. It addresses interested readers not necessarily expert in the field. It outlines the physics aims and experiments to be carried out at FAIR in the field of nuclear structure and astrophysics. Starting with a brief description of what can be achieved in experiments with intense, high quality stable beams the article leads the reader to how beams of unstable radioactive nuclei will be produced and exploited at FAIR. The characteristics of the beams from the main separation device, the Super-FRS, are outlined and the limitations they impose on experiment are discussed. The various setups at the three experimental branches associated with the Super-FRS are described. The aims of the various experimental setups, how they complement each other and the physics they will address are all explained. The concept of the r-process of nucleosynthesis is outlined at the beginning and used as a running example of how useful it will be to be able to carry out experiments with beams of short-lived, exotic ions.

  16. Exploitation of realistic computational anthropomorphic phantoms for the optimization of nuclear imaging acquisition and processing protocols.

    PubMed

    Loudos, George K; Papadimitroulas, Panagiotis G; Kagadis, George C

    2014-01-01

    Monte Carlo (MC) simulations play a crucial role in nuclear medical imaging since they can provide the ground truth for clinical acquisitions, by integrating and quantifing all physical parameters that affect image quality. The last decade a number of realistic computational anthropomorphic models have been developed to serve imaging, as well as other biomedical engineering applications. The combination of MC techniques with realistic computational phantoms can provide a powerful tool for pre and post processing in imaging, data analysis and dosimetry. This work aims to create a global database for simulated Single Photon Emission Computed Tomography (SPECT) and Positron Emission Tomography (PET) exams and the methodology, as well as the first elements are presented. Simulations are performed using the well validated GATE opensource toolkit, standard anthropomorphic phantoms and activity distribution of various radiopharmaceuticals, derived from literature. The resulting images, projections and sinograms of each study are provided in the database and can be further exploited to evaluate processing and reconstruction algorithms. Patient studies using different characteristics are included in the database and different computational phantoms were tested for the same acquisitions. These include the XCAT, Zubal and the Virtual Family, which some of which are used for the first time in nuclear imaging. The created database will be freely available and our current work is towards its extension by simulating additional clinical pathologies. PMID:25570355

  17. TRUMP-BD: A computer code for the analysis of nuclear fuel assemblies under severe accident conditions

    SciTech Connect

    Lombardo, N.J.; Marseille, T.J.; White, M.D.; Lowery, P.S.

    1990-06-01

    TRUMP-BD (Boil Down) is an extension of the TRUMP (Edwards 1972) computer program for the analysis of nuclear fuel assemblies under severe accident conditions. This extension allows prediction of the heat transfer rates, metal-water oxidation rates, fission product release rates, steam generation and consumption rates, and temperature distributions for nuclear fuel assemblies under core uncovery conditions. The heat transfer processes include conduction in solid structures, convection across fluid-solid boundaries, and radiation between interacting surfaces. Metal-water reaction kinetics are modeled with empirical relationships to predict the oxidation rates of steam-exposed Zircaloy and uranium metal. The metal-water oxidation models are parabolic in form with an Arrhenius temperature dependence. Uranium oxidation begins when fuel cladding failure occurs; Zircaloy oxidation occurs continuously at temperatures above 13000{degree}F when metal and steam are available. From the metal-water reactions, the hydrogen generation rate, total hydrogen release, and temporal and spatial distribution of oxide formations are computed. Consumption of steam from the oxidation reactions and the effect of hydrogen on the coolant properties is modeled for independent coolant flow channels. Fission product release from exposed uranium metal Zircaloy-clad fuel is modeled using empirical time and temperature relationships that consider the release to be subject to oxidation and volitization/diffusion ( bake-out'') release mechanisms. Release of the volatile species of iodine (I), tellurium (Te), cesium (Ce), ruthenium (Ru), strontium (Sr), zirconium (Zr), cerium (Cr), and barium (Ba) from uranium metal fuel may be modeled.

  18. PROCEEDINGS OF THE RIKEN BNL RESEARCH CENTER WORKSHOP ON LARGE SCALE COMPUTATIONS IN NUCLEAR PHYSICS USING THE QCDOC, SEPTEMBER 26 - 28, 2002.

    SciTech Connect

    AOKI,Y.; BALTZ,A.; CREUTZ,M.; GYULASSY,M.; OHTA,S.

    2002-09-26

    The massively parallel computer QCDOC (QCD On a Chip) of the RIKEN BNL Research Center (RI3RC) will provide ten-teraflop peak performance for lattice gauge calculations. Lattice groups from both Columbia University and RBRC, along with assistance from IBM, jointly handled the design of the QCDOC. RIKEN has provided $5 million in funding to complete the machine in 2003. Some fraction of this computer (perhaps as much as 10%) might be made available for large-scale computations in areas of theoretical nuclear physics other than lattice gauge theory. The purpose of this workshop was to investigate the feasibility and possibility of using a supercomputer such as the QCDOC for lattice, general nuclear theory, and other calculations. The lattice applications to nuclear physics that can be investigated with the QCDOC are varied: for example, the light hadron spectrum, finite temperature QCD, and kaon ({Delta}I = 1/2 and CP violation), and nucleon (the structure of the proton) matrix elements, to name a few. There are also other topics in theoretical nuclear physics that are currently limited by computer resources. Among these are ab initio calculations of nuclear structure for light nuclei (e.g. up to {approx}A = 8 nuclei), nuclear shell model calculations, nuclear hydrodynamics, heavy ion cascade and other transport calculations for RHIC, and nuclear astrophysics topics such as exploding supernovae. The physics topics were quite varied, ranging from simulations of stellar collapse by Douglas Swesty to detailed shell model calculations by David Dean, Takaharu Otsuka, and Noritaka Shimizu. Going outside traditional nuclear physics, James Davenport discussed molecular dynamics simulations and Shailesh Chandrasekharan presented a class of algorithms for simulating a wide variety of femionic problems. Four speakers addressed various aspects of theory and computational modeling for relativistic heavy ion reactions at RHIC. Scott Pratt and Steffen Bass gave general overviews of

  19. Impact of structural aging on seismic risk assessment of reinforced concrete structures in nuclear power plants

    SciTech Connect

    Ellingwood, B.; Song, J.

    1996-03-01

    The Structural Aging Program is addressing the potential for degradation of concrete structural components and systems in nuclear power plants over time due to aging and aggressive environmental stressors. Structures are passive under normal operating conditions but play a key role in mitigating design-basis events, particularly those arising from external challenges such as earthquakes, extreme winds, fires and floods. Structures are plant-specific and unique, often are difficult to inspect, and are virtually impossible to replace. The importance of structural failures in accident mitigation is amplified because such failures may lead to common-cause failures of other components. Structural condition assessment and service life prediction must focus on a few critical components and systems within the plant. Components and systems that are dominant contributors to risk and that require particular attention can be identified through the mathematical formalism of a probabilistic risk assessment, or PRA. To illustrate, the role of structural degradation due to aging on plant risk is examined through the framework of a Level 1 seismic PRA of a nuclear power plant. Plausible mechanisms of structural degradation are found to increase the core damage probability by approximately a factor of two.

  20. The computational structural mechanics testbed architecture. Volume 2: The interface

    NASA Technical Reports Server (NTRS)

    Felippa, Carlos A.

    1988-01-01

    This is the third set of five volumes which describe the software architecture for the Computational Structural Mechanics Testbed. Derived from NICE, an integrated software system developed at Lockheed Palo Alto Research Laboratory, the architecture is composed of the command language CLAMP, the command language interpreter CLIP, and the data manager GAL. Volumes 1, 2, and 3 (NASA CR's 178384, 178385, and 178386, respectively) describe CLAMP and CLIP and the CLIP-processor interface. Volumes 4 and 5 (NASA CR's 178387 and 178388, respectively) describe GAL and its low-level I/O. CLAMP, an acronym for Command Language for Applied Mechanics Processors, is designed to control the flow of execution of processors written for NICE. Volume 3 describes the CLIP-Processor interface and related topics. It is intended only for processor developers.

  1. Chaining sequence/structure seeds for computing RNA similarity.

    PubMed

    Bourgeade, Laetitia; Chauve, Cédric; Allali, Julien

    2015-03-01

    We describe a new method to compare a query RNA with a static set of target RNAs. Our method is based on (i) a static indexing of the sequence/structure seeds of the target RNAs; (ii) searching the target RNAs by detecting seeds of the query present in the target, chaining these seeds in promising candidate homologs; and then (iii) completing the alignment using an anchor-based exact alignment algorithm. We apply our method on the benchmark Bralibase2.1 and compare its accuracy and efficiency with the exact method LocARNA and its recent seeds-based speed-up ExpLoc-P. Our pipeline RNA-unchained greatly improves computation time of LocARNA and is comparable to the one of ExpLoc-P, while improving the overall accuracy of the final alignments. PMID:25768236

  2. The computational structural mechanics testbed architecture. Volume 2: Directives

    NASA Technical Reports Server (NTRS)

    Felippa, Carlos A.

    1989-01-01

    This is the second of a set of five volumes which describe the software architecture for the Computational Structural Mechanics Testbed. Derived from NICE, an integrated software system developed at Lockheed Palo Alto Research Laboratory, the architecture is composed of the command language (CLAMP), the command language interpreter (CLIP), and the data manager (GAL). Volumes 1, 2, and 3 (NASA CR's 178384, 178385, and 178386, respectively) describe CLAMP and CLIP and the CLIP-processor interface. Volumes 4 and 5 (NASA CR's 178387 and 178388, respectively) describe GAL and its low-level I/O. CLAMP, an acronym for Command Language for Applied Mechanics Processors, is designed to control the flow of execution of processors written for NICE. Volume 2 describes the CLIP directives in detail. It is intended for intermediate and advanced users.

  3. The computational structural mechanics testbed architecture. Volume 1: The language

    NASA Technical Reports Server (NTRS)

    Felippa, Carlos A.

    1988-01-01

    This is the first set of five volumes which describe the software architecture for the Computational Structural Mechanics Testbed. Derived from NICE, an integrated software system developed at Lockheed Palo Alto Research Laboratory, the architecture is composed of the command language CLAMP, the command language interpreter CLIP, and the data manager GAL. Volumes 1, 2, and 3 (NASA CR's 178384, 178385, and 178386, respectively) describe CLAMP and CLIP, and the CLIP-processor interface. Volumes 4 and 5 (NASA CR's 178387 and 178388, respectively) describe GAL and its low-level I/O. CLAMP, an acronym for Command Language for Applied Mechanics Processors, is designed to control the flow of execution of processors written for NICE. Volume 1 presents the basic elements of the CLAMP language and is intended for all users.

  4. Computational structure analysis of biomacromolecule complexes by interface geometry.

    PubMed

    Mahdavi, Sedigheh; Salehzadeh-Yazdi, Ali; Mohades, Ali; Masoudi-Nejad, Ali

    2013-12-01

    The ability to analyze and compare protein-nucleic acid and protein-protein interaction interface has critical importance in understanding the biological function and essential processes occurring in the cells. Since high-resolution three-dimensional (3D) structures of biomacromolecule complexes are available, computational characterizing of the interface geometry become an important research topic in the field of molecular biology. In this study, the interfaces of a set of 180 protein-nucleic acid and protein-protein complexes are computed to understand the principles of their interactions. The weighted Voronoi diagram of the atoms and the Alpha complex has provided an accurate description of the interface atoms. Our method is implemented in the presence and absence of water molecules. A comparison among the three types of interaction interfaces show that RNA-protein complexes have the largest size of an interface. The results show a high correlation coefficient between our method and the PISA server in the presence and absence of water molecules in the Voronoi model and the traditional model based on solvent accessibility and the high validation parameters in comparison to the classical model. PMID:23850846

  5. Complexity of coherent structures computed from braids of passive particles

    NASA Astrophysics Data System (ADS)

    Budisic, Marko; Thiffeault, Jean-Luc

    2015-11-01

    Transport in fluids can be characterized by tracking passive particles advected by the fluid flow. When particles are distributed densely, as can be achieved in laboratory, the fluid velocity field can be reconstructed through Particle Tracking Velocimetry, enabling computation of Lyapunov exponents or other numerical analyses. When particles are sparse, as in drifter measurements of oceans, the velocity field cannot be reliably reconstructed. Nevertheless, the amount of entanglement of particle paths over time can be used to estimate the dynamical complexity of the flow by computing the Finite-Time Braiding Exponent (FTBE). The technique is based on braid dynamics and measures the rate at which particle motion stretches topological loops, i.e., the ``rubber bands'' enclosing subsets of particles. Allshouse and Thiffeault showed that minimally-stretching loops correspond to the structures coherent under material transport in flows. We extend their work and couple it to the FTBE calculations in order to characterize the spatial distribution of flow complexity. Analysis is demonstrated on the Hackborn rotor-oscillator model, which exhibits regions of chaotic and regular dynamics, and can be realized both numerically and experimentally. Funded by NSF CMMI-1233935.

  6. Computational approaches to selecting and optimising targets for structural biology.

    PubMed

    Overton, Ian M; Barton, Geoffrey J

    2011-09-01

    Selection of protein targets for study is central to structural biology and may be influenced by numerous factors. A key aim is to maximise returns for effort invested by identifying proteins with the balance of biophysical properties that are conducive to success at all stages (e.g. solubility, crystallisation) in the route towards a high resolution structural model. Selected targets can be optimised through construct design (e.g. to minimise protein disorder), switching to a homologous protein, and selection of experimental methodology (e.g. choice of expression system) to prime for efficient progress through the structural proteomics pipeline. Here we discuss computational techniques in target selection and optimisation, with more detailed focus on tools developed within the Scottish Structural Proteomics Facility (SSPF); namely XANNpred, ParCrys, OB-Score (target selection) and TarO (target optimisation). TarO runs a large number of algorithms, searching for homologues and annotating the pool of possible alternative targets. This pool of putative homologues is presented in a ranked, tabulated format and results are also visualised as an automatically generated and annotated multiple sequence alignment. The target selection algorithms each predict the propensity of a selected protein target to progress through the experimental stages leading to diffracting crystals. This single predictor approach has advantages for target selection, when compared with an approach using two or more predictors that each predict for success at a single experimental stage. The tools described here helped SSPF achieve a high (21%) success rate in progressing cloned targets to diffraction-quality crystals. PMID:21906678

  7. Crystal structure of a nuclear actin ternary complex.

    PubMed

    Cao, Tingting; Sun, Lingfei; Jiang, Yuxiang; Huang, Shanjin; Wang, Jiawei; Chen, Zhucheng

    2016-08-01

    Actin polymerizes and forms filamentous structures (F-actin) in the cytoplasm of eukaryotic cells. It also exists in the nucleus and regulates various nucleic acid transactions, particularly through its incorporation into multiple chromatin-remodeling complexes. However, the specific structure of actin and the mechanisms that regulate its polymeric nature inside the nucleus remain unknown. Here, we report the crystal structure of nuclear actin (N-actin) complexed with actin-related protein 4 (Arp4) and the helicase-SANT-associated (HSA) domain of the chromatin remodeler Swr1. The inner face and barbed end of N-actin are sequestered by interactions with Arp4 and the HSA domain, respectively, which prevents N-actin from polymerization and binding to many actin regulators. The two major domains of N-actin are more twisted than those of globular actin (G-actin), and its nucleotide-binding pocket is occluded, freeing N-actin from binding to and regulation by ATP. These findings revealed the salient structural features of N-actin that distinguish it from its cytoplasmic counterpart and provide a rational basis for its functions and regulation inside the nucleus. PMID:27457955

  8. Current Computational Challenges for CMC Processes, Properties, and Structures

    NASA Technical Reports Server (NTRS)

    DiCarlo, James

    2008-01-01

    environment. To put these computational issues in perspective, the various modeling needs within these three areas are briefly discussed in terms of their technical importance and their key controlling mechanistic factors as we know them today. Emphasis is placed primarily on the SiC/SiC ceramic composite system because of its higher temperature capability and enhanced development within the CMC industry. A brief summary is then presented concerning on-going property studies aimed at addressing these CMC modeling needs within NASA in terms of their computational approaches and recent important results. Finally an overview perspective is presented on those key areas where further CMC computational studies are needed today to enhance the viability of CMC structural components for high-temperature applications.

  9. Selectivity in ligand binding to uranyl compounds: A synthetic, structural, thermodynamic and computational study

    SciTech Connect

    Arnold, John

    2015-01-21

    The uranyl cation (UO₂²⁺) is the most abundant form of uranium on the planet. It is estimated that 4.5 billion tons of uranium in this form exist in sea water. The ability to bind and extract the uranyl cation from aqueous solution while separating it from other elements would provide a limitless source of nuclear fuel. A large body of research concerns the selective recognition and extraction of uranyl. A stable molecule, the cation has a linear O=U=O geometry. The short U-O bonds (1.78 Å) arise from the combination of uranium 5f/6d and oxygen 2p orbitals. Due to the oxygen moieties being multiply bonded, these sites were not thought to be basic enough for Lewis acidic coordination to be a viable approach to sequestration. The goal of this research is thus to broaden the coordination chemistry of the uranyl ion by studying new ligand systems via synthetic, structural, thermodynamic and computational methods. It is anticipated that this fundamental science will find use beyond actinide separation technologies in areas such as nuclear waste remediation and nuclear materials. The focus of this study is to synthesize uranyl complexes incorporating amidinate and guanidinate ligands. Both synthetic and computational methods are used to investigate novel equatorial ligand coordination and how this affects the basicity of the oxo ligands. Such an understanding will later apply to designing ligands incorporating functionalities that can bind uranyl both equatorially and axially for highly selective sequestration. Efficient and durable chromatography supports for lanthanide separation will be generated by (1) identifying robust peptoid-based ligands capable of binding different lanthanides with variable affinities, and (2) developing practical synthetic methods for the attachment of these ligands to Dowex ion exchange resins.

  10. Virtual ultrasound sources for inspecting nuclear components of coarse-grained structure

    SciTech Connect

    Brizuela, J.; Katchadjian, P.; Desimone, C.; Garcia, A.

    2014-02-18

    This work describes an ultrasonic inspection procedure designed for verifying coarse-grained structure materials, which are commonly used on nuclear reactors. In this case, conventional phased array techniques cannot be used due to attenuating characteristics and backscattered noise from microstructures inside the material. Thus, synthetic aperture ultrasonic imaging (SAFT) is used for this approach in contact conditions. In order to increase energy transferred to the medium, synthetic transmit aperture is formed by several elements which generate a diverging wavefront equivalent to a virtual ultrasound source behind the transducer. On the other hand, the phase coherence technique has been applied to reduce more structural noise and improve the image quality. The beamforming process has been implemented over a GPU platform to reduce computing time.

  11. Protein 3D Structure Computed from Evolutionary Sequence Variation

    PubMed Central

    Sheridan, Robert; Hopf, Thomas A.; Pagnani, Andrea; Zecchina, Riccardo; Sander, Chris

    2011-01-01

    The evolutionary trajectory of a protein through sequence space is constrained by its function. Collections of sequence homologs record the outcomes of millions of evolutionary experiments in which the protein evolves according to these constraints. Deciphering the evolutionary record held in these sequences and exploiting it for predictive and engineering purposes presents a formidable challenge. The potential benefit of solving this challenge is amplified by the advent of inexpensive high-throughput genomic sequencing. In this paper we ask whether we can infer evolutionary constraints from a set of sequence homologs of a protein. The challenge is to distinguish true co-evolution couplings from the noisy set of observed correlations. We address this challenge using a maximum entropy model of the protein sequence, constrained by the statistics of the multiple sequence alignment, to infer residue pair couplings. Surprisingly, we find that the strength of these inferred couplings is an excellent predictor of residue-residue proximity in folded structures. Indeed, the top-scoring residue couplings are sufficiently accurate and well-distributed to define the 3D protein fold with remarkable accuracy. We quantify this observation by computing, from sequence alone, all-atom 3D structures of fifteen test proteins from different fold classes, ranging in size from 50 to 260 residues., including a G-protein coupled receptor. These blinded inferences are de novo, i.e., they do not use homology modeling or sequence-similar fragments from known structures. The co-evolution signals provide sufficient information to determine accurate 3D protein structure to 2.7–4.8 Å Cα-RMSD error relative to the observed structure, over at least two-thirds of the protein (method called EVfold, details at http://EVfold.org). This discovery provides insight into essential interactions constraining protein evolution and will facilitate a comprehensive survey of the universe of protein

  12. Nuclear Technology Series. Course 29: Civil/Structural Inspection.

    ERIC Educational Resources Information Center

    Center for Occupational Research and Development, Inc., Waco, TX.

    This technical specialty course is one of thirty-five courses designed for use by two-year postsecondary institutions in five nuclear technician curriculum areas: (1) radiation protection technician, (2) nuclear instrumentation and control technician, (3) nuclear materials processing technician, (4) nuclear quality-assurance/quality-control…

  13. PREFACE: International Conference on Computing in High Energy and Nuclear Physics (CHEP'09)

    NASA Astrophysics Data System (ADS)

    Gruntorad, Jan; Lokajicek, Milos

    2010-11-01

    The 17th International Conference on Computing in High Energy and Nuclear Physics (CHEP) was held on 21-27 March 2009 in Prague, Czech Republic. CHEP is a major series of international conferences for physicists and computing professionals from the worldwide High Energy and Nuclear Physics community, Computer Science, and Information Technology. The CHEP conference provides an international forum to exchange information on computing experience and needs for the community, and to review recent, ongoing and future activities. Recent conferences were held in Victoria, Canada 2007, Mumbai, India in 2006, Interlaken, Switzerland in 2004, San Diego, USA in 2003, Beijing, China in 2001, Padua, Italy in 2000. The CHEP'09 conference had 600 attendees with a program that included plenary sessions of invited oral presentations, a number of parallel sessions comprising 200 oral and 300 poster presentations, and an industrial exhibition. We thanks all the presenters, for the excellent scientific content of their contributions to the conference. Conference tracks covered topics on Online Computing, Event Processing, Software Components, Tools and Databases, Hardware and Computing Fabrics, Grid Middleware and Networking Technologies, Distributed Processing and Analysis and Collaborative Tools. The conference included excursions to Prague and other Czech cities and castles and a banquet held at the Zofin palace in Prague. The next CHEP conference will be held in Taipei, Taiwan on 18-22 October 2010. We would like thank the Ministry of Education Youth and Sports of the Czech Republic and the EU ACEOLE project for the conference support, further to commercial sponsors, the International Advisory Committee, the Local Organizing Committee members representing the five collaborating Czech institutions Jan Gruntorad (co-chair), CESNET, z.s.p.o., Prague Andrej Kugler, Nuclear Physics Institute AS CR v.v.i., Rez Rupert Leitner, Charles University in Prague, Faculty of Mathematics and

  14. PREFACE: International Conference on Computing in High Energy and Nuclear Physics (CHEP 2012)

    NASA Astrophysics Data System (ADS)

    Ernst, Michael; Düllmann, Dirk; Rind, Ofer; Wong, Tony

    2012-12-01

    The International Conference on Computing in High Energy and Nuclear Physics (CHEP) was held at New York University on 21- 25 May 2012. CHEP is a major series of international conferences for physicists and computing professionals from the High Energy and Nuclear Physics community and related scientific and technical fields. The CHEP conference provides a forum to exchange information on computing progress and needs for the community, and to review recent, ongoing and future activities. CHEP conferences are held at roughly 18-month intervals, alternating between Europe, Asia, the Americas and other parts of the world. Recent CHEP conferences have been held in Taipei, Taiwan (2010); Prague, Czech Republic (2009); Victoria, Canada (2007); Mumbai, India (2006); Interlaken, Switzerland (2004); San Diego, United States (2003); Beijing, China (2001); Padova, Italy (2000). CHEP 2012 was organized by Brookhaven National Laboratory (BNL) and co-sponsored by New York University. The organizational structure for CHEP consists of an International Advisory Committee (IAC) which sets the overall themes of the conference, a Program Organizing Committee (POC) that oversees the program content, and a Local Organizing Committee (LOC) that is responsible for local arrangements (lodging, transportation and social events) and conference logistics (registration, program scheduling, conference site selection and conference proceedings). There were over 500 attendees with a program that included plenary sessions of invited speakers, a number of parallel sessions comprising around 125 oral and 425 poster presentations and industrial exhibitions. We thank all the presenters for the excellent scientific content of their contributions to the conference. Conference tracks covered topics on Online Computing, Event Processing, Distributed Processing and Analysis on Grids and Clouds, Computer Facilities, Production Grids and Networking, Software Engineering, Data Stores and Databases and

  15. Ab Initio Nuclear Structure and Reaction Calculations for Rare Isotopes

    SciTech Connect

    Draayer, Jerry P.

    2014-09-28

    We have developed a novel ab initio symmetry-adapted no-core shell model (SA-NCSM), which has opened the intermediate-mass region for ab initio investigations, thereby providing an opportunity for first-principle symmetry-guided applications to nuclear structure and reactions for nuclear isotopes from the lightest p-shell systems to intermediate-mass nuclei. This includes short-lived proton-rich nuclei on the path of X-ray burst nucleosynthesis and rare neutron-rich isotopes to be produced by the Facility for Rare Isotope Beams (FRIB). We have provided ab initio descriptions of high accuracy for low-lying (including collectivity-driven) states of isotopes of Li, He, Be, C, O, Ne, Mg, Al, and Si, and studied related strong- and weak-interaction driven reactions that are important, in astrophysics, for further understanding stellar evolution, X-ray bursts and triggering of s, p, and rp processes, and in applied physics, for electron and neutrino-nucleus scattering experiments as well as for fusion ignition at the National Ignition Facility (NIF).

  16. Pseudospin symmetry in nuclear structure and its supersymmetric representation

    NASA Astrophysics Data System (ADS)

    Liang, H. Z.

    2016-08-01

    The quasi-degeneracy between the single-particle states (n,l,j=l+1/2) and (n-1,l+2,j=l+3/2) indicates a special and hidden symmetry in atomic nuclei—the so-called pseudospin symmetry (PSS)—which is an important concept in both spherical and deformed nuclei. A number of phenomena in nuclear structure have been successfully interpreted directly or implicitly by this symmetry, including nuclear superdeformed configurations, identical bands, quantized alignment, pseudospin partner bands, and so on. Since the PSS was recognized as a relativistic symmetry in 1990s, there have been comprehensive efforts to understand its properties in various systems and potentials. In this review, we mainly focus on the latest progress on the supersymmetric (SUSY) representation of PSS, and one of the key targets is to understand its symmetry-breaking mechanism in realistic nuclei in a quantitative and perturbative way. The SUSY quantum mechanics and its applications to the SU(2) and U(3) symmetries of the Dirac Hamiltonian are discussed in detail. It is shown that the origin of PSS and its symmetry-breaking mechanism, which are deeply hidden in the origin Hamiltonian, can be traced by its SUSY partner Hamiltonian. Essential open questions, such as the SUSY representation of PSS in the deformed system, are pointed out.

  17. Nonlocalized clustering: a new concept in nuclear cluster structure physics.

    PubMed

    Zhou, Bo; Funaki, Y; Horiuchi, H; Ren, Zhongzhou; Röpke, G; Schuck, P; Tohsaki, A; Xu, Chang; Yamada, T

    2013-06-28

    We investigate the α+^{16}O cluster structure in the inversion-doublet band (Kπ=0(1)±}) states of 20Ne with an angular-momentum-projected version of the Tohsaki-Horiuchi-Schuck-Röpke (THSR) wave function, which was successful "in its original form" for the description of, e.g., the famous Hoyle state. In contrast with the traditional view on clusters as localized objects, especially in inversion doublets, we find that these single THSR wave functions, which are based on the concept of nonlocalized clustering, can well describe the Kπ=0(1)- band and the Kπ=0(1)+ band. For instance, they have 99.98% and 99.87% squared overlaps for 1- and 3- states (99.29%, 98.79%, and 97.75% for 0+, 2+, and 4+ states), respectively, with the corresponding exact solution of the α+16O resonating group method. These astounding results shed a completely new light on the physics of low energy nuclear cluster states in nuclei: The clusters are nonlocalized and move around in the whole nuclear volume, only avoiding mutual overlap due to the Pauli blocking effect. PMID:23848866

  18. 77 FR 50722 - Software Unit Testing for Digital Computer Software Used in Safety Systems of Nuclear Power Plants

    Federal Register 2010, 2011, 2012, 2013, 2014

    2012-08-22

    ...The U.S. Nuclear Regulatory Commission (NRC or the Commission) is issuing for public comment draft regulatory guide (DG), DG-1208, ``Software Unit Testing for Digital Computer Software used in Safety Systems of Nuclear Power Plants.'' The DG-1208 is proposed Revision 1 of RG 1.171, dated September 1997. This revision endorses, with clarifications, the enhanced consensus practices for testing......

  19. 77 FR 50720 - Test Documentation for Digital Computer Software Used in Safety Systems of Nuclear Power Plants

    Federal Register 2010, 2011, 2012, 2013, 2014

    2012-08-22

    ...The U.S. Nuclear Regulatory Commission (NRC or the Commission) is issuing for public comment draft regulatory guide (DG), DG-1207, ``Test Documentation for Digital Computer Software used in Safety Systems of Nuclear Power Plants.'' The DG-1207 is proposed Revision 1 of RG 1.170, dated September 1997. This revision endorses, with clarifications, the enhanced consensus practices for test......

  20. The relation IBM/PC nuclear structure and decay data base

    SciTech Connect

    Boboshin, I.N.; Varlamov, V.V.; Trukhanov, S.K.

    1994-12-31

    The Evaluated Nuclear Structure Data File (ENSDF) is now apparently one of the most complete nuclear structure and decay data bank. The most important characteristics from ENSDF are the following: for levels - excitation energy, spin, parity, half-life time, decay branching ratio, electric and magnetic moment; for gamma-transitions -energy, intensity, multipolarity, mixing ratio, for alpha- and beta-decays - energy and itensity. The high frequency personal computers (PC) dissemination, the development of data base management systems (DBMS) with advanced interface and convenient and power required languages allow to put the problem of creation of the universal data base (DB) using the ENSDF information. At bottom the point is in the ENSDF data adaptation to such DBMS in such manner that all possible requests to the ENSDF set to be completely exceeded by the standard resources of DBMS> The data base management system PARADOX (trade mark registered by Borland International) was chosen as a program tool for new universal data base on decay and structure of nuclei.

  1. Structural integrity analysis of the degraded drywell containment at the Oyster Creek Nuclear generating station.

    SciTech Connect

    Petti, Jason P.

    2007-01-01

    This study examines the effects of the degradation experienced in the steel drywell containment at the Oyster Creek Nuclear Generating Station. Specifically, the structural integrity of the containment shell is examined in terms of the stress limits using the ASME Boiler and Pressure Vessel (B&PV) Code, Section III, Division I, Subsection NE, and examined in terms of buckling (stability) using the ASME B&PV Code Case N-284. Degradation of the steel containment shell (drywell) at Oyster Creek was first observed during an outage in the mid-1980s. Subsequent inspections discovered reductions in the shell thickness due to corrosion throughout the containment. Specifically, significant corrosion occurred in the sandbed region of the lower sphere. Since the presence of the wet sand provided an environment which supported corrosion, a series of analyses were conducted by GE Nuclear Energy in the early 1990s. These analyses examined the effects of the degradation on the structural integrity. The current study adopts many of the same assumptions and data used in the previous GE study. However, the additional computational recourses available today enable the construction of a larger and more sophisticated structural model.

  2. Multiphysics Computational Analysis of a Solid-Core Nuclear Thermal Engine Thrust Chamber

    NASA Technical Reports Server (NTRS)

    Wang, Ten-See; Canabal, Francisco; Cheng, Gary; Chen, Yen-Sen

    2007-01-01

    The objective of this effort is to develop an efficient and accurate computational heat transfer methodology to predict thermal, fluid, and hydrogen environments for a hypothetical solid-core, nuclear thermal engine - the Small Engine. In addition, the effects of power profile and hydrogen conversion on heat transfer efficiency and thrust performance were also investigated. The computational methodology is based on an unstructured-grid, pressure-based, all speeds, chemically reacting, computational fluid dynamics platform, while formulations of conjugate heat transfer were implemented to describe the heat transfer from solid to hydrogen inside the solid-core reactor. The computational domain covers the entire thrust chamber so that the afore-mentioned heat transfer effects impact the thrust performance directly. The result shows that the computed core-exit gas temperature, specific impulse, and core pressure drop agree well with those of design data for the Small Engine. Finite-rate chemistry is very important in predicting the proper energy balance as naturally occurring hydrogen decomposition is endothermic. Locally strong hydrogen conversion associated with centralized power profile gives poor heat transfer efficiency and lower thrust performance. On the other hand, uniform hydrogen conversion associated with a more uniform radial power profile achieves higher heat transfer efficiency, and higher thrust performance.

  3. An overview of the activities of the OECD/NEA Task Force on adapting computer codes in nuclear applications to parallel architectures

    SciTech Connect

    Kirk, B.L.; Sartori, E.

    1997-06-01

    Subsequent to the introduction of High Performance Computing in the developed countries, the Organization for Economic Cooperation and Development/Nuclear Energy Agency (OECD/NEA) created the Task Force on Adapting Computer Codes in Nuclear Applications to Parallel Architectures (under the guidance of the Nuclear Science Committee`s Working Party on Advanced Computing) to study the growth area in supercomputing and its applicability to the nuclear community`s computer codes. The result has been four years of investigation for the Task Force in different subject fields - deterministic and Monte Carlo radiation transport, computational mechanics and fluid dynamics, nuclear safety, atmospheric models and waste management.

  4. Demonstrating Structural Adequacy of Nuclear Power Plant Containment Structures for Beyond Design-Basis Pressure Loadings

    SciTech Connect

    Braverman, J.I.; Morante, R.

    2010-07-18

    ABSTRACT Demonstrating the structural integrity of U.S. nuclear power plant (NPP) containment structures, for beyond design-basis internal pressure loadings, is necessary to satisfy Nuclear Regulatory Commission (NRC) requirements and performance goals. This paper discusses methods for demonstrating the structural adequacy of the containment for beyond design-basis pressure loadings. Three distinct evaluations are addressed: (1) estimating the ultimate pressure capacity of the containment structure (10 CFR 50 and US NRC Standard Review Plan, Section 3.8) ; (2) demonstrating the structural adequacy of the containment subjected to pressure loadings associated with combustible gas generation (10 CFR 52 and 10 CFR 50); and (3) demonstrating the containment structural integrity for severe accidents (10 CFR 52 as well as SECY 90-016, SECY 93-087, and related NRC staff requirements memoranda (SRMs)). The paper describes the technical basis for specific aspects of the methods presented. It also presents examples of past issues identified in licensing activities related to these evaluations.

  5. Extending the lifespan of nuclear power plant structures

    SciTech Connect

    Naus, D.J.; Oland, C.B.; Ellingwood, B.

    1995-04-01

    By the end of this decade, 63 of the 111 commercial nuclear power plants in the United States will be more than 20 years old, with some nearing the end of their 40-year operating license term. Faced with the prospect of having to replace lost generating capacity from other sources and substantial shutdown and decommissioning costs, many utilities are expected to apply to continue the service of their plants past the initial licensing period. In support of such applications, evidence should be provided that the capacity of the safety-related systems and structures to mitigate potential extreme events has not deteriorated unacceptably due to either aging or environmental stressor effects during the previous service history.

  6. Assessment of computer codes for VVER-440/213-type nuclear power plants

    SciTech Connect

    Szabados, L.; Ezsol, Gy.; Perneczky

    1995-09-01

    Nuclear power plant of VVER-440/213 designed by the former USSR have a number of special features. As a consequence of these features the transient behaviour of such a reactor system should be different from the PWR system behaviour. To study the transient behaviour of the Hungarian Paks Nuclear Power Plant of VVER-440/213-type both analytical and experimental activities have been performed. The experimental basis of the research in the PMK-2 integral-type test facility , which is a scaled down model of the plant. Experiments performed on this facility have been used to assess thermal-hydraulic system codes. Four tests were selected for {open_quotes}Standard Problem Exercises{close_quotes} of the International Atomic Energy Agency. Results of the 4th Exercise, of high international interest, are presented in the paper, focusing on the essential findings of the assessment of computer codes.

  7. Interactive computer graphics system for structural sizing and analysis of aircraft structures

    NASA Technical Reports Server (NTRS)

    Bendavid, D.; Pipano, A.; Raibstein, A.; Somekh, E.

    1975-01-01

    A computerized system for preliminary sizing and analysis of aircraft wing and fuselage structures was described. The system is based upon repeated application of analytical program modules, which are interactively interfaced and sequence-controlled during the iterative design process with the aid of design-oriented graphics software modules. The entire process is initiated and controlled via low-cost interactive graphics terminals driven by a remote computer in a time-sharing mode.

  8. Nuclear structure and heavy-ion fusion. [Lecture

    SciTech Connect

    Stokstad, R.G.

    1980-10-01

    A series of lectures is presented on experimental studies of heavy-ion fusion reactions with emphasis on the role of nuclear structure in the fusion mechanism. The experiments considered are of three types: the fusion of lighter heavy ions at subcoulomb energies is studied with in-beam ..gamma..-ray techniques; the subbarrier fusion of /sup 16/O and /sup 40/Ar with the isotopes of samarium is detected out of beam by x-radiation from delayed activity; and measurements at very high energies, again for the lighter ions, employ direct particle identification of evaporation residues. The experimental data are compared with predictions based on the fusion of two spheres with the only degree of freedom being the separation of the centers, and which interact via potentials that vary smoothly with changes in the mass and charge of the projectile and target. The data exhibit with the isotopes of samarium, a portion of these deviations can be understood in terms of the changing deformation of the target nucleus, but an additional degree of freedom such as neck formation appears necessary. The results on /sup 10/B + /sup 16/O and /sup 12/C + /sup 14/N ..-->.. /sup 26/Al at high bombarding energies indicate a maximum limiting angular momentum characteristic of the compound nucleus. At lower energies the nuclear structure of the colliding ion seems to affect strongly the cross section for fusion. Measurements made at subbarrier energies for a variety of projectile-target combinations in the 1p and 2s - 1d shell also indicate that the valence nucleons can affect the energy dependence for fusion. About half the systems studied so far have structureless excitation functions which follow a standard prediction. The other half exhibit large variations from this prediction. The possible importance of neutron transfer is discussed. The two-center shell model appears as a promising approach for gaining a qualitative understanding of these phenomena. 95 references, 52 figures, 1 table.

  9. [Electromagnetic studies of nuclear structure and reactions]. Progress summary

    SciTech Connect

    Not Available

    1992-12-31

    The experimental goals are focused on developing an understanding of strong interactions and the structure of hadronic systems by determination of the electromagnetic response; these goals will be accomplished through coincidence detection of final states. Nuclear modeling objectives are to organize and interpret the data through a consistent description of a broad spectrum of reaction observables; calculations are performed in a nonrelativistic diagrammatic framework as well as a relativistic QHD approach. Work is described according to the following arrangement: direct knockout reactions (completion of {sup 16}O(e,e{prime}p), {sup 12}C(e,e{prime}pp) progress, large acceptance detector physics simulations), giant resonance studies (intermediate-energy experiments with solid-state detectors, the third response function in {sup 12}C(e,e{prime}p{sub 0}) and {sup 16}O(e,e{prime}p{sub 0}), comparison of the {sup 12}C(e, e{prime}p{sub 0}) and {sup 16}O(e,e{prime}p{sub 3}) reactions, quadrupole strength in the {sup 16}O(e,e{prime}{alpha}{sub 0}) reaction, quadrupole strength in the {sup 12}C(e,e{prime}{alpha}) reaction, analysis of the {sup 12}C(e,e{prime}p{sub 1}) and {sup 16}O(e,e{prime}p{sub 3}) angular distributions, analysis of the {sup 40}Ca(e,e{prime}x) reaction at low q, analysis of the higher-q {sup 12}C(e,e{prime}x) data from Bates), models of nuclear structure (experimental work, Hartree-Fock calculations, phonon excitations in spherical nuclei, shell model calculations, variational methods for relativistic fields), and instrumentation development efforts (developments at CEBAF, CLAS contracts, BLAST developments).

  10. Assessment of radiation dose in nuclear cardiovascular imaging using realistic computational models

    SciTech Connect

    Xie, Tianwu; Lee, Choonsik; Bolch, Wesley E.; Zaidi, Habib

    2015-06-15

    Purpose: Nuclear cardiology plays an important role in clinical assessment and has enormous impact on the management of a variety of cardiovascular diseases. Pediatric patients at different age groups are exposed to a spectrum of radiation dose levels and associated cancer risks different from those of adults in diagnostic nuclear medicine procedures. Therefore, comprehensive radiation dosimetry evaluations for commonly used myocardial perfusion imaging (MPI) and viability radiotracers in target population (children and adults) at different age groups are highly desired. Methods: Using Monte Carlo calculations and biological effects of ionizing radiation VII model, we calculate the S-values for a number of radionuclides (Tl-201, Tc-99m, I-123, C-11, N-13, O-15, F-18, and Rb-82) and estimate the absorbed dose and effective dose for 12 MPI radiotracers in computational models including the newborn, 1-, 5-, 10-, 15-yr-old, and adult male and female computational phantoms. Results: For most organs, {sup 201}Tl produces the highest absorbed dose whereas {sup 82}Rb and {sup 15}O-water produce the lowest absorbed dose. For the newborn baby and adult patient, the effective dose of {sup 82}Rb is 48% and 77% lower than that of {sup 99m}Tc-tetrofosmin (rest), respectively. Conclusions: {sup 82}Rb results in lower effective dose in adults compared to {sup 99m}Tc-labeled tracers. However, this advantage is less apparent in children. The produced dosimetric databases for various radiotracers used in cardiovascular imaging, using new generation of computational models, can be used for risk-benefit assessment of a spectrum of patient population in clinical nuclear cardiology practice.

  11. Derivative-free optimization for parameter estimation in computational nuclear physics

    NASA Astrophysics Data System (ADS)

    Wild, Stefan M.; Sarich, Jason; Schunck, Nicolas

    2015-03-01

    We consider optimization problems that arise when estimating a set of unknown parameters from experimental data, particularly in the context of nuclear density functional theory. We examine the cost of not having derivatives of these functionals with respect to the parameters. We show that the POUNDERS code for local derivative-free optimization obtains consistent solutions on a variety of computationally expensive energy density functional calibration problems. We also provide a primer on the operation of the POUNDERS software in the Toolkit for advanced optimization.

  12. High Performance Computing and Storage Requirements for Nuclear Physics: Target 2017

    SciTech Connect

    Gerber, Richard; Wasserman, Harvey

    2015-01-20

    In April 2014, NERSC, ASCR, and the DOE Office of Nuclear Physics (NP) held a review to characterize high performance computing (HPC) and storage requirements for NP research through 2017. This review is the 12th in a series of reviews held by NERSC and Office of Science program offices that began in 2009. It is the second for NP, and the final in the second round of reviews that covered the six Office of Science program offices. This report is the result of that review

  13. Nuclear Engineering Computer Models for In-Core Fuel Management Analysis.

    1992-06-12

    Version 00 VPI-NECM is a nuclear engineering computer system of modules for in-core fuel management analysis. The system consists of 6 independent programs designed to calculate: (1) FARCON - neutron slowing down and epithermal group constants, (2) SLOCON - thermal neutron spectrum and group constants, (3) DISFAC - slow neutron disadvantage factors, (4) ODOG - solution of a one group neutron diffusion equation, (5) ODMUG - three group criticality problem, (6) FUELBURN - fuel burnupmore » in slow neutron fission reactors.« less

  14. Nuclear magnetic resonance inverse spectra of InGaAs quantum dots: Atomistic level structural information

    NASA Astrophysics Data System (ADS)

    Bulutay, Ceyhun; Chekhovich, E. A.; Tartakovskii, A. I.

    2014-11-01

    A wealth of atomistic information is contained within a self-assembled quantum dot (QD), associated with its chemical composition and the growth history. In the presence of quadrupolar nuclei, as in InGaAs QDs, much of this is inherited to nuclear spins via the coupling between the strain within the polar lattice and the electric quadrupole moments of the nuclei. Here, we present a computational study of the recently introduced inverse spectra nuclear magnetic resonance technique to assess its suitability for extracting such structural information. We observe marked spectral differences between the compound InAs and alloy InGaAs QDs. These are linked to the local biaxial and shear strains, and the local bonding configurations. The cation alloying plays a crucial role especially for the arsenic nuclei. The isotopic line profiles also largely differ among nuclear species: While the central transition of the gallium isotopes have a narrow linewidth, those of arsenic and indium are much broader and oppositely skewed with respect to each other. The statistical distributions of electric field gradient (EFG) parameters of the nuclei within the QD are analyzed. The consequences of various EFG axial orientation characteristics are discussed. Finally, the possibility of suppressing the first-order quadrupolar shifts is demonstrated by simply tilting the sample with respect to the static magnetic field.

  15. Environmental data personal computer documentation programs at Oyster Creek nuclear generating station

    SciTech Connect

    Schwartz, P.E.

    1989-01-01

    With most of the scientific world becoming computer oriented, the method to provide the quickest flow of uninterrupted data is over a single hardware/software system. The personal computer (PC), IBM-compatible, has allowed data interaction in an expeditious manner, GPU Nuclear has successfully applied this theory to its Radiological Environmental Monitoring Program (REMP) and has not only increased productivity and its vast data base, but decreased the amount of time required for field surveys and data analysis, and most important, lessened the dependence on manual intervention by the scientist and increased organization of the data base. The paper discusses filed collection and environmental data review including thermoluminescent dosimetry results, gamma and nongamma results, and global review.

  16. NUCLEAR REACTION AND STRUCTURE DATABASES OF THE NATIONAL NUCLEAR DATA CENTER.

    SciTech Connect

    PRITYCHENKO, B.; HERMAN, M.W.; MUGHABGHAB, S.F.; OBLOZINSKY, P.; SONZOGNI, A.A.

    2006-06-23

    We discuss nuclear data resources of the National Nuclear Data Center (NNDC) of relevance to nuclear astrophysics applications. These resources include databases, tools and powerful web service at www.nndc.bnl.gov. Our objective is to provide an overview of nuclear databases, related products and demonstrate nuclear astrophysics potential of the ENDF/B-VII beta2 library. A detailed discussion on the Maxwellian neutron capture cross sections obtained from the ENDF/B-VII beta2 library is presented.

  17. Physics with gamma-beams and charged particle detectors: I) Nuclear structure II) Nuclear astrophysics

    SciTech Connect

    Gai, Moshe

    2015-02-24

    The Charged Particle Working Group (CPWG) is proposing to construct large area Silicon Strip Detector (SSD), a gas Time Projection Chamber detector read by an electronic readout system (eTPC) and a Bubble Chamber (BC) containing superheated high purity water to be used in measurements utilizing intense gamma-ray beams from the newly constructed ELI-NP facility at Magurele, Bucharest in Romania. We intend to use the SSD and eTPC detectors to address essential problems in nuclear structure physics, such as clustering and the many alpha-decay of light nuclei such as {sup 12}C and {sup 16}O. All three detectors (SSD, eTPC and BC) will be used to address central problems in nuclear astrophysics such as the astrophysical cross section factor of the {sup 12}C(α,γ) reaction and other processes central to stellar evolution. The CPWG intends to submit to the ELI-NP facility a Technical Design Report (TDR) for the proposed detectors.

  18. Physics with gamma-beams and charged particle detectors: I) Nuclear structure II) Nuclear astrophysics

    NASA Astrophysics Data System (ADS)

    Gai, Moshe

    2015-02-01

    The Charged Particle Working Group (CPWG) is proposing to construct large area Silicon Strip Detector (SSD), a gas Time Projection Chamber detector read by an electronic readout system (eTPC) and a Bubble Chamber (BC) containing superheated high purity water to be used in measurements utilizing intense gamma-ray beams from the newly constructed ELI-NP facility at Magurele, Bucharest in Romania. We intend to use the SSD and eTPC detectors to address essential problems in nuclear structure physics, such as clustering and the many alpha-decay of light nuclei such as 12C and 16O . All three detectors (SSD, eTPC and BC) will be used to address central problems in nuclear astrophysics such as the astrophysical cross section factor of the 12C (α,γ) reaction and other processes central to stellar evolution. The CPWG intends to submit to the ELI-NP facility a Technical Design Report (TDR) for the proposed detectors.

  19. Activities in support of continuing the service of nuclear power plant concrete structures

    SciTech Connect

    Naus, Dan J

    2012-01-01

    In general, nuclear power plant concrete structure s performance has been very good; however, aging of concrete structures occurs with the passage of time that can potentially result in degradation if is effects are not controlled. Safety-related nuclear power plant concrete structures are described. In-service inspection and testing requirements in the U.S. are summarized. The interaction of the license renewal process and concrete structures is noted. A summary of operating experience related to aging of nuclear power plant concrete structures is provided. Several candidate areas are identified where additional research would be beneficial for aging management of nuclear power plant concrete structures. Finally, an update on recent activities at Oak Ridge National Laboratory related to aging management of nuclear power plant concrete structures is provided.

  20. Analysis of Piezoelectric Structural Sensors with Emergent Computing Techniques

    NASA Technical Reports Server (NTRS)

    Ramers, Douglas L.

    2005-01-01

    The purpose of this project was to try to interpret the results of some tests that were performed earlier this year and to demonstrate a possible use of emergence in computing to solve IVHM problems. The test data used was collected with piezoelectric sensors to detect mechanical changes in structures. This project team was included of Dr. Doug Ramers and Dr. Abdul Jallob of the Summer Faculty Fellowship Program, Arnaldo Colon-Lopez - a student intern from the University of Puerto Rico of Turabo, and John Lassister and Bob Engberg of the Structural and Dynamics Test Group. The tests were performed by Bob Engberg to compare the performance two types of piezoelectric (piezo) sensors, Pb(Zr(sub 1-1)Ti(sub x))O3, which we will label PZT, and Pb(Zn(sub 1/3)Nb(sub 2/3))O3-PbTiO, which we will label SCP. The tests were conducted under varying temperature and pressure conditions. One set of tests was done by varying water pressure inside an aluminum liner covered with carbon-fiber composite layers (a cylindrical "bottle" with domed ends) and the other by varying temperatures down to cryogenic levels on some specially prepared composite panels. This report discusses the data from the pressure study. The study of the temperature results was not completed in time for this report. The particular sensing done with these piezo sensors is accomplished by the sensor generating an controlled vibration that is transmitted into the structure to which the sensor is attached, and the same sensor then responding to the induced vibration of the structure. There is a relationship between the mechanical impedance of the structure and the resulting electrical impedance produced in the in the piezo sensor. The impedance is also a function of the excitation frequency. Changes in the real part of impendance signature relative to an original reference signature indicate a change in the coupled structure that could be the results of damage or strain. The water pressure tests were conducted by

  1. Structural and Functional Insight into Proliferating Cell Nuclear Antigen.

    PubMed

    Park, So Young; Jeong, Mi Suk; Han, Chang Woo; Yu, Hak Sun; Jang, Se Bok

    2016-04-28

    Proliferating cell nuclear antigen (PCNA) is a critical eukaryotic replication accessory factor that supports DNA binding in DNA processing, such as DNA replication, repair, and recombination. PCNA consists of three toroidal-shaped monomers that encircle doublestranded DNA. The diverse functions of PCNA may be regulated by its interactions with partner proteins. Many of the PCNA partner proteins generally have a conserved PCNAinteracting peptide (PIP) motif, located at the N- or C- terminal region. The PIP motif forms a 310 helix that enters into the hydrophobic groove produced by an interdomain-connecting loop, a central loop, and a C-terminal tail in the PCNA. Post-translational modification of PCNA also plays a critical role in regulation of its function and binding partner proteins. Structural and biochemical studies of PCNA-protein will be useful in designing therapeutic agents, as well as estimating the outcome of anticancer drug development. This review summarizes the characterization of eukaryotic PCNA in relation to the protein structures, functions, and modifications, and interaction with proteins. PMID:26699741

  2. [Electromagnetic studies of nuclear structure and reactions]. [Nuclear Physics Group, Univ. of New Hampshire

    SciTech Connect

    Not Available

    1992-01-01

    The experimental goals are focused on developing an understanding of strong interactions and the structure of hadronic systems by determination of the electromagnetic response; these goals will be accomplished through coincidence detection of final states. Nuclear modeling objectives are to organize and interpret the data through a consistent description of a broad spectrum of reaction observables; calculations are performed in a nonrelativistic diagrammatic framework as well as a relativistic QHD approach. Work is described according to the following arrangement: direct knockout reactions (completion of [sup 16]O(e,e[prime]p), [sup 12]C(e,e[prime]pp) progress, large acceptance detector physics simulations), giant resonance studies (intermediate-energy experiments with solid-state detectors, the third response function in [sup 12]C(e,e[prime]p[sub 0]) and [sup 16]O(e,e[prime]p[sub 0]), comparison of the [sup 12]C(e, e[prime]p[sub 0]) and [sup 16]O(e,e[prime]p[sub 3]) reactions, quadrupole strength in the [sup 16]O(e,e[prime][alpha][sub 0]) reaction, quadrupole strength in the [sup 12]C(e,e[prime][alpha]) reaction, analysis of the [sup 12]C(e,e[prime]p[sub 1]) and [sup 16]O(e,e[prime]p[sub 3]) angular distributions, analysis of the [sup 40]Ca(e,e[prime]x) reaction at low q, analysis of the higher-q [sup 12]C(e,e[prime]x) data from Bates), models of nuclear structure (experimental work, Hartree-Fock calculations, phonon excitations in spherical nuclei, shell model calculations, variational methods for relativistic fields), and instrumentation development efforts (developments at CEBAF, CLAS contracts, BLAST developments).

  3. Understanding the proton radius puzzle: Nuclear structure effects in light muonic atoms

    NASA Astrophysics Data System (ADS)

    Ji, Chen; Hernandez, Oscar Javier; Nevo Dinur, Nir; Bacca, Sonia; Barnea, Nir

    2016-03-01

    We present calculations of nuclear structure effects to the Lamb shift in light muonic atoms. We adopt a modern ab-initio approach by combining state-of-the-art nuclear potentials with the hyperspherical harmonics method. Our calculations are instrumental to the determination of nuclear charge radii in the Lamb shift measurements, which will shed light on the proton radius puzzle.

  4. The shell model as a unified view of nuclear structure

    SciTech Connect

    Caurier, E.; Martinez-Pinedo, G.; Nowacki, F.; Poves, A.; Zuker, A.P.

    2005-04-01

    The last decade has witnessed both quantitative and qualitative progress in shell-model studies, which have resulted in remarkable gains in our understanding of the structure of the nucleus. Indeed, it is now possible to diagonalize matrices in determinantal spaces of dimensionality up to 10{sup 9} using the Lanczos tridiagonal construction, whose formal and numerical aspects are analyzed in this review. In addition, many new approximation methods have been developed in order to overcome the dimensionality limitations. New effective nucleon-nucleon interactions have been constructed that contain both two- and three-body contributions. The former are derived from realistic potentials (i.e., potentials consistent with two-nucleon data). The latter incorporate the pure monopole terms necessary to correct the bad saturation and shell-formation properties of the realistic two-body forces. This combination appears to solve a number of hitherto puzzling problems. The present review concentrates on those results which illustrate the global features of the approach: the universality of the effective interaction and the capacity of the shell model to describe simultaneously all the manifestations of the nuclear dynamics, either single-particle or collective in nature. The review also treats in some detail the problems associated with rotational motion, the origin of quenching of the Gamow-Teller transitions, double-{beta} decays, the effect of isospin nonconserving nuclear forces, and the specificities of neutron-rich nuclei. Many other calculations--which appear to have 'merely' spectroscopic interest--are touched upon briefly, although the authors are fully aware that much of the credibility of the shell model rests on them.

  5. The shell model as a unified view of nuclear structure

    NASA Astrophysics Data System (ADS)

    Caurier, E.; Martínez-Pinedo, G.; Nowacki, F.; Poves, A.; Zuker, A. P.

    2005-04-01

    The last decade has witnessed both quantitative and qualitative progress in shell-model studies, which have resulted in remarkable gains in our understanding of the structure of the nucleus. Indeed, it is now possible to diagonalize matrices in determinantal spaces of dimensionality up to 109 using the Lanczos tridiagonal construction, whose formal and numerical aspects are analyzed in this review. In addition, many new approximation methods have been developed in order to overcome the dimensionality limitations. New effective nucleon-nucleon interactions have been constructed that contain both two- and three-body contributions. The former are derived from realistic potentials (i.e., potentials consistent with two-nucleon data). The latter incorporate the pure monopole terms necessary to correct the bad saturation and shell-formation properties of the realistic two-body forces. This combination appears to solve a number of hitherto puzzling problems. The present review concentrates on those results which illustrate the global features of the approach: the universality of the effective interaction and the capacity of the shell model to describe simultaneously all the manifestations of the nuclear dynamics, either single-particle or collective in nature. The review also treats in some detail the problems associated with rotational motion, the origin of quenching of the Gamow-Teller transitions, double- β decays, the effect of isospin nonconserving nuclear forces, and the specificities of neutron-rich nuclei. Many other calculations—which appear to have “merely” spectroscopic interest—are touched upon briefly, although the authors are fully aware that much of the credibility of the shell model rests on them.

  6. Computational methods for the nuclear and neutron matter problems. Progress report

    SciTech Connect

    Kalos, M.H.

    1980-01-01

    Progress on the development of Monte Carlo methods for the treatment of extensive nuclear and neutron matter and of finite nuclei is reported. Appropriate modifications in the Monte Carlo formalism were made and carried through for the V/sub 4/ potential; the previous method was satisfactory for V/sub 3/, and the latter calculations have been completed. Significant progress was made in the development of the Green's function Monte Carlo method for fermion systems. It proved useful to study a model nuclear few-body problem, in particular, a kind of three-neutron problem. This work proved successful in that a stable Monte Carlo algorithm was developed. It gave correct results for energy and wave function for a soluble (separable) test problem and reasonable results (confirmed by variational computations) for a system interacting by pairwise phenomenological potentials. A stable GFMC algorithm for many-fermion systems has not been implemented, but ancillary studies on /sup 3/He have advanced considerably. In particular, new methods for finding upper bounds have been devised in which Green's function methods are used. These have particular application to nuclear problems. Lower values of the upper bounds were found for /sup 3/He. 20 tables. (RWR)

  7. (Advanced materials, robotics, and advanced computers for use in nuclear power plants)

    SciTech Connect

    White, J.D.

    1989-11-17

    The aim of the IAEA Technical Committee Workshop was to provide an opportunity to exchange information on the status of advances in technologies such as improved materials, robotics, and advanced computers already used or expected to be used in the design of nuclear power plants, and to review possible applications of advanced technologies in future reactor designs. Papers were given in these areas by Belgium, France, Mexico, Canada, Russia, India, and the United States. Notably absent from this meeting were Japan, Germany, Italy, Spain, the United Kingdom, and the Scandinavian countries -- all of whom are working in the areas of interest to this meeting. Most of the workshop discussion, however, was focused on advanced controls (including human-machine interface and software development and testing) and electronic descriptions of power plants. Verification and validation of design was also a topic of considerable discussion. The traveler was surprised at the progress made in 3-D electronic images of nuclear power plants and automatic updating of these images to reflect as-built conditions. Canadian plants and one Mexican plant have used photogrammetry to update electronic drawings automatically. The Canadians also have started attaching other electronic data bases to the electronic drawings. These data bases include parts information and maintenance work. The traveler observed that the Advanced Controls Program is better balanced and more forward looking than other nuclear controls R D activities described. The French participants made this observation in the meeting and expressed interest in collaborative work in this area.

  8. Three parallel computation methods for structural vibration analysis

    NASA Technical Reports Server (NTRS)

    Storaasli, Olaf; Bostic, Susan; Patrick, Merrell; Mahajan, Umesh; Ma, Shing

    1988-01-01

    The Lanczos (1950), multisectioning, and subspace iteration sequential methods for vibration analysis presently used as bases for three parallel algorithms are noted, in the aftermath of three example problems, to maintain reasonable accuracy in the computation of vibration frequencies. Significant computation time reductions are obtained as the number of processors increases. An analysis is made of the performance of each method, in order to characterize relative strengths and weaknesses as well as to identify those parameters that most strongly affect computation efficiency.

  9. Physical and mechanical metallurgy of zirconium alloys for nuclear applications: a multi-scale computational study

    SciTech Connect

    Michael V. Glazoff

    2014-10-01

    In the post-Fukushima world, the stability of materials under extreme conditions is an important issue for the safety of nuclear reactors. Because the nuclear industry is going to continue using advanced zirconium cladding materials in the foreseeable future, it become critical to gain fundamental understanding of the several interconnected problems. First, what are the thermodynamic and kinetic factors affecting the oxidation and hydrogen pick-up by these materials at normal, off-normal conditions, and in long-term storage? Secondly, what protective coatings (if any) could be used in order to gain extremely valuable time at off-normal conditions, e.g., when temperature exceeds the critical value of 2200°F? Thirdly, the kinetics of oxidation of such protective coating or braiding needs to be quantified. Lastly, even if some degree of success is achieved along this path, it is absolutely critical to have automated inspection algorithms allowing identifying defects of cladding as soon as possible. This work strives to explore these interconnected factors from the most advanced computational perspective, utilizing such modern techniques as first-principles atomistic simulations, computational thermodynamics of materials, diffusion modeling, and the morphological algorithms of image processing for defect identification. Consequently, it consists of the four parts dealing with these four problem areas preceded by the introduction and formulation of the studied problems. In the 1st part an effort was made to employ computational thermodynamics and ab initio calculations to shed light upon the different stages of oxidation of ziraloys (2 and 4), the role of microstructure optimization in increasing their thermal stability, and the process of hydrogen pick-up, both in normal working conditions and in long-term storage. The 2nd part deals with the need to understand the influence and respective roles of the two different plasticity mechanisms in Zr nuclear alloys: twinning

  10. Symbolic algorithms for the computation of Moshinsky brackets and nuclear matrix elements

    NASA Astrophysics Data System (ADS)

    Ursescu, D.; Tomaselli, M.; Kuehl, T.; Fritzsche, S.

    2005-12-01

    To facilitate the use of the extended nuclear shell model (NSM), a FERMI module for calculating some of its basic quantities in the framework of MAPLE is provided. The Moshinsky brackets, the matrix elements for several central and non-central interactions between nuclear two-particle states as well as their expansion in terms of Talmi integrals are easily given within a symbolic formulation. All of these quantities are available for interactive work. Program summaryTitle of program:Fermi Catalogue identifier:ADVO Program summary URL:http://cpc.cs.qub.ac.uk/summaries/ADVO Program obtainable from: CPC Program Library, Queen's University of Belfast, N. Ireland Licensing provisions:None Computer for which the program is designed and others on which is has been tested:All computers with a licence for the computer algebra package MAPLE [Maple is a registered trademark of Waterloo Maple Inc., produced by MapleSoft division of Waterloo Maple Inc.] Instalations:GSI-Darmstadt; University of Kassel (Germany) Operating systems or monitors under which the program has beentested: WindowsXP, Linux 2.4 Programming language used:MAPLE 8 and 9.5 from MapleSoft division of Waterloo Maple Inc. Memory required to execute with typical data:30 MB No. of lines in distributed program including test data etc.:5742 No. of bytes in distributed program including test data etc.:288 939 Distribution program:tar.gz Nature of the physical problem:In order to perform calculations within the nuclear shell model (NSM), a quick and reliable access to the nuclear matrix elements is required. These matrix elements, which arise from various types of forces among the nucleons, can be calculated using Moshinsky's transformation brackets between relative and center-of-mass coordinates [T.A. Brody, M. Moshinsky, Tables of Transformation Brackets, Monografias del Instituto de Fisica, Universidad Nacional Autonoma de Mexico, 1960] and by the proper use of the nuclear states in different coupling notations

  11. Computational methods for constructing protein structure models from 3D electron microscopy maps

    PubMed Central

    Esquivel-Rodríguez, Juan; Kihara, Daisuke

    2013-01-01

    Protein structure determination by cryo-electron microscopy (EM) has made significant progress in the past decades. Resolutions of EM maps have been improving as evidenced by recently reported structures that are solved at high resolutions close to 3 Å. Computational methods play a key role in interpreting EM data. Among many computational procedures applied to an EM map to obtain protein structure information, in this article we focus on reviewing computational methods that model protein three-dimensional (3D) structures from a 3D EM density map that is constructed from two-dimensional (2D) maps. The computational methods we discuss range from de novo methods, which identify structural elements in an EM map, to structure fitting methods, where known high resolution structures are fit into a low-resolution EM map. A list of available computational tools is also provided. PMID:23796504

  12. The Schematic Structure of Computer Science Research Articles.

    ERIC Educational Resources Information Center

    Posteguillo, Santiago

    1999-01-01

    Presents a linguistic description of the schematic organization of 40 journal articles from three academic journals in computing research. Results indicate the introduction-methods-results-discussion research reporting pattern can not be applied to computer science articles, with the central part (methods- results) departing most from the…

  13. PREFACE: 21st International Conference on Computing in High Energy and Nuclear Physics (CHEP2015)

    NASA Astrophysics Data System (ADS)

    Sakamoto, H.; Bonacorsi, D.; Ueda, I.; Lyon, A.

    2015-12-01

    The International Conference on Computing in High Energy and Nuclear Physics (CHEP) is a major series of international conferences intended to attract physicists and computing professionals to discuss on recent developments and trends in software and computing for their research communities. Experts from the high energy and nuclear physics, computer science, and information technology communities attend CHEP events. This conference series provides an international forum to exchange experiences and the needs of a wide community, and to present and discuss recent, ongoing, and future activities. At the beginning of the successful series of CHEP conferences in 1985, the latest developments in embedded systems, networking, vector and parallel processing were presented in Amsterdam. The software and computing ecosystem massively evolved since then, and along this path each CHEP event has marked a step further. A vibrant community of experts on a wide range of different high-energy and nuclear physics experiments, as well as technology explorer and industry contacts, attend and discuss the present and future challenges, and shape the future of an entire community. In such a rapidly evolving area, aiming to capture the state-of-the-art on software and computing through a collection of proceedings papers on a journal is a big challenge. Due to the large attendance, the final papers appear on the journal a few months after the conference is over. Additionally, the contributions often report about studies at very heterogeneous statuses, namely studies that are completed, or are just started, or yet to be done. It is not uncommon that by the time a specific paper appears on the journal some of the work is over a year old, or the investigation actually happened in different directions and with different methodologies than originally presented at the conference just a few months before. And by the time the proceedings appear in journal form, new ideas and explorations have

  14. Computational image analysis of colony and nuclear morphology to evaluate human induced pluripotent stem cells.

    PubMed

    Tokunaga, Kazuaki; Saitoh, Noriko; Goldberg, Ilya G; Sakamoto, Chiyomi; Yasuda, Yoko; Yoshida, Yoshinori; Yamanaka, Shinya; Nakao, Mitsuyoshi

    2014-01-01

    Non-invasive evaluation of cell reprogramming by advanced image analysis is required to maintain the quality of cells intended for regenerative medicine. Here, we constructed living and unlabelled colony image libraries of various human induced pluripotent stem cell (iPSC) lines for supervised machine learning pattern recognition to accurately distinguish bona fide iPSCs from improperly reprogrammed cells. Furthermore, we found that image features for efficient discrimination reside in cellular components. In fact, extensive analysis of nuclear morphologies revealed dynamic and characteristic signatures, including the linear form of the promyelocytic leukaemia (PML)-defined structure in iPSCs, which was reversed to a regular sphere upon differentiation. Our data revealed that iPSCs have a markedly different overall nuclear architecture that may contribute to highly accurate discrimination based on the cell reprogramming status. PMID:25385348

  15. PREFACE: International Conference on Computing in High Energy and Nuclear Physics (CHEP 2010)

    NASA Astrophysics Data System (ADS)

    Lin, Simon C.; Shen, Stella; Neufeld, Niko; Gutsche, Oliver; Cattaneo, Marco; Fisk, Ian; Panzer-Steindel, Bernd; Di Meglio, Alberto; Lokajicek, Milos

    2011-12-01

    The International Conference on Computing in High Energy and Nuclear Physics (CHEP) was held at Academia Sinica in Taipei from 18-22 October 2010. CHEP is a major series of international conferences for physicists and computing professionals from the worldwide High Energy and Nuclear Physics community, Computer Science, and Information Technology. The CHEP conference provides an international forum to exchange information on computing progress and needs for the community, and to review recent, ongoing and future activities. CHEP conferences are held at roughly 18 month intervals, alternating between Europe, Asia, America and other parts of the world. Recent CHEP conferences have been held in Prauge, Czech Republic (2009); Victoria, Canada (2007); Mumbai, India (2006); Interlaken, Switzerland (2004); San Diego, California(2003); Beijing, China (2001); Padova, Italy (2000) CHEP 2010 was organized by Academia Sinica Grid Computing Centre. There was an International Advisory Committee (IAC) setting the overall themes of the conference, a Programme Committee (PC) responsible for the content, as well as Conference Secretariat responsible for the conference infrastructure. There were over 500 attendees with a program that included plenary sessions of invited speakers, a number of parallel sessions comprising around 260 oral and 200 poster presentations, and industrial exhibitions. We thank all the presenters, for the excellent scientific content of their contributions to the conference. Conference tracks covered topics on Online Computing, Event Processing, Software Engineering, Data Stores, and Databases, Distributed Processing and Analysis, Computing Fabrics and Networking Technologies, Grid and Cloud Middleware, and Collaborative Tools. The conference included excursions to various attractions in Northern Taiwan, including Sanhsia Tsu Shih Temple, Yingko, Chiufen Village, the Northeast Coast National Scenic Area, Keelung, Yehliu Geopark, and Wulai Aboriginal Village

  16. Computer code for space-time diagnostics of nuclear safety parameters

    SciTech Connect

    Solovyev, D. A.; Semenov, A. A.; Gruzdov, F. V.; Druzhaev, A. A.; Shchukin, N. V.; Dolgenko, S. G.; Solovyeva, I. V.; Ovchinnikova, E. A.

    2012-07-01

    The computer code ECRAN 3D (Experimental and Calculation Reactor Analysis) is designed for continuous monitoring and diagnostics of reactor cores and databases for RBMK-1000 on the basis of analytical methods for the interrelation parameters of nuclear safety. The code algorithms are based on the analysis of deviations between the physically obtained figures and the results of neutron-physical and thermal-hydraulic calculations. Discrepancies between the measured and calculated signals are equivalent to obtaining inadequacy between performance of the physical device and its simulator. The diagnostics system can solve the following problems: identification of facts and time for inconsistent results, localization of failures, identification and quantification of the causes for inconsistencies. These problems can be effectively solved only when the computer code is working in a real-time mode. This leads to increasing requirements for a higher code performance. As false operations can lead to significant economic losses, the diagnostics system must be based on the certified software tools. POLARIS, version 4.2.1 is used for the neutron-physical calculation in the computer code ECRAN 3D. (authors)

  17. Are there nuclear structure effects on the isoscalar giant monopole resonance and nuclear incompressibility near A ∼ 90?

    NASA Astrophysics Data System (ADS)

    Gupta, Y. K.; Garg, U.; Howard, K. B.; Matta, J. T.; Şenyiğit, M.; Itoh, M.; Ando, S.; Aoki, T.; Uchiyama, A.; Adachi, S.; Fujiwara, M.; Iwamoto, C.; Tamii, A.; Akimune, H.; Kadono, C.; Matsuda, Y.; Nakahara, T.; Furuno, T.; Kawabata, T.; Tsumura, M.; Harakeh, M. N.; Kalantar-Nayestanaki, N.

    2016-09-01

    "Background-free" spectra of inelastic α-particle scattering have been measured at a beam energy of 385 MeV in 90,92Zr and 92Mo at extremely forward angles, including 0°. The ISGMR strength distributions for the three nuclei coincide with each other, establishing clearly that nuclear incompressibility is not influenced by nuclear shell structure near A ∼ 90 as was claimed in recent measurements.

  18. NGC 1068 - Resolution of nuclear structure in the optical continuum

    NASA Technical Reports Server (NTRS)

    Lynds, Roger; Faber, S. M.; Light, Robert M.; Groth, Edward J.; Holtzman, Jon A.

    1991-01-01

    The HST Planetary Camera has been used to obtain an optical continuum image of the Seyfert galaxy NGC 1068. The image reveals a bright nucleus embedded in an irregular cloudlike structure which is well-differentiated against the background of the galaxy. The nucleus is resolved, with an FWHM of about 0.15 arcsec, or 11 pc. There is no evidence for any unresolved nuclear component. The precise geometry of the scattering region cannot yet be inferred. The cloud surrounding the nucleus is elongated in the NE-SSW direction and has extreme dimensions of 3.5 arcsec x 1.7 arcsec. The brightness centroid is situated 0.4 arcsec SW of the nucleus. It is concluded that the light from the cloud is contributed largely by stars, but that the appearance of the cloud is distinctly dissimilar to what is expected from young or old stellar systems and bears to simple relationship to the numerous features that have heretofore been resolved at other wavelengths.

  19. Geographic structure of European anchovy: A nuclear-DNA study

    NASA Astrophysics Data System (ADS)

    Bouchenak-Khelladi, Yanis; Durand, Jean-Dominique; Magoulas, Antonios; Borsa, Philippe

    2008-08-01

    Atlantic-Mediterranean anchovies were genetically characterized at two polymorphic nuclear loci (intron 6 of two creatine-kinase genes) and compared to reference Engraulis albidus and E. encrasicolus samples from the northern Western Mediterranean to provide new insights into their geographic structure. Northeastern Atlantic anchovy, represented by one sample from the Canary archipelago and one sample from the Alboran Sea, were genetically distinct from Mediterranean E. encrasicolus (Weir and Cockerham's ^θ = 0.027-0.311), indicating geographic isolation from either side of the Almería-Oran oceanographic front. Generally smaller genetic differences were evident among anchovy populations from different sub-basins in the Mediterranean ( ^θ = - 0.019-0.116), the genetic differences between Black Sea and Ionian Sea/Aegean Sea anchovies being the strongest ( ^θ = 0.002-0.116). There was no evidence of the presence of E. albidus in our samples outside Camargue (northern shore of the Western Mediterranean). However, a sample from the southern Western Mediterranean appeared to be genetically intermediate between E. albidus and Mediterranean E. encrasicolus, indicating possible hybridization. Anchovy from the Benguela current system off southern Africa possessed allele frequencies characteristic of E. albidus at one locus and Northeastern Atlantic anchovy at the other locus, suggesting past introgression.

  20. Nuclear-structure aspects of double beta decay

    SciTech Connect

    Suhonen, Jouni

    2010-11-24

    Neutrinoless double beta (0{nu}{beta}{beta}) decay of nuclei is a process that requires the neutrino to be a massive Majorana particle and thus cannot proceed in the standard model of electro-weak interactions. Recent results of the neutrino-oscillation experiments have produced accurate information on the mixing of neutrinos and their squared mass differences. The 0{nu}{beta}{beta} decay takes place in atomic nuclei where it can be observed, at least in principle, by underground neutrino experiments. The need of nuclei in observation of the 0{nu}{beta}{beta} decay bears two facets: The nucleus serves as laboratory for detection but at the same time its complicated many-nucleon structure interferes strongly with the analysis of the experimental data. The information about the weak-interaction observables, like the neutrino mass, has to be filtered from the data through the nuclear matrix elements (NMEs). Hence, exact knowledge about the NMEs is of paramount importance in the analysis of the data provided by the expensive and time-consuming underground experiments.

  1. Nuclear structure and reaction studies at medium energies

    SciTech Connect

    Hoffmann, G.W.; Ray, R.L.

    1990-10-01

    This document constitutes the (1988--1991) technical progress report for the ongoing medium energy physics research program supported by the US Department of Energy through special Research Grant FG05-88ER40444. The experiments discussed are conducted at the Los Alamos National Laboratory's (LANL) Clinton P. Anderson Meson Physics Facility (LAMPF), the Alternating Gradient Synchrotron (AGS) facility of the Brookhaven National Laboratory (BNL), and at the Fermi National Accelerator Laboratory (FNAL). The overall motivation for the work discussed in this document is driven by three main objectives: (1) provide hadron-nucleon and hadron-nucleus scattering data which serve to facilitate the study of effective two-body interactions, test (and possibly determine) nuclear structure, and help study reaction mechanisms and dynamics;(2) provide unique, first-of-a-kind exploratory'' hadron-nucleus scattering data in the hope that such data will lead to discovery of new phenomena and new physics; and (3) perform precision tests of fundamental interactions, such as rare decay searches, whose observation would imply fundamental new physics.

  2. Studies of Nuclear Structure and Decay Properties of Actinide Nuclei

    SciTech Connect

    Kondev, F. G.; Ahmad, I.; Carpenter, M. P.; Chiara, C. J.; Greene, J. P.; Janssens, R. V. F.; Khoo, T. L.; Lauritsen, T.; Lister, C. J.; Moore, E. F.; Seweryniak, D.; Zhu, S.; Kellett, M. A.; Nichols, A. L.

    2009-01-28

    The identification of single-particle states in heavy actinide nuclei by means of studying their decay schemes plays a seminal role in understanding the structure of the heaviest elements and testing the predictive power of modern theoretical models. The heaviest odd-mass nuclides available in sufficient quantity for detailed decay spectroscopic studies are 20-h {sup 255} Fm(for neutrons) and 20-d {sup 253}Es(for protons). Decay spectra of these isotopes, together with those for the odd-odd 276-d {sup 254}Es nuclide, were measured using a variety of {alpha}-particle and {gamma}-ray spectroscopy techniques. Well-defined decay data are also essential pre-requisites for the detection and accurate characterization of fissile radionuclides. The parameters of greatest relevance include actinide half-lives, branching fractions, and {alpha}-particle and {gamma}-ray energies and emission probabilities. Their quantification to good accuracy provides the means of monitoring their presence, behavior and transport in nuclear facilities as well as any clandestine movement and usage. As a consequence of recommendations made at recent IAEA research coordination meetings on 'Updated Decay Data Library for Actinides,' measurements were undertaken to determine specific decay data of the more inadequately defined radionuclides.

  3. Monitoring the Geneseo Nuclear Structure Lab with VISION

    NASA Astrophysics Data System (ADS)

    Nicklaw, R.; Padalino, S.; McLean, J.

    2002-10-01

    VISION (Virtual Instrument System Information) is a LabVIEW based program designed to monitor a 2 MV Van de Graaff accelerator in the Geneseo Nuclear Structure Laboratory (GNSL). The purpose of the system is to monitor and notify the user of potentially critical situations in the lab. Main parameters of interest are the water coolant temperatures in the diffusion pumps, pressures within the vacuum chambers, and Van de Graaff operational parameters. LabVIEW reads these values and then displays them on monitors located throughout the laboratory. The user can set alarm limits on the relevant parameters, and when exceeded notifies the user verbally and visually. Recent additions to the VISION program include the water level sensor, calibration of the pressure readings, a web server application, and data logging. The VISION system is Internet accessible ^1, data from the main screen is displayed over the web for remote monitoring of the accelerator. Another useful monitoring tool is the data logger, which writes acquired data to a formatted text document at specified intervals. A future goal for VISION is to not only monitor, but to control aspects of the GNSL with LabVIEW. ^1 Webpage accessible at: http://s69n144.sci.geneseo.edu/vision.htm * Research funded in part by the United States Department of Energy

  4. Toward Improved Nuclear Explosion Monitoring With Complete Waveform Simulations Using Three-Dimensional Models and Parallel Computing

    NASA Astrophysics Data System (ADS)

    Vorobiev, O.; Antoun, T.; Rodgers, A.; Matzel, E.; Myers, S.; Walter, W.; Petersson, A.; Bono, C.; Sjogreen, B.

    2008-12-01

    Next generation methods for lowering seismic monitoring thresholds and reducing uncertainties will likely rely on complete waveform simulations using three-dimensional (3D) earth models. Recent advances in numerical methods for both non-linear (shock wave) and linear (anelastic, seismic wave) propagation, improved 3D models and the steady growth of parallel computing promise to improve the accuracy and efficiency of explosion simulations. These methods implemented in new computer codes can advance physics-based understanding of nuclear explosions as well as the propagation effects caused by path-dependent earth structure. This presentation will summarize new 3D modeling capabilities developed to improve understanding of the seismic waves emerging from an explosion. Specifically we are working in three thrust areas: 1) computation of regional distance intermediate-period (50-10 seconds) synthetic seismograms in 3D earth models to assess the ability of these models to predict observed seismograms from well-characterized events; 2) coupling of non-linear hydrodynamic simulations of explosion shock waves with an anelastic finite difference code for modeling the dependence of seismic wave observables on explosion emplacement conditions and near-source heterogeneity; and 3) implementation of surface topography in our anelastic finite difference code to include scattering and mode-conversion due to a non-planar free surface. Current 3D continental-to-global scale seismic models represent long-wavelength (greater than 100 km) heterogeneity. We are investigating the efficacy of current 3D models to predict complete intermediate (50- 10 seconds) waveforms for well-characterized events (mostly earthquakes) using the spectral element code, SPECFEM3D. Intermediate period seismograms for crustal events at regional distance are strongly impacted by path propagation effects due to laterally variable crustal and upper mantle structure. We are also modeling shock wave propagation

  5. Designing a new structure for storing nuclear data. Progress of the Working Party for Evaluation Cooperation subgroup #38

    NASA Astrophysics Data System (ADS)

    Mattoon, C. M.; Beck, B. R.

    2015-12-01

    An international effort is underway to design a new structure for storing and using nuclear reaction data, with the goal of eventually replacing the current standard, ENDF-6 (see the formats manual at http://www.nndc.bnl.gov/csewg/docs/endf-manual.pdf). This effort, organized by the Working Party for Evaluation Cooperation, was initiated in 2012 and has resulted in a list of requirements and specifications for how the proposed new structure shall perform. The new structure will take advantage of new developments in computational tools, using a nested hierarchy to store data. The structure can be stored in text form (such as an XML file) for human readability and data sharing, or it can be stored in binary to optimize data access. In this paper, we present the progress towards completing the requirements, specifications and implementation of the new structure.

  6. Nur77 forms novel nuclear structures upon DNA damage that cause transcriptional arrest

    SciTech Connect

    Leseleuc, Louis de; Denis, Francois . E-mail: francois.denis@iaf.inrs.ca

    2006-05-15

    The orphan nuclear receptor Nur77 has been implicated in both growth and apoptosis, and its function and activity can be modulated by cellular redistribution. Green fluorescent protein-tagged Nur77 was used to evaluate the role of Nur77 intracellular redistribution in response to genotoxic stress. Selected DNA damaging agents and transcription inhibition lead to rapid redistribution of Nur77 into nuclear structures distinct from conventional nuclear bodies. These nuclear bodies formed transiently were tightly bound to the nuclear matrix and conditions that lead to their appearance were associated with Nur77 transcriptional inhibition. The formation of Nur77 nuclear bodies might be involved in programmed cell death modulation upon exposure to DNA damaging agents that inhibit transcription by sequestrating this proapoptotic factor in dense nuclear structures.

  7. Fluid/Structure Interaction Studies of Aircraft Using High Fidelity Equations on Parallel Computers

    NASA Technical Reports Server (NTRS)

    Guruswamy, Guru; VanDalsem, William (Technical Monitor)

    1994-01-01

    Abstract Aeroelasticity which involves strong coupling of fluids, structures and controls is an important element in designing an aircraft. Computational aeroelasticity using low fidelity methods such as the linear aerodynamic flow equations coupled with the modal structural equations are well advanced. Though these low fidelity approaches are computationally less intensive, they are not adequate for the analysis of modern aircraft such as High Speed Civil Transport (HSCT) and Advanced Subsonic Transport (AST) which can experience complex flow/structure interactions. HSCT can experience vortex induced aeroelastic oscillations whereas AST can experience transonic buffet associated structural oscillations. Both aircraft may experience a dip in the flutter speed at the transonic regime. For accurate aeroelastic computations at these complex fluid/structure interaction situations, high fidelity equations such as the Navier-Stokes for fluids and the finite-elements for structures are needed. Computations using these high fidelity equations require large computational resources both in memory and speed. Current conventional super computers have reached their limitations both in memory and speed. As a result, parallel computers have evolved to overcome the limitations of conventional computers. This paper will address the transition that is taking place in computational aeroelasticity from conventional computers to parallel computers. The paper will address special techniques needed to take advantage of the architecture of new parallel computers. Results will be illustrated from computations made on iPSC/860 and IBM SP2 computer by using ENSAERO code that directly couples the Euler/Navier-Stokes flow equations with high resolution finite-element structural equations.

  8. Analysis of statistical model properties from discrete nuclear structure data

    NASA Astrophysics Data System (ADS)

    Firestone, Richard B.

    2012-02-01

    Experimental M1, E1, and E2 photon strengths have been compiled from experimental data in the Evaluated Nuclear Structure Data File (ENSDF) and the Evaluated Gamma-ray Activation File (EGAF). Over 20,000 Weisskopf reduced transition probabilities were recovered from the ENSDF and EGAF databases. These transition strengths have been analyzed for their dependence on transition energies, initial and final level energies, spin/parity dependence, and nuclear deformation. ENSDF BE1W values were found to increase exponentially with energy, possibly consistent with the Axel-Brink hypothesis, although considerable excess strength observed for transitions between 4-8 MeV. No similar energy dependence was observed in EGAF or ARC data. BM1W average values were nearly constant at all energies above 1 MeV with substantial excess strength below 1 MeV and between 4-8 MeV. BE2W values decreased exponentially by a factor of 1000 from 0 to 16 MeV. The distribution of ENSDF transition probabilities for all multipolarities could be described by a lognormal statistical distribution. BE1W, BM1W, and BE2W strengths all increased substantially for initial transition level energies between 4-8 MeV possibly due to dominance of spin-flip and Pygmy resonance transitions at those excitations. Analysis of the average resonance capture data indicated no transition probability dependence on final level spins or energies between 0-3 MeV. The comparison of favored to unfavored transition probabilities for odd-A or odd-Z targets indicated only partial support for the expected branching intensity ratios with many unfavored transitions having nearly the same strength as favored ones. Average resonance capture BE2W transition strengths generally increased with greater deformation. Analysis of ARC data suggest that there is a large E2 admixture in M1 transitions with the mixing ratio δ ≈ 1.0. The ENSDF reduced transition strengths were considerably stronger than those derived from capture gamma ray

  9. Structural considerations on acridine/acridinium derivatives: Synthesis, crystal structure, Hirshfeld surface analysis and computational studies

    NASA Astrophysics Data System (ADS)

    Wera, Michał; Storoniak, Piotr; Serdiuk, Illia E.; Zadykowicz, Beata

    2016-02-01

    This article describes a detailed study of the molecular packing and intermolecular interactions in crystals of four derivatives of acridine, i.e. 9-methyl-, 9-ethyl, 9-bromomethyl- and 9-piperidineacridine (1, 2, 3 and 4, respectively) and three 10-methylacridinium salts containing the trifluoromethanesulphonate anion and 9-vinyl-, 9-bromomethyl, and 9-phenyl-10-methylacridinium cations (5, 6 and 7, respectively). The crystal structures of all of the compounds are stabilized by long-range electrostatic interactions, as well as by a network of short-range C-HṡṡṡO (in hydrates and salts 3 and 5-7, respectively), C-Hṡṡṡπ, π-π, C-Fṡṡṡπ and S-Oṡṡṡπ (in salts 5-7) interactions. Hirshfeld surface analysis shows that various intermolecular contacts play an important role in the crystal packing, graphically exhibiting the differences in spatial arrangements of the acridine/acridinium derivatives under scrutiny here. Additionally, computational methods have been used to compare the intermolecular interactions in the crystal structures of the investigated compounds. Computations have confirmed the great contribution of dispersive interactions for crystal lattice stability in the case of 9-substituted acridine and electrostatic interactions for the crystal lattice stability in the case of 9-substituted 10-methylacridinium trifluoromethanesulphonates. The value of crystal lattice energy and the electrostatic contribution in the crystal lattice energy of monohydrated acridine derivatives have confirmed that these compounds have behave as acridinium derivatives.

  10. Computer-based accountability system (Phase I) for special nuclear materials at Argonne-West

    SciTech Connect

    Ingermanson, R.S.; Proctor, A.E.

    1982-05-01

    An automated accountability system for special nuclear materials (SNM) is under development at Argonne National Laboratory-West. Phase I of the development effort has established the following basic features of the system: a unique file organization allows rapid updating or retrieval of the status of various SNM, based on batch numbers, storage location, serial number, or other attributes. Access to the program is controlled by an interactive user interface that can be easily understood by operators who have had no prior background in electronic data processing. Extensive use of structured programming techniques make the software package easy to understand and to modify for specific applications. All routines are written in FORTRAN.

  11. Structures and regulation of non-X orphan nuclear receptors: A retinoid hypothesis.

    PubMed

    Zhi, Xiaoyong; Zhou, X Edward; Melcher, Karsten; Xu, H Eric

    2016-03-01

    Nuclear receptors are defined as a family of ligand regulated transcription factors [1-6]. While this definition reflects that ligand binding is a key property of nuclear receptors, it is still a heated subject of debate if all the nuclear receptors (48 human members) can bind ligands (ligands referred here to both physiological and synthetic ligands). Recent studies in nuclear receptor structure biology and pharmacology have undoubtedly increased our knowledge of nuclear receptor functions and their regulation. As a result, they point to new avenues for the discovery and development of nuclear receptor regulators, including nuclear receptor ligands. Here we review the recent literature on orphan nuclear receptor structural analysis and ligand identification, particularly on the orphan nuclear receptors that do not heterodimerize with retinoid X receptors, which we term as non-X orphan receptors. We also propose a speculative "retinoid hypothesis" for a subset of non-X orphan nuclear receptors, which we hope to help shed light on orphan nuclear receptor biology and drug discovery. This article is part of a Special Issue entitled 'Orphan Nuclear Receptors'. PMID:26159912

  12. Methods for Computationally Efficient Structured CFD Simulations of Complex Turbomachinery Flows

    NASA Technical Reports Server (NTRS)

    Herrick, Gregory P.; Chen, Jen-Ping

    2012-01-01

    This research presents more efficient computational methods by which to perform multi-block structured Computational Fluid Dynamics (CFD) simulations of turbomachinery, thus facilitating higher-fidelity solutions of complicated geometries and their associated flows. This computational framework offers flexibility in allocating resources to balance process count and wall-clock computation time, while facilitating research interests of simulating axial compressor stall inception with more complete gridding of the flow passages and rotor tip clearance regions than is typically practiced with structured codes. The paradigm presented herein facilitates CFD simulation of previously impractical geometries and flows. These methods are validated and demonstrate improved computational efficiency when applied to complicated geometries and flows.

  13. Aging management of safety-related concrete structures in nuclear power plants

    SciTech Connect

    Naus, D.J.; Oland, C.B. ); Arndt, E.G. )

    1990-01-01

    The Structural Aging Program has the overall objective of providing the US Nuclear Regulatory Commission with an improved basis for evaluating nuclear power plants for continued service. In meeting this objective, a materials property data base is being developed as well as an aging assessment methodology for concrete structures in nuclear power plants. Furthermore, studies are well under way to review and assess inservice inspection techniques for concrete structures and to develop a methodology which can be used for performing current as well as reliability-based future conditions assessments of these structures. 16 refs., 2 tabs.

  14. Computational Thermodynamics for Interpreting Oxidation of Structural Materials in Supercritical Water

    SciTech Connect

    Tan, Lizhen; Yang, Ying; Allen, Todd R.; Busby, Jeremy T

    2011-01-01

    Supercritical water-cooled reactor (SCWR) is one of the advanced nuclear reactors being developed to meet the soaring energy demand. The corrosion resistance of structural materials used in SCWR becomes one of the major concerns as the operation conditions being raised up to {approx}600 C and {approx}25 MPa. Oxidation has been observed as the major corrosion behavior. To mitigate the oxidation corrosion, stabilities of metals and oxides need to be understood with respect to environmental temperature and oxygen partial pressure. Computational thermodynamics provides a practical approach to assess phase stabilities of such multi-component multi-variable systems. In this study, calculated phase stability diagrams of alloys and corresponding oxides were used to guide the interpretation of oxidation behaviors of SCW-exposed structural materials. Examples include ferritic-martensitic steel, austenitic steels and Ni-base alloy, e.g., HCM12A (Fe-12Cr), D9 (Fe-15Cr-15Ni), 800H (Fe-21Cr-32Ni), and 690 (Ni-30Cr-10Fe). Calculated results are in good overall consistence with the experimental data.

  15. Exploration of structure and function in biomolecules through solid-state NMR and computational methods

    NASA Astrophysics Data System (ADS)

    Heider, Elizabeth M.

    Solid-State Nuclear Magnetic Resonance (SSNMR) spectroscopy and quantum mechanical calculations are powerful analysis tools. Leveraged independently, each method yields important nuclear and molecular information. Used in concert, SSNMR and computational techniques provide complementary data about the structure of solids. These methods are particularly useful in characterizing the structures of microcrystalline organic compounds and revealing mechanisms of biological activity. Such applications may possess special relevance in analysis of pharmaceutical products; 90% of all pharmaceuticals are marketed as solids and bioactivity is strongly linked with molecular conformation. Accordingly, this dissertation employs both SSNMR and quantum mechanical computation to study three bioactive molecules: citrinin, two forms of Atrasentan (Abt-627), and paclitaxel (Taxol RTM). First, a computational study is utilized to determine the mechanism for unusual antioxidant activity in citrinin. Here, molecular geometries and bond dissociation enthalpies (BDE) of the citrinin O--H groups are calculated from first principles (ab initio). The total molecular Hamiltonian is determined by approximating the individual contributors to energy including electronic energy and contributions from modes of molecular vibration. This study of citrinin clearly identifies specific reaction sites in the active form, establishing the central role of intramolecular hydrogen bonding in this activity. Notably, it is discovered that citrinin itself is not the active species. Instead, a pair of hydrated Michael addition products of citrinin act as radical scavengers via O--H bond dissociation. Next, two separate compounds of the anticancer drug Abt-627 (form I and form II) are examined via SSNMR. The three principal values of the 13C diagonalized chemical shift tensor are acquired through the high resolution 2D experiment, FIREMAT. Isotropic chemical shift assignments are made utilizing both dipolar

  16. Adaptation of the C.H.A.D. computer library to nuclear simulations

    NASA Astrophysics Data System (ADS)

    Rock, Daniel Thomas

    The Computational Hydrodynamics for Automotive Design computer program, CHAD, is a modern, three-dimensional computational fluid dynamics code that holds promise for fulfilling a need in the nuclear industry and academia. Because CHAD may be freely distributed to non export controlled countries, it offers a cheap and customizable CFD capability. Several modifications were made to CHAD to make it more usable to those in industry and academia. A first order up-winding scheme for momentum and enthalpy and a reformulated continuity equation were migrated from a historical version of CHAD developed at Argonne National Laboratory. The Portable, Extensible Toolkit for Scientific Computing, PETSc, was also added as an optional solver package for the original and reformulated continuity equations. PETSc's highly optimized parallel solvers can be activated from either CHAD's input file or the command line. Solution times for PETSc based calculations depend in large part on convergence criteria provided, however improvements in CPU time of approximately one-third have been observed. CHAD was further extended by adding a capability to monitor solution progress by specifying a coordinate in space, as well as monitoring the residuals in the problem. The ability to model incompressible fluids was also added to the code. Incompressible fluid comparisons were made using several test cases against the commercial CFD code Fluent and found to agree well. A major limitation of CHAD in the academic environment is a limited mesh generation capability. A tool for CHAD was developed that translates Gambit based neutral mesh files into a CHAD usable format. This tool was used to translate a large mesh representing a simplified cooling jacket of a BWR control rod drive. This model serves as a practical, demonstration application of a nuclear application for CHAD and PETSc. Both CHAD with PETSc and Fluent were used to obtain solutions to this problem. The overall agreement between the two

  17. Standardized Procedure Content And Data Structure Based On Human Factors Requirements For Computer-Based Procedures

    SciTech Connect

    Bly, Aaron; Oxstrand, Johanna; Le Blanc, Katya L

    2015-02-01

    Most activities that involve human interaction with systems in a nuclear power plant are guided by procedures. Traditionally, the use of procedures has been a paper-based process that supports safe operation of the nuclear power industry. However, the nuclear industry is constantly trying to find ways to decrease the human error rate, especially the human errors associated with procedure use. Advances in digital technology make computer-based procedures (CBPs) a valid option that provides further enhancement of safety by improving human performance related to procedure use. The transition from paper-based procedures (PBPs) to CBPs creates a need for a computer-based procedure system (CBPS). A CBPS needs to have the ability to perform logical operations in order to adjust to the inputs received from either users or real time data from plant status databases. Without the ability for logical operations the procedure is just an electronic copy of the paper-based procedure. In order to provide the CBPS with the information it needs to display the procedure steps to the user, special care is needed in the format used to deliver all data and instructions to create the steps. The procedure should be broken down into basic elements and formatted in a standard method for the CBPS. One way to build the underlying data architecture is to use an Extensible Markup Language (XML) schema, which utilizes basic elements to build each step in the smart procedure. The attributes of each step will determine the type of functionality that the system will generate for that step. The CBPS will provide the context for the step to deliver referential information, request a decision, or accept input from the user. The XML schema needs to provide all data necessary for the system to accurately perform each step without the need for the procedure writer to reprogram the CBPS. The research team at the Idaho National Laboratory has developed a prototype CBPS for field workers as well as the

  18. Demonstration of Emitted-Neutron Computed Tomography to Quantify Nuclear Materials

    SciTech Connect

    Hausladen, Paul; Blackston, Matthew A; Newby, Jason

    2011-09-01

    In this document, we report demonstration of emitted-neutron computed tomography using fast fission neutrons to infer the geometry of sources of special nuclear material (SNM). The imaging system employed in the demonstration is based on a newly constructed array of pixelated neutron detectors that are suitable for arrangement in a close-packed imaging array and whose active volume consists of liquid scintillator EJ-309 which allows neutron-gamma discrimination via pulse shape to enable essentially pure fast-neutron imaging. The system is capable of high quality fast-neutron imaging where tomographic reconstruction of slices through an object resolves neutron sources similar in dimension to a fuel pellet, or about 1 cm. During measurements of Pu MOX fuel rodlet arrays in soup cans at the INL ZPPR facility, the position of a partial defect of a single rodlet containing Pu replaced by one containing depleted uranium (DU) was detected.

  19. Delineating role of ubiquitination on nuclear factor-kappa B pathway by a computational modeling approach

    SciTech Connect

    Lee, Jungsul; Choi, Kyungsun; Choi, Chulhee; Graduate School of Medical Science and Engineering, KAIST, Daejeon 305-701; KI for Bio Century, KAIST, Daejeon 305-701

    2010-01-01

    Mutant ubiquitin found in neurodegenerative diseases has been thought to hamper activation of transcription factor nuclear factor-kappa B (NF-{kappa}B) by inhibiting ubiquitin-proteasome system (UPS). It has been reported that ubiquitin also is involved in signal transduction in an UPS-independent manner. We used a modeling and simulation approach to delineate the roles of ubiquitin on NF-{kappa}B activation. Inhibition of proteasome complex increased maximal activation of IKK mainly by decreasing the UPS efficiency. On the contrary, mutant ubiquitin decreased maximal activity of IKK. Computational modeling showed that the inhibition effect of mutant ubiquitin is mainly attributed to decreased activity of UPS-independent function of ubiquitin. Collectively, our results suggest that mutant ubiquitin affects NF-{kappa}B activation in an UPS-independent manner.

  20. Computational methods and software systems for dynamics and control of large space structures

    NASA Technical Reports Server (NTRS)

    Park, K. C.; Felippa, C. A.; Farhat, C.; Pramono, E.

    1990-01-01

    Two key areas of crucial importance to the computer-based simulation of large space structures are discussed. The first area involves multibody dynamics (MBD) of flexible space structures, with applications directed to deployment, construction, and maneuvering. The second area deals with advanced software systems, with emphasis on parallel processing. The latest research thrust in the second area involves massively parallel computers.