Science.gov

Sample records for computational nuclear structure

  1. Nuclear Structure

    NASA Astrophysics Data System (ADS)

    Gargano, Angela

    2003-04-01

    An account of recent studies in the field of theoretical nuclear structure is reported. These studies concern essentially research activities performed under the Italian project "Fisica Teorica del Nucleo e dei Sistemi a Molti Corpi". Special attention is addressed to results obtained during the last two years as regards the development of new many-body techniques as well as the interpretation of new experimental aspects of nuclear structure.

  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. Fragment-Based Electronic Structure Approach for Computing Nuclear Magnetic Resonance Chemical Shifts in Molecular Crystals.

    PubMed

    Hartman, Joshua D; Beran, Gregory J O

    2014-11-11

    First-principles chemical shielding tensor predictions play a critical role in studying molecular crystal structures using nuclear magnetic resonance. Fragment-based electronic structure methods have dramatically improved the ability to model molecular crystal structures and energetics using high-level electronic structure methods. Here, a many-body expansion fragment approach is applied to the calculation of chemical shielding tensors in molecular crystals. First, the impact of truncating the many-body expansion at different orders and the role of electrostatic embedding are examined on a series of molecular clusters extracted from molecular crystals. Second, the ability of these techniques to assign three polymorphic forms of the drug sulfanilamide to the corresponding experimental (13)C spectra is assessed. This challenging example requires discriminating among spectra whose (13)C chemical shifts differ by only a few parts per million (ppm) across the different polymorphs. Fragment-based PBE0/6-311+G(2d,p) level chemical shielding predictions correctly assign these three polymorphs and reproduce the sulfanilamide experimental (13)C chemical shifts with 1 ppm accuracy. The results demonstrate that fragment approaches are competitive with the widely used gauge-invariant projector augmented wave (GIPAW) periodic density functional theory calculations. PMID:26584373

  7. Computational Infrastructure for Nuclear Astrophysics

    SciTech Connect

    Smith, Michael S.; Hix, W. Raphael; Bardayan, Daniel W.; Blackmon, Jeffery C.; Lingerfelt, Eric J.; Scott, Jason P.; Nesaraja, Caroline D.; Chae, Kyungyuk; Guidry, Michael W.; Koura, Hiroyuki; Meyer, Richard A.

    2006-07-12

    A Computational Infrastructure for Nuclear Astrophysics has been developed to streamline the inclusion of the latest nuclear physics data in astrophysics simulations. The infrastructure consists of a platform-independent suite of computer codes that is freely available online at nucastrodata.org. Features of, and future plans for, this software suite are given.

  8. 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.

  9. 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.

  10. Dipole rescattering and the nuclear structure function

    SciTech Connect

    Carvalho, F.; Goncalves, V. P.; Navarra, F. S.; Oliveira, E. G.

    2013-03-25

    In the framework of the dipole model, we study the effects of the dipole multiple scatterings in a nuclear target and compute the nuclear structure function. We compare different unitarization schemes and confront our results with the E665 data.

  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. 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.

  13. 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.

  14. 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.

  15. 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.

  16. Nuclear structure research

    NASA Astrophysics Data System (ADS)

    Brenner, D. S.

    1992-07-01

    The TRISTAN on-line isotope separator and the capture gamma ray facility at the HFBR are the experimental foci of the program which has four principal research themes, three involving nuclear structure physics and one directed towards astrophysics. These themes are: (1) the manifestation of the proton-neutron interaction in the evolution of nuclear structure and its relation to collectivity; (2) the appearance and the role of symmetries and supersymmetries in nuclei; (3) the study of new regions of magic nuclei; and (4) the characterization of nuclei important in r-process stellar nucleosynthesis.

  17. 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.

  18. Nuclear Structure Aspects in Nuclear Astrophysics

    SciTech Connect

    Smith, Michael Scott

    2006-12-01

    Nuclear Astrophysics as a broad and diverse field of study can be viewed as a magnifier of the impact of microscopic processes on the evolution of macroscopic events. One of the primary goals in Nuclear Astrophysics is the understanding of the nucleosynthesis processes that take place in the cosmos and the simulation of the correlated stellar and explosive burning scenarios. These simulations are strongly dependent on the input from Nuclear Physics which sets the time scale for all stellar dynamic processes--from giga-years of stellar evolution to milliseconds of stellar explosions--and provides the basis for most of the signatures that we have for the interpretation of these events--from stellar luminosities, elemental and isotopic abundances to neutrino flux from distant supernovae. The Nuclear Physics input comes through nuclear structure, low energy reaction rates, nuclear masses, and decay rates. There is a common perception that low energy reaction rates are the most important component of the required nuclear physics input; however, in this article we take a broader approach and present an overview of the close correlation between various nuclear structure aspects and their impact on nuclear astrophysics. We discuss the interplay between the weak and the strong forces on stellar time scales due to the limitations they provide for the evolution of slow and rapid burning processes. The effects of shell structure in nuclei on stellar burning processes as well as the impact of clustering in nuclei is outlined. Furthermore we illustrate the effects of the various nuclear structure aspects on the major nucleosynthesis processes that have been identified in the last few decades. We summarize and provide a coherent overview of the impact of all aspects of nuclear structure on nuclear astrophysics.

  19. Independent peer review of nuclear safety computer codes

    SciTech Connect

    Boyack, B.E.; Jenks, R.P.

    1993-02-01

    A structured process of independent computer code peer review has been developed to assist the US Nuclear Regulatory Commission (NRC) and the US Department of Energy in their nuclear safety missions. This paper focuses on the process that evolved during recent reviews of NRC codes.

  20. Structural mechanics computations on parallel computing platforms

    SciTech Connect

    Kulak, R.F.; Plaskacz, E.J.; Pfeiffer, P.A.

    1995-06-01

    With recent advances in parallel supercomputers and network-connected workstations, the solution to large scale structural engineering problems has now become tractable. High-performance computer architectures, which are usually available at large universities and national laboratories, now can solve large nonlinear problems. At the other end of the spectrum, network connected workstations can be configured to become a distributed-parallel computer. This approach is attractive to small, medium and large engineering firms. This paper describes the development of a parallelized finite element computer program for the solution of static, nonlinear structural mechanics problems.

  1. 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.

  2. 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.

  3. 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.

  4. 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.

  5. Computer Generated Cardiac Model For Nuclear Medicine

    NASA Astrophysics Data System (ADS)

    Hills, John F.; Miller, Tom R.

    1981-07-01

    A computer generated mathematical model of a thallium-201 myocardial image is described which is based on realistic geometric and physiological assumptions. The left ventricle is represented by an ellipsoid truncated by aortic and mitral valve planes. Initially, an image of a motionless left ventricle is calculated with the location, size, and relative activity of perfusion defects selected by the designer. The calculation includes corrections for photon attenuation by overlying structures and the relative distribution of activity within the tissues. Motion of the ventricular walls is simulated either by a weighted sum of images at different stages in the cardiac cycle or by a blurring function whose width varies with position. Camera and collimator blurring are estimated by the MTF of the system measured at a representative depth in a phantom. Statistical noise is added using a Poisson random number generator. The usefulness of this model is due to two factors: the a priori characterization of location and extent of perfusion defects and the strong visual similarity of the images to actual clinical studies. These properties should permit systematic evaluation of image processing algorithms using this model. The principles employed in developing this cardiac image model can readily be applied to the simulation of other nuclear medicine studies and to other medical imaging modalities including computed tomography, ultrasound, and digital radiography.

  6. 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.

  7. 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.

  8. 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.

  9. 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

  10. 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.

  11. 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.

  12. 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.

  13. Nuclear Structure Research at TRIUMF

    NASA Astrophysics Data System (ADS)

    Garrett, P. E.; Andreyev, A.; Austin, R. A. E.; Ball, G. C.; Bandyopadhyay, D.; Becker, J. A.; Boston, A. J.; Chakrawarthy, R. S.; Cline, D.; Cooper, R. J.; Churchman, R.; Cross, D.; Dashdorj, D.; Demand, G. A.; Dimmock, M. R.; Drake, T. E.; Finlay, P.; Gagon-Miosan, F.; 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.; Martin, J.-P.; Mattoon, C.; Mills, W. J.; Morton, A. C.; Mythili, S.; Nelson, L.; Newman, O.; Nolan, P. J.; Padilla-Rodal, E.; Pearson, C. J.; Phillips, A. A.; Porter-Peden, M.; Ressler, J. J.; Roy, R.; Ruiz, C.; Savajols, H.; Sarazin, F.; Schumaker, M. A.; Scraggs, D. P.; Scraggs, H. C.; Strange, M. D.; Svensson, C. E.; Waddington, J. C.; Wan, J. M.; Whitbeck, A.; Williams, S. J.; Wong, J.; Wood, J. L.; Wu, C. Y.; Zganjar, E. F.

    2007-04-01

    The radioactive beam laboratory at TRIUMF is currently the highest power ISOL facility in the world. Taking advantage of the high-intensity beams, major programs in nuclear astrophysics, nuclear structure, and weak interaction studies have begun. The low-energy area, ISAC-I, is capable of delivering beams up to mass 30 at approx 1.7 MeV/u or 60 keV up to the mass of the primary target, whereas ISAC-II will ultimately provide beams up to mass 150 and approx 6.5 MeV/u. Major gamma -ray spectrometers for nuclear structure research consist of the 8pi spectrometer at ISAC-I, and the TIGRESS spectrometer now being constructed for ISAC-II. Results from recent experiments investigating the beta -decay of nuclei near N=90 and Coulomb excitation of 20,21Na are presented that highlight the capabilities of the spectrometers.

  14. 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.

  15. 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.

  16. Experimental data confronts nuclear structure

    SciTech Connect

    Garrett, J.D.

    1988-01-01

    The physical content of experimental data for a variety of excitation energies and angular momenta is summarized. The specific nuclear structure questions which these data address are considered. The specific regions discussed are: low-spin data near the particle separation thresholds; low-spin data at intermediate excitation energies; high-spin, near-yrast data and high-spin data at larger excitation energies. 63 refs., 14 figs., 1 tab.

  17. From nuclear structure to nucleon structure

    NASA Astrophysics Data System (ADS)

    Liu, Keh-Fei

    2014-08-01

    Similarities between nuclear structure study with many-body theory approach and nucleon structure calculations with lattice QCD are pointed out. We will give an example of how to obtain the connected sea partons from a combination of the experimental data, a global fit of parton distribution functions and a lattice calculation. We also present a complete calculation of the quark and glue decomposition of the proton momentum and angular momentum in the quenched approximation. It is found that the quark orbital angular momentum constitutes about 50% of the proton spin.

  18. 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.

  19. 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

  20. 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

  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. 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.

  3. 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.

  4. 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.

  5. 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

  6. 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.

  7. 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.

  8. 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.

  9. 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

  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. 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

  13. 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

  14. Proposal for grid computing for nuclear applications

    SciTech Connect

    Idris, Faridah Mohamad; Ismail, Saaidi; Haris, Mohd Fauzi B.; Sulaiman, Mohamad Safuan B.; Aslan, Mohd Dzul Aiman Bin.; Samsudin, Nursuliza Bt.; Ibrahim, Maizura Bt.; Ahmad, Megat Harun Al Rashid B. Megat; Yazid, Hafizal B.; Jamro, Rafhayudi B.; Azman, Azraf B.; Rahman, Anwar B. Abdul; Ibrahim, Mohd Rizal B. Mamat; Muhamad, Shalina Bt. Sheik; Hassan, Hasni; Abdullah, Wan Ahmad Tajuddin Wan; Ibrahim, Zainol Abidin; Zolkapli, Zukhaimira; Anuar, Afiq Aizuddin; Norjoharuddeen, Nurfikri; and others

    2014-02-12

    The use of computer clusters for computational sciences including computational physics is vital as it provides computing power to crunch big numbers at a faster rate. In compute intensive applications that requires high resolution such as Monte Carlo simulation, the use of computer clusters in a grid form that supplies computational power to any nodes within the grid that needs computing power, has now become a necessity. In this paper, we described how the clusters running on a specific application could use resources within the grid, to run the applications to speed up the computing process.

  15. Proposal for grid computing for nuclear applications

    NASA Astrophysics Data System (ADS)

    Idris, Faridah Mohamad; Abdullah, Wan Ahmad Tajuddin Wan; Ibrahim, Zainol Abidin; Zolkapli, Zukhaimira; Anuar, Afiq Aizuddin; Norjoharuddeen, Nurfikri; Ali, Mohd Adli bin Md; Mohamed, Abdul Aziz; Ismail, Roslan; Ahmad, Abdul Rahim; Ismail, Saaidi; Haris, Mohd Fauzi B.; Sulaiman, Mohamad Safuan B.; Aslan, Mohd Dzul Aiman Bin.; Samsudin, Nursuliza Bt.; Ibrahim, Maizura Bt.; Ahmad, Megat Harun Al Rashid B. Megat; Yazid, Hafizal B.; Jamro, Rafhayudi B.; Azman, Azraf B.; Rahman, Anwar B. Abdul; Ibrahim, Mohd Rizal B. Mamat @; Muhamad, Shalina Bt. Sheik; Hassan, Hasni; Sjaugi, Farhan

    2014-02-01

    The use of computer clusters for computational sciences including computational physics is vital as it provides computing power to crunch big numbers at a faster rate. In compute intensive applications that requires high resolution such as Monte Carlo simulation, the use of computer clusters in a grid form that supplies computational power to any nodes within the grid that needs computing power, has now become a necessity. In this paper, we described how the clusters running on a specific application could use resources within the grid, to run the applications to speed up the computing process.

  16. 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.

  17. 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.

  18. 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.

  19. 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.

  20. Probabilistic structural analysis for nuclear thermal propulsion

    NASA Technical Reports Server (NTRS)

    Shah, Ashwin

    1993-01-01

    Viewgraphs of probabilistic structural analysis for nuclear thermal propulsion are presented. The objective of the study was to develop a methodology to certify Space Nuclear Propulsion System (SNPS) Nozzle with assured reliability. Topics covered include: advantage of probabilistic structural analysis; space nuclear propulsion system nozzle uncertainties in the random variables; SNPS nozzle natural frequency; and sensitivity of primitive variable uncertainties SNPS nozzle natural frequency and shell stress.

  1. 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.

  2. 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.

  3. 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.

  4. The nuclear structure and low-energy reactions (NSLER) collaboration

    NASA Astrophysics Data System (ADS)

    Dean, D. J.; NSLER Collaboration

    2006-09-01

    The long-term vision of the Nuclear Structure and Low-Energy Reactions (NSLER) collaboration is to arrive at a comprehensive and unified description of nuclei and their reactions that is grounded in the interactions between the constituent nucleons. For this purpose, we will develop a universal energy density functional for nuclei and replace current phenomenological models of nuclear structure and reactions with a well-founded microscopic theory that will deliver maximum predictive power with minimal uncertainties that are well quantified. Nuclear structure and reactions play an essential role in the science to be investigated at rare isotope facilities, and in nuclear physics applications to the Science-Based Stockpile Stewardship Program, next-generation reactors, and threat reduction. We anticipate an expansion of the computational techniques and methods we currently employ, and developments of new treatments, to take advantage of petascale architectures and demonstrate the capability of the leadership class machines to deliver new science heretofore impossible.

  5. 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.

  6. 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.

  7. 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.

  8. Advances and trends in computational structures technology

    NASA Technical Reports Server (NTRS)

    Noor, A. K.; Venneri, S. L.

    1990-01-01

    The major goals of computational structures technology (CST) are outlined, and recent advances in CST are examined. These include computational material modeling, stochastic-based modeling, computational methods for articulated structural dynamics, strategies and numerical algorithms for new computing systems, multidisciplinary analysis and optimization. The role of CST in the future development of structures technology and the multidisciplinary design of future flight vehicles is addressed, and the future directions of CST research in the prediction of failures of structural components, the solution of large-scale structural problems, and quality assessment and control of numerical simulations are discussed.

  9. 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.

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

    NASA Astrophysics Data System (ADS)

    Ibishi, A. I.

    2005-05-01

    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. 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.

  12. Electromagnetic studies of nuclear structure and reactions

    SciTech Connect

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

    1990-06-01

    This report contains papers on the following topics: giant resonance studies; deep inelastic scattering studies; high resolution nuclear structure work; and relativistic RPA; and field theory in the Schroedinger Representation.

  13. The use of personal computers in nuclear medicine.

    PubMed

    Tello, R; Potter, J E; Hill, T C

    1994-01-01

    Consolidating personal computers (PCs) with nuclear medicine technology can create high computational power comparable with that produced by vendor-specific computer equipment, and at more affordable prices. The integration of a standard platform and operating system with a large installed base has enabled our department to maintain itself at the cutting edge of technology with minimal expense. Along with the savings from the purchase of PC software and hardware come the added advantage of rapid training of staff with minimal in-house effort, especially given the vast educational support in the general community. The integration of a standard platform and operating system with a large installed base has provided the nuclear medicine department with computational resources once unheard of because of economies of scale. The acceptance and integration of a pervasive, flexible technology into nuclear medicine have shown that state-of-the-art studies can be performed at low cost. PMID:8122130

  14. 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.

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

    DOE PAGES

    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

  16. Regularity of nuclear structure under random interactions

    SciTech Connect

    Zhao, Y. M.

    2011-05-06

    In this contribution I present a brief introduction to simplicity out of complexity in nuclear structure, specifically, the regularity of nuclear structure under random interactions. I exemplify such simplicity by two examples: spin-zero ground state dominance and positive parity ground state dominance in even-even nuclei. Then I discuss two recent results of nuclear structure in the presence of random interactions, in collaboration with Prof. Arima. Firstly I discuss sd bosons under random interactions, with the focus on excited states in the yrast band. We find a few regular patterns in these excited levels. Secondly I discuss our recent efforts towards obtaining eigenvalues without diagonalizing the full matrices of the nuclear shell model Hamiltonian.

  17. 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

  18. 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.

  19. 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.

  20. Clustering aspects in nuclear structure functions

    SciTech Connect

    Hirai, M.; Saito, K.; Watanabe, T.; Kumano, S.

    2011-03-15

    For understanding an anomalous nuclear effect experimentally observed for the beryllium-9 nucleus at the Thomas Jefferson National Accelerator Facility, clustering aspects are studied in structure functions of deep inelastic lepton-nucleus scattering by using momentum distributions calculated in antisymmetrized (or fermionic) molecular dynamics (AMD) and also in a simple shell model for comparison. According to AMD, the {sup 9}Be nucleus consists of two {alpha}-like clusters with a surrounding neutron. The clustering produces high-momentum components in nuclear wave functions, which affects nuclear modifications of the structure functions. We investigated whether clustering features could appear in the structure function F{sub 2} of {sup 9}Be along with studies for other light nuclei. We found that nuclear modifications of F{sub 2} are similar in both AMD and shell models within our simple convolution description although there are slight differences in {sup 9}Be. It indicates that the anomalous {sup 9}Be result should be explained by a different mechanism from the nuclear binding and Fermi motion. If nuclear-modification slopes d(F{sub 2}{sup A}/F{sub 2}{sup D})/dx are shown by the maximum local densities, the {sup 9}Be anomaly can be explained by the AMD picture, namely by the clustering structure, whereas it certainly cannot be described in the simple shell model. This fact suggests that the large nuclear modification in {sup 9}Be should be explained by large densities in the clusters. For example, internal nucleon structure could be modified in the high-density clusters. The clustering aspect of nuclear structure functions is an unexplored topic which is interesting for future investigations.

  1. 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.

  2. Nuclear plant license renewal; Structural issues

    SciTech Connect

    Gazda, P.A.; Bhatt, P.C. )

    1991-01-01

    During the next 10 years, nuclear plant license renewal is expected to become a significant issue. Recent Electric Power Research Institute (EPRI) studies have shown license renewal to be technically and economically feasible. Filing an application for license renewal with the Nuclear Regulatory Commission (NRC) entails verifying that the systems, structures, and components essential for safety will continue to perform their safety functions throughout the license renewal period. This paper discusses the current proposed requirements for this verification and the current industry knowledge regarding age-related degradation of structures. Elements of a license renewal program incorporating NRC requirements and industry knowledge including a schedule are presented. Degradation mechanisms for structural components, their significance to nuclear plant structures, and industry-suggested age-related degradation management options are also reviewed.

  3. 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.

  4. 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.

  5. 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.

  6. 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.

  7. 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.

  8. 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.

  9. 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.

  10. NNS computing facility manual P-17 Neutron and Nuclear Science

    SciTech Connect

    Hoeberling, M.; Nelson, R.O.

    1993-11-01

    This document describes basic policies and provides information and examples on using the computing resources provided by P-17, the Neutron and Nuclear Science (NNS) group. Information on user accounts, getting help, network access, electronic mail, disk drives, tape drives, printers, batch processing software, XSYS hints, PC networking hints, and Mac networking hints is given.

  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. Computes Generalized Electromagnetic Interactions Between Structures

    SciTech Connect

    Johnson, William

    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.

  14. 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.

  15. CAE - nuclear engineering analysis on work-station computers

    SciTech Connect

    Wessol, D.E.; Liebelt, K.H.; Merrill, B.J.; Nigg, D.W.; Wheeler, F.J.

    1986-01-01

    Emergence of the inexpensive and widely available 32-bit-work-station computer is revolutionizing the scientific and engineering computing environment. These systems reach or exceed threshold for many midscale nuclear applications and bridge the gap between the era of expensive computing: cheap people and the era of cheap computing: expensive people. Experience at the Idaho National Engineering Laboratory (INEL) has demonstrated the efficacy of this new computer technology. For the past 1 1/2 yr, a Hewlett-Packard 9000/540 32-bit multi-user microcomputer has been used to perform many calculations typical of a nuclear design effort. This system is similar with respect to performance and memory to such work stations as the SUN-3, HP-9000/32, or the Apollo DN-3000 that are available for under $20,000 for a fully configured single-user station. The system is being used for code development, model setup and checkout, and a full range of nuclear applications. Various one- and two-dimensional discrete ordinates transport codes are used on a routine basis. These include the well-known ANISN code as well as locally developed transport models. Typical one-dimensional multigroup calculations can be executed in clock times <10 min.

  16. 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.

  17. Probing Nuclear Structure by Cold Emission Processes

    SciTech Connect

    Delion, D. S.

    2008-01-24

    Cold emission processes (one and two-proton emission, alpha-decay, heavy cluster emission and cold binary or ternary fission) are presently among important tools to investigate the structure of rare nuclei far from the stability line. We analyze the coupling between collective excitations of the emitted fragments and the relative motion, in terms of the coupled channels technique. It turns out that partial decay widths to excited states of emitted fragments are very sensitive to the nuclear structure details.

  18. 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.

  19. Nuclear structures in Tribolium castaneum oocytes.

    PubMed

    Bogolyubov, Dmitry S; Batalova, Florina M; Kiselyov, Artyom M; Stepanova, Irina S

    2013-10-01

    The first ultrastructural and immunomorphological characteristics of the karyosphere (karyosome) and extrachromosomal nuclear bodies in the red flour beetle, Tribolium castaneum, are presented. The karyosphere forms early in the diplotene stage of meiotic prophase by the gathering of all oocyte chromosomes in a limited nuclear volume. Using the BrUTP assay, T. castaneum oocyte chromosomes united in the karyosphere maintain their transcriptional activity until the end of oocyte growth. Hyperphosphorylated RNA polymerase II and basal transcription factors (TFIID and TFIIH) were detected in the perichromatin region of the karyosphere. The T. castaneum karyosphere has an extrachromosomal capsule that separates chromosomes from the rest of the nucleoplasm. Certain structural proteins (F-actin, lamin B) were found in the capsule. Unexpectedly, the karyosphere capsule in T. castaneum oocytes was found to be enriched in TMG-capped snRNAs, which suggests that the capsule is not only a structural support for the karyosphere, but may be involved in biogenesis of snRNPs. We also identified the counterparts of 'universal' extrachromosomal nuclear domains, Cajal bodies (CBs) and interchromatin granule clusters (IGCs). Nuclear bodies containing IGC marker protein SC35 display some features unusual for typical IGCs. SC35 domains in T. castaneum oocytes are predominantly fibrillar complex bodies that do not contain trimethyl guanosine (TMG)-capped small nuclear (sn) RNAs. Microinjections of 2'-O-methyl (U)22 probes into the oocytes allowed revealing poly(A)+ RNAs in these nuclear domains. Several proteins related to mRNA export (heterogeneous ribonucleoprotein core protein A1, export adapters Y14 and Aly and export receptor NXF1) were also detected there. We believe that unusual SC35 nuclear domains of T. castaneum oocytes are possibly involved in mRNP but not snRNP biogenesis.

  20. 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.

  1. Microstructural characterization and pore structure analysis of nuclear graphite

    NASA Astrophysics Data System (ADS)

    Kane, J.; Karthik, C.; Butt, D. P.; Windes, W. E.; Ubic, R.

    2011-08-01

    Graphite will be used as a structural and moderator material in next-generation nuclear reactors. While the overall nature of the production of nuclear graphite is well understood, the historic nuclear grades of graphite are no longer available. This paper reports the virgin microstructural characteristics of filler particles and macro-scale porosity in virgin nuclear graphite grades of interest to the Next Generation Nuclear Plant program. Optical microscopy was used to characterize filler particle size and shape as well as the arrangement of shrinkage cracks. Computer aided image analysis was applied to optical images to quantitatively determine the variation of pore structure, area, eccentricity, and orientation within and between grades. The overall porosity ranged between ˜14% and 21%. A few large pores constitute the majority of the overall porosity. The distribution of pore area in all grades was roughly logarithmic in nature. The average pore was best fit by an ellipse with aspect ratio of ˜2. An estimated 0.6-0.9% of observed porosity was attributed to shrinkage cracks in the filler particles. Finally, a preferred orientation of the porosity was observed in all grades.

  2. Microstructural Characterization and Pore Structure Analysis of Nuclear Graphite

    SciTech Connect

    J. Kane; C. Karthik; D. P. Butt; W. E. Windes; R. Ubic

    2011-08-01

    Graphite will be used as a structural and moderator material in next-generation nuclear reactors. While the overall nature of the production of nuclear graphite is well understood, the historic nuclear grades of graphite are no longer available. This paper reports the virgin microstructural characteristics of filler particles and macro-scale porosity in virgin nuclear graphite grades of interest to the Next Generation Nuclear Plant program. Optical microscopy was used to characterize filler particle size and shape as well as the arrangement of shrinkage cracks. Computer aided image analysis was applied to optical images to quantitatively determine the variation of pore structure, area, eccentricity, and orientation within and between grades. The overall porosity ranged between {approx}14% and 21%. A few large pores constitute the majority of the overall porosity. The distribution of pore area in all grades was roughly logarithmic in nature. The average pore was best fit by an ellipse with aspect ratio of {approx}2. An estimated 0.6-0.9% of observed porosity was attributed to shrinkage cracks in the filler particles. Finally, a preferred orientation of the porosity was observed in all grades.

  3. Dynamical symmetries in contemporary nuclear structure applications

    NASA Astrophysics Data System (ADS)

    Georgieva, A. I.; Ivanov, M. I.; Drenska, S. L.; Sviratcheva, K. D.; Draayer, J. P.

    2010-12-01

    In terms of group theory—the language of symmetries, the concept of spontaneous symmetry breaking is represented in terms of chains of group-subgroup structures that define the dynamical symmetry of the system under consideration. This framework enables exact analytic solutions of the associated eigenvalue problems. We review two types of applications of dynamical symmetries in contemporary theoretical nuclear structure physics: first for a classification of the many-body systems under consideration, with respect to an important characteristic of their behavior; and second for the creation of exactly solvable algebraic models that describe specific aspects of this behavior. This is illustrated with the boson and fermion realizations of symplectic structures. In the first case with an application of the sp(4, R) classification scheme of even-even nuclei within the major nuclear shells and next with of the sp(4) microscopic model for the description of isovector pairing correlations.

  4. 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.

  5. NEW WEB-BASED ACCESS TO NUCLEAR STRUCTURE DATASETS.

    SciTech Connect

    WINCHELL,D.F.

    2004-09-26

    As part of an effort to migrate the National Nuclear Data Center (NNDC) databases to a relational platform, a new web interface has been developed for the dissemination of the nuclear structure datasets stored in the Evaluated Nuclear Structure Data File and Experimental Unevaluated Nuclear Data List.

  6. Computational fluid dynamics studies of nuclear rocket performance

    SciTech Connect

    Stubbs, R.M.; Kim, S.C.; Benson, T.J.

    1994-06-01

    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.

  7. 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.

  8. 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.

  9. 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.

  10. 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.

  11. 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.

  12. 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.

  13. 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.

  14. 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…

  15. 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.

  16. Proton-neutron interaction and nuclear structure

    SciTech Connect

    Casten, R.F.

    1986-01-01

    The pervasive role of the proton-neutron interaction in nuclear structure is discussed. Particular emphasis is given to its influence on the onset of collectivity and deformation, on intruder states, and on the evolution of subshell structure. The N/sub p/N/sub n/ scheme is outlined and some applications of it to collective model calculations and to nuclei far off stability are described. The concept of N/sub p/N/sub n/ multiplets is introduced. 32 refs., 20 figs.

  17. 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.…

  18. 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.

  19. 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.

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

    SciTech Connect

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

    2005-05-24

    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.

  1. 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.

  2. 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.

  3. 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.

  4. 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.

  5. 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.

  6. 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.

  7. 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.

  8. 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

  9. 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.

  10. 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.

  11. Tungsten - Yttrium Based Nuclear Structural Materials

    NASA Astrophysics Data System (ADS)

    Ramana, Chintalapalle; Chessa, Jack; Martinenz, Gustavo

    2013-04-01

    The challenging problem currently facing the nuclear science community in this 21st century is design and development of novel structural materials, which will have an impact on the next-generation nuclear reactors. The materials available at present include reduced activation ferritic/martensitic steels, dispersion strengthened reduced activation ferritic steels, and vanadium- or tungsten-based alloys. These materials exhibit one or more specific problems, which are either intrinsic or caused by reactors. This work is focussed towards tungsten-yttrium (W-Y) based alloys and oxide ceramics, which can be utilized in nuclear applications. The goal is to derive a fundamental scientific understanding of W-Y-based materials. In collaboration with University of Califonia -- Davis, the project is designated to demonstrate the W-Y based alloys, ceramics and composites with enhanced physical, mechanical, thermo-chemical properties and higher radiation resistance. Efforts are focussed on understanding the microstructure, manipulating materials behavior under charged-particle and neutron irradiation, and create a knowledge database of defects, elemental diffusion/segregation, and defect trapping along grain boundaries and interfaces. Preliminary results will be discussed.

  12. 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.

  13. 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.

  14. 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.

  15. 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.

  16. 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.

  17. 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

  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. Effective Interactions for Nuclear Structure Calculations

    NASA Astrophysics Data System (ADS)

    Signoracci, Angelo

    Experimental interest in nuclei far from stability, especially due to proposed advancements in rare isotope facilities, has stimulated improvements in theoretical predictions of exotic isotopes. However, standard techniques developed for nuclear structure calculations, Configuration Interaction theory and Energy Density Functional methods, lack either the generality or the accuracy necessary for reliable calculations away from stability. Hybrid methods, which combine Configuration Interaction theory and Energy Density Functional methods in order to exploit their beneficial properties, are currently under investigation for improved theoretical capabilities. A new technique to produce nuclear Hamiltonians has been developed, implementing renormalization group methods, many-body perturbative techniques, and Energy Density Functional methods. Connection to the underlying physics is a primary focus, limiting the number of free parameters necessary in the procedure. The main benefit of this approach is the improvement in the quality of effective interactions outside of standard model spaces. In the Hybrid Renormalization Procedure developed in this dissertation, Skyrme energy density functionals provide a realistic single particle basis that accounts for the long tail of loosely bound orbits, especially significant for valence orbits of exotic isotopes. A microscopic nucleon-nucleon potential is softened with renormalization group techniques to eliminate the hard core of the nuclear interaction. Many-body perturbative techniques, in the form of Rayleigh-Schrodinger theory, implement the realistic basis to convert the low-momentum interaction into a model space of interest. The basis is an important ingredient in the renormalization and greatly affects the results obtained with the Hybrid Renormalization Procedure, specifically through the single particle energies derived from Skyrme functionals. A comparison of the standard harmonic oscillator basis and the realistic

  20. 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

    ... COMMISSION Configuration Management Plans for Digital Computer Software Used in Safety Systems of Nuclear... draft regulatory guide (DG), DG-1206, ``Configuration Management Plan for Digital Computer Software Used... Digital Computer Software Used in Safety Systems of Nuclear Power Plants'' is temporarily identified...

  1. The TRIUMF nuclear structure program and TIGRESS

    NASA Astrophysics Data System (ADS)

    Garrett, P. E.; Andreyev, A.; Austin, R. A. E.; Ball, G. C.; Bandyopadhyay, D.; Becker, J. A.; Boston, A. J.; Boston, H. C.; Chakrawarthy, 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. D.; Subramanian, M.; Svensson, C. E.; Waddington, J. C.; Wan, J.; Whitbeck, A.; Williams, S. J.; Wood, J. L.; Wong, J. C.; Wu, C. Y.; Zganjar, E. F.

    2007-08-01

    The isotope separator and accelerator (ISAC) facility located at the TRIUMF laboratory in Vancouver, Canada, is one of the world's most advanced isotope separator on-line-type radioactive ion beam facilities. An extensive γ-ray spectroscopy programme at ISAC is centred around two major research facilities: (i) the 8π γ-ray spectrometer for β-delayed γ-ray spectroscopy experiments with the low-energy beams from ISAC-I, and (ii) 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 programme of nuclear structure and fundamental interaction studies they support is presented.

  2. 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.

  3. 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.

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

    SciTech Connect

    Duran, Felicia Angelica; Waymire, Russell L.

    2013-10-01

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

  5. 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).

  6. 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.

  7. When Lamins Go Bad: Nuclear Structure and Disease

    PubMed Central

    Schreiber, Katherine H.; Kennedy, Brian K.

    2013-01-01

    When mutations in nuclear lamins were first identified in skeletal and cardiac muscle diseases, the molecular events underlying pathogenesis were mere points of speculation. As more and more unrelated diseases were linked to lamins and other nuclear envelope proteins, nuclear structure and disease became an increasingly prominent research focus. Today, the disease mechanisms remain unresolved, but incredible progress has occurred. Nuclear envelope dysfunction is not only associated with altered nuclear activity, but also impaired structural dynamics and aberrant cell signaling. Building on these findings, small molecules are being discovered in animal models that may become effective therapeutic agents. PMID:23498943

  8. 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.

  9. 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.

  10. 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.

  11. 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

  12. 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.

  13. 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.

  14. Nuclear Structure: Going Beyond Standard Methods

    NASA Astrophysics Data System (ADS)

    Glick, Jennifer; Zelevinsky, Vladimir

    2013-04-01

    Many features of nuclear structure in medium and heavy nuclei are traditionally described by methods borrowed from macroscopic many-body physics, such as random phase approximation (RPA), or pairing theory according to BCS and HFB. These methods are routinely used when the exact large-scale diagonalization of the Hamiltonian matrix is impossible. The approximations inherently present in such methods, being appropriate in macroscopic physics, may introduce substantial errors for mesoscopic systems, such as atomic nuclei or cold atoms in traps. We develop the theory of collective motion based on exact particle number conservation. The first applications to the ground state physics (collaboration with A. Volya) demonstrated that such an approach avoids well known deficiencies of the standard treatment. Now we apply the method to low-lying collective excitations which are even more sensitive to conservation laws. The new RPA version is reduced to the set of recurrence relations for neighboring nuclei. We show that it is especially important for the cases of strong anharmonicity and in the vicinity of the instability point. Other examples are discussed where the advance beyond standard approaches gives new physical results.

  15. Nuclear structure research. Annual progress report

    SciTech Connect

    Wood, J.L.

    1995-07-31

    The most significant development this year has been the realization of a method for estimating EO transition strength in nuclei and the prediction that the de-excitation (draining) of superdeformed bands must take place, at least in some cases, by strong EO transitions. A considerable effort has been devoted to planning the nuclear structure physics that will be pursued using the Holifield Radioactive Ion Beam Facility (HRIBF) at Oak Ridge. A significant effort has been devoted to HRIBF target development. This is a critical component of the HRIBF project. Exhaustive literature searches have been made for a variety of target materials with emphasis on thermodynamic properties. Vapor pressure measurements have been carried out. Experimental data sets for radioactive decays in the very neutron-deficient Pr-Eu and Ir-Tl regions have been under analysis. These decay schemes constitute parts of student Ph.D. theses. These studies are aimed at elucidating the onset of deformation in the Pr-Sm region and the characteristics of shape coexistence in the Ir-Bi region. Further experiments on shape coexistence in the neutron-deficient Ir-Bi region are planned using {alpha} decay studies at the FMA at ATLAS. The first experiment is scheduled for later this year.

  16. 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.

  17. 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.

  18. 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.

  19. 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.

  20. 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.

  1. 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.

  2. 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.

  3. 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

  4. 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

  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. Aging management of containment structures in nuclear power plants

    SciTech Connect

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

    1994-12-31

    Research is being conducted by ORNL under US Nuclear Regulatory Commission (USNRC) sponsorship to address aging management of nuclear power plant containment and other safety-related structures. Documentation is being prepared to provide the USNRC with potential structural safety issues and acceptance criteria for use in continued service evaluations of nuclear power plants. Accomplishments include development of a Structural Materials Information Center containing data and information on the time variation of 144 material properties under the influence of pertinent environmental stressors or aging factors, evaluation of models for potential concrete containment degradation factors, development of a procedure to identify critical structures and degradation factors important to aging management, evaluations of nondestructive evaluation techniques. assessments of European and North American repair practices for concrete, review of parameters affecting corrosion of metals embedded in concrete, and development of methodologies for making current condition assessments and service life predictions of new or existing reinforced concrete structures in nuclear power plants.

  7. 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.

  8. 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.

  9. 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

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

    PubMed

    Choi, Siwon; Wang, Wei; Ribeiro, Alexandrew J S; Kalinowski, Agnieszka; Gregg, Siobhan Q; Opresko, Patricia L; Niedernhofer, Laura J; Rohde, Gustavo K; Dahl, Kris Noel

    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.

  11. 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.

  12. 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.

  13. 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.

  14. Nuclear effects in the deuteron structure function

    NASA Astrophysics Data System (ADS)

    Epele, L. N.; Fanchiotti, H.; Canal, C. A. García; Sassot, R.

    1992-08-01

    An analysis of nuclear effects in the deuteron quark distributions is carried out in connection with the Gottfried sum rule (GSR), the Drell-Yan proton-neutron asymmetry and the Bjorken sum rule (BSR). It is shown that the small amount of nuclear effects necessary to saturate the GSR experimental data modifies the Drell-Yan asymmetry in an entirely different way as an asymmetric sea does. These effects are of little consequence in the convergence of the BSR to the expected value.

  15. 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.

  16. 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.

  17. 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.

  18. 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.

  19. (Workshop on nuclear structure in the era of new spectroscopy)

    SciTech Connect

    Garrett, J.D.

    1989-11-08

    The traveler lectured on New Ways to Look at Old (and New) Data'' and served as a study group chairman at the four-week-long Workshop on Nuclear Structure in the Era of New Spectroscopy, Part B: The Nucleus at High Spin, held at the Niels Bohr Institute, October 2--27, 1989. He also visited the Tandem Accelerator Laboratory of the Niels Bohr Institute and, during the workshop, discussed plans for new nuclear structure instrumentation with various European colleagues.

  20. 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.

  1. 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.

  2. 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.

  3. 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.

  4. Quantum wavepacket ab initio molecular dynamics: an approach for computing dynamically averaged vibrational spectra including critical nuclear quantum effects.

    PubMed

    Sumner, Isaiah; Iyengar, Srinivasan S

    2007-10-18

    We have introduced a computational methodology to study vibrational spectroscopy in clusters inclusive of critical nuclear quantum effects. This approach is based on the recently developed quantum wavepacket ab initio molecular dynamics method that combines quantum wavepacket dynamics with ab initio molecular dynamics. The computational efficiency of the dynamical procedure is drastically improved (by several orders of magnitude) through the utilization of wavelet-based techniques combined with the previously introduced time-dependent deterministic sampling procedure measure to achieve stable, picosecond length, quantum-classical dynamics of electrons and nuclei in clusters. The dynamical information is employed to construct a novel cumulative flux/velocity correlation function, where the wavepacket flux from the quantized particle is combined with classical nuclear velocities to obtain the vibrational density of states. The approach is demonstrated by computing the vibrational density of states of [Cl-H-Cl]-, inclusive of critical quantum nuclear effects, and our results are in good agreement with experiment. A general hierarchical procedure is also provided, based on electronic structure harmonic frequencies, classical ab initio molecular dynamics, computation of nuclear quantum-mechanical eigenstates, and employing quantum wavepacket ab initio dynamics to understand vibrational spectroscopy in hydrogen-bonded clusters that display large degrees of anharmonicities.

  5. Predicting toxicity through a computer automated structure evaluation program

    SciTech Connect

    Klopman, G.

    1985-09-01

    The computer automated structure evaluation program (CASE) has been extended to perform automatic quantitative structure-activity relationships (QSAR). Applications include the carcinogenicity of polycyclic aromatic hydrocarbons and of N-nitrosamines. Agreement with experiment is satisfactory.

  6. 95Mo nuclear magnetic resonance parameters of molybdenum hexacarbonyl from density functional theory: appraisal of computational and geometrical parameters.

    PubMed

    Cuny, Jérôme; Sykina, Kateryna; Fontaine, Bruno; Le Pollès, Laurent; Pickard, Chris J; Gautier, Régis

    2011-11-21

    Solid-state (95)Mo nuclear magnetic resonance (NMR) properties of molybdenum hexacarbonyl have been computed using density functional theory (DFT) based methods. Both quadrupolar coupling and chemical shift parameters were evaluated and compared with parameters of high precision determined using single-crystal (95)Mo NMR experiments. Within a molecular approach, the effects of major computational parameters, i.e. basis set, exchange-correlation functional, treatment of relativity, have been evaluated. Except for the isotropic parameter of both chemical shift and chemical shielding, computed NMR parameters are more sensitive to geometrical variations than computational details. Relativistic effects do not play a crucial part in the calculations of such parameters for the 4d transition metal, in particular isotropic chemical shift. Periodic DFT calculations were tackled to measure the influence of neighbouring molecules on the crystal structure. These effects have to be taken into account to compute accurate solid-state (95)Mo NMR parameters even for such an inorganic molecular compound.

  7. 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

  8. Present status and future of the shell model
  9. Effective interaction theories
  10. Experimental results and perspectives
  11. Few-body methods including ab initio calculations
  12. Advancements of mean-fieeld models
  13. Transition between shell and cluster structure>
  14. Nuclear astrophysics and nuclear structure>
  15. Particle physics and the shell model
  16. 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.

  17. 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.

  18. 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

  19. 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

  20. 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.

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

    PubMed

    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

    2015-12-17

    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.

  22. 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.

  23. QCD and a new paradigm for nuclear structure

    NASA Astrophysics Data System (ADS)

    Thomas, A. W.

    2016-09-01

    We review the reasons why one might choose to seriously re-examine the traditional approach to nuclear theory where nucleons are treated as immutable. This examination leads us to argue that the modification of the structure of the nucleon when immersed in a nuclear medium is fundamental to how atomic nuclei are built. Consistent with this approach we suggest key experiments which should tell us unambiguously whether there is such a change in the structure of a bound nucleon. We also briefly report on extremely promising recent calculations of the structure of nuclei across the periodic table based upon this idea.

  24. Rapidity correlation structure in nuclear collisions

    NASA Astrophysics Data System (ADS)

    Gavin, Sean; Moschelli, George; Zin, Christopher

    2016-08-01

    We show that measurements of the rapidity dependence of transverse momentum correlations can be used to determine the characteristic time τπ that dictates the rate of isotropization of the stress energy tensor, as well as the shear viscosity ν =η /s T . We formulate methods for computing these correlations using second-order dissipative hydrodynamics with noise. Current data are consistent with τπ/ν ˜10 , but targeted measurements can improve this precision.

  25. Phenomenological correlations in nuclear structure: An opportunity for nuclear astrophysics and a challenge to theory

    SciTech Connect

    Casten, R.F. ); Zamfir, N.V. Clark Univ., Worcester, MA )

    1992-01-01

    Though it often appears daunting in its complexity, nuclear data frequently exhibits remarkable simplicities when viewed from the appropriate perspectives. This realization, which is becoming more and more apparent, is one of the fruits of the vast amount of nuclear data that has been accumulated over many years but, surprisingly, has never been completely digested. This emerging, unified, and simple macroscopic phenomenology, aided by microscopic underpinnings and physical arguments, appears in many guises and often simplifies semi-empirical estimates of structure far from stability in the critical realms where nuclear astrophysics takes place and where it is in need for improved nuclear input. The generality of simple phenomenological relationships begs both for a sound theoretical basis and for the advent of Radioactive Nuclear Beams so that the reliability of their extrapolations can be assessed and tested. These issues will be discussed, and illustrated with a number of specific examples.

  26. Phenomenological correlations in nuclear structure: An opportunity for nuclear astrophysics and a challenge to theory

    SciTech Connect

    Casten, R.F.; Zamfir, N.V. |

    1992-12-01

    Though it often appears daunting in its complexity, nuclear data frequently exhibits remarkable simplicities when viewed from the appropriate perspectives. This realization, which is becoming more and more apparent, is one of the fruits of the vast amount of nuclear data that has been accumulated over many years but, surprisingly, has never been completely digested. This emerging, unified, and simple macroscopic phenomenology, aided by microscopic underpinnings and physical arguments, appears in many guises and often simplifies semi-empirical estimates of structure far from stability in the critical realms where nuclear astrophysics takes place and where it is in need for improved nuclear input. The generality of simple phenomenological relationships begs both for a sound theoretical basis and for the advent of Radioactive Nuclear Beams so that the reliability of their extrapolations can be assessed and tested. These issues will be discussed, and illustrated with a number of specific examples.

  27. 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).

  28. 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.

  29. 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.

  1. 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.

  2. 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.

  3. 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.

  4. 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...

  5. 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.

  6. 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.

  7. 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.

  8. 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.

  9. 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.

  10. 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.

  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. Use of computer simulations for the early introduction of nuclear engineering concepts

    SciTech Connect

    Ougouag, A.M.; Zerguini, T.H.

    1985-11-01

    A sophomore level nuclear engineering (NE) course is being introduced at the University of Illinois. Via computer simulations, this course presents materials covering the most important aspects of the field. It is noted that computer simulations in nuclear engineering are cheaper and safer than experiments yet they provide an effective teaching tool for the early introduction of advanced concepts. The new course material can be used as a tutorial and for remedial learning. The use of computer simulation motivates learning since students associate computer activities with games. Such a course can help in the dissemination of the proper information to students from different fields, including liberal arts, and eventually increase undergraduate student enrollment in nuclear engineering.

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

    DOE PAGES

    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

  14. 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

  15. A computational model for thermal fluid design analysis of nuclear thermal rockets

    SciTech Connect

    Given, J.A.; Anghaie, S.

    1997-01-01

    A computational model for simulation and design analysis of nuclear thermal propulsion systems has been developed. The model simulates a full-topping expander cycle engine system and the thermofluid dynamics of the core coolant flow, accounting for the real gas properties of the hydrogen propellant/coolant throughout the system. Core thermofluid studies reveal that near-wall heat transfer models currently available may not be applicable to conditions encountered within some nuclear rocket cores. Additionally, the possibility of a core thermal fluid instability at low mass fluxes and the effects of the core power distribution are investigated. Results indicate that for tubular core coolant channels, thermal fluid instability is not an issue within the possible range of operating conditions in these systems. Findings also show the advantages of having a nonflat centrally peaking axial core power profile from a fluid dynamic standpoint. The effects of rocket operating conditions on system performance are also investigated. Results show that high temperature and low pressure operation is limited by core structural considerations, while low temperature and high pressure operation is limited by system performance constraints. The utility of these programs for finding these operational limits, optimum operating conditions, and thermal fluid effects is demonstrated.

  16. 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.

  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. 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.

  19. Theoretical nuclear structure and astrophysics. Progress report for 1996

    SciTech Connect

    Guidry, M.W.; Nazarewicz, W.; Strayer, M.R.

    1996-12-31

    This research effort is directed toward theoretical support and guidance for the fields of radioactive ion beam physics, gamma ray spectroscopy, computational and nuclear astrophysics, and the interface between these disciplines. The authors report substantial progress in all those areas. One measure of progress is publications and invited material. The research described here has led to more than 43 papers that are published, accepted, or submitted to refereed journals, and to 15 invited presentations at conferences and workshops.

  20. 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.

  1. Topics on Nuclear Structure with Electroweak Probes

    NASA Astrophysics Data System (ADS)

    Moya de Guerra, E.; Moreno, O.; Sarriguren, P.; Ramon, M.

    2012-05-01

    We study some relevant aspects of complex nuclei structure using electroweak probes within the framework of self-consistent mean field theories with Skyrme density-dependent two-body interactions, including pairing and spin-isospin RPA correlations where necessary. We apply the formalism to the study of single and double beta decays as normal modes of the system, as well as to the analysis of parity-violating electron scattering by nuclei. Finally, we profit from the studied processes to draw some conclusions on the neutrino nature (eigenstates mixing).

  2. 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)

  3. 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.

  4. An Adaptive Evaluation Structure for Computer-Based Instruction.

    ERIC Educational Resources Information Center

    Welsh, William A.

    Adaptive Evaluation Structure (AES) is a set of linked computer programs designed to increase the effectiveness of interactive computer-assisted instruction at the college level. The package has four major features, the first of which is based on a prior cognitive inventory and on the accuracy and pace of student responses. AES adjusts materials…

  5. 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.

  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 is documented by this manual. A description of each dataset including its form, contents, and organization is presented.

  7. 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.

  8. Nuclear structure studies of 24F

    NASA Astrophysics Data System (ADS)

    Cáceres, L.; Lepailleur, A.; Sorlin, O.; Stanoiu, M.; Sohler, D.; Dombrádi, Zs.; Bogner, S. K.; Brown, B. A.; Hergert, H.; Holt, J. D.; Schwenk, A.; Azaiez, F.; Bastin, B.; Borcea, C.; Borcea, R.; Bourgeois, C.; Elekes, Z.; Fülöp, Zs.; Grévy, S.; Gaudefroy, L.; Grinyer, G. F.; Guillemaud-Mueller, D.; Ibrahim, F.; Kerek, A.; Krasznahorkay, A.; Lewitowicz, M.; Lukyanov, S. M.; Mrázek, J.; Negoita, F.; de Oliveira, F.; Penionzhkevich, Yu.-E.; Podolyák, Zs.; Porquet, M. G.; Rotaru, F.; Roussel-Chomaz, P.; Saint-Laurent, M. G.; Savajols, H.; Sletten, G.; Thomas, J. C.; Timàr, J.; Timis, C.; Vajta, Zs.

    2015-07-01

    The structure of the 24F nucleus has been studied at GANIL using the β decay of 24O and the in-beam γ -ray spectroscopy from the fragmentation of Na,2827,25,26Ne, and 29,30

  9. Multilevel methods for eigenspace computations in structural dynamics.

    SciTech Connect

    Arbenz, Peter; Lehoucq, Richard B.; Thornquist, Heidi K.; Bennighof, Jeff; Cochran, Bill; Hetmaniuk, Ulrich L.; Muller, Mark; Tuminaro, Raymond Stephen

    2005-01-01

    Modal analysis of three-dimensional structures frequently involves finite element discretizations with millions of unknowns and requires computing hundreds or thousands of eigenpairs. In this presentation we review methods based on domain decomposition for such eigenspace computations in structural dynamics. We distinguish approaches that solve the eigenproblem algebraically (with minimal connections to the underlying partial differential equation) from approaches that tightly couple the eigensolver with the partial differential equation.

  10. Self-consistent methods in nuclear structure physics

    SciTech Connect

    Dobaczewski, J. |

    1997-11-01

    The authors present a very brief description of the Hartree Fock method in nuclear structure physics, discuss the numerical methods used to solve the self-consistent equations, and analyze the precision and convergence properties of solutions. As an application, they present results pertaining to quadrupole moments and single-particle quadrupole polarizations in superdeformed nuclei with A {approximately} 60.

  11. 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

  12. 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.

  13. 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.

  14. 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

  15. Computing the Partition Function for Kinetically Trapped RNA Secondary Structures

    PubMed Central

    Lorenz, William A.; Clote, Peter

    2011-01-01

    An RNA secondary structure is locally optimal if there is no lower energy structure that can be obtained by the addition or removal of a single base pair, where energy is defined according to the widely accepted Turner nearest neighbor model. Locally optimal structures form kinetic traps, since any evolution away from a locally optimal structure must involve energetically unfavorable folding steps. Here, we present a novel, efficient algorithm to compute the partition function over all locally optimal secondary structures of a given RNA sequence. Our software, RNAlocopt runs in time and space. Additionally, RNAlocopt samples a user-specified number of structures from the Boltzmann subensemble of all locally optimal structures. We apply RNAlocopt to show that (1) the number of locally optimal structures is far fewer than the total number of structures – indeed, the number of locally optimal structures approximately equal to the square root of the number of all structures, (2) the structural diversity of this subensemble may be either similar to or quite different from the structural diversity of the entire Boltzmann ensemble, a situation that depends on the type of input RNA, (3) the (modified) maximum expected accuracy structure, computed by taking into account base pairing frequencies of locally optimal structures, is a more accurate prediction of the native structure than other current thermodynamics-based methods. The software RNAlocopt constitutes a technical breakthrough in our study of the folding landscape for RNA secondary structures. For the first time, locally optimal structures (kinetic traps in the Turner energy model) can be rapidly generated for long RNA sequences, previously impossible with methods that involved exhaustive enumeration. Use of locally optimal structure leads to state-of-the-art secondary structure prediction, as benchmarked against methods involving the computation of minimum free energy and of maximum expected accuracy. Web server

  16. Computing the partition function for kinetically trapped RNA secondary structures.

    PubMed

    Lorenz, William A; Clote, Peter

    2011-01-01

    An RNA secondary structure is locally optimal if there is no lower energy structure that can be obtained by the addition or removal of a single base pair, where energy is defined according to the widely accepted Turner nearest neighbor model. Locally optimal structures form kinetic traps, since any evolution away from a locally optimal structure must involve energetically unfavorable folding steps. Here, we present a novel, efficient algorithm to compute the partition function over all locally optimal secondary structures of a given RNA sequence. Our software, RNAlocopt runs in O(n3) time and O(n2) space. Additionally, RNAlocopt samples a user-specified number of structures from the Boltzmann subensemble of all locally optimal structures. We apply RNAlocopt to show that (1) the number of locally optimal structures is far fewer than the total number of structures--indeed, the number of locally optimal structures approximately equal to the square root of the number of all structures, (2) the structural diversity of this subensemble may be either similar to or quite different from the structural diversity of the entire Boltzmann ensemble, a situation that depends on the type of input RNA, (3) the (modified) maximum expected accuracy structure, computed by taking into account base pairing frequencies of locally optimal structures, is a more accurate prediction of the native structure than other current thermodynamics-based methods. The software RNAlocopt constitutes a technical breakthrough in our study of the folding landscape for RNA secondary structures. For the first time, locally optimal structures (kinetic traps in the Turner energy model) can be rapidly generated for long RNA sequences, previously impossible with methods that involved exhaustive enumeration. Use of locally optimal structure leads to state-of-the-art secondary structure prediction, as benchmarked against methods involving the computation of minimum free energy and of maximum expected accuracy

  17. Nuclear structure studies. [Dept. of Chemistry, Univ. of Maryland

    SciTech Connect

    Walters, W.B.

    1992-08-31

    New results are reported for the decay and nuclear orientation of [sup 114,116]I and [sup 114]Sb as well as data for the structure of daughter nuclides [sup 114,116]Te. New results for IBM-2 calculations for the structure of [sup 126]Xe are also reported. A new approach to the problem of the underproduction of A = 120 nuclides in the astrophysical r-process is reported.

  18. 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.

  19. 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.

  20. 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.

  1. Computational challenges of structure-based approaches applied to HIV.

    PubMed

    Forli, Stefano; Olson, Arthur J

    2015-01-01

    Here, we review some of the opportunities and challenges that we face in computational modeling of HIV therapeutic targets and structural biology, both in terms of methodology development and structure-based drug design (SBDD). Computational methods have provided fundamental support to HIV research since the initial structural studies, helping to unravel details of HIV biology. Computational models have proved to be a powerful tool to analyze and understand the impact of mutations and to overcome their structural and functional influence in drug resistance. With the availability of structural data, in silico experiments have been instrumental in exploiting and improving interactions between drugs and viral targets, such as HIV protease, reverse transcriptase, and integrase. Issues such as viral target dynamics and mutational variability, as well as the role of water and estimates of binding free energy in characterizing ligand interactions, are areas of active computational research. Ever-increasing computational resources and theoretical and algorithmic advances have played a significant role in progress to date, and we envision a continually expanding role for computational methods in our understanding of HIV biology and SBDD in the future.

  2. 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.

  3. 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.

  4. Nuclear structure studies with gamma-ray beams

    DOE PAGES

    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.

  5. 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.

  6. 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.

  7. 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.

  8. Computer programs for absolute neutron activation analysis on the nuclear data 6620 data acquisition system

    SciTech Connect

    Wade, J.W.; Emery, J.F.

    1982-03-01

    Five computer programs that provide multielement neutron activation analysis are discussed. The software package was designed for use on the Nuclear Data 6620 Data Acquisition System and interacts with existing Nuclear Data Corporation software. The programs were developed to make use of the capabilities of the 6620 system to analyze large numbers of samples and assist in a large sample workload that had begun in the neutron activation analysis facility of the Oak Ridge Research Reactor. Nuclear Data neutron activation software is unable to perform absolute activation analysis and therefore was inefficient and inadequate for our applications.

  9. 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.

  10. Structural integrity of a confinement vessel for testing nuclear fuels for space propulsion

    NASA Astrophysics Data System (ADS)

    Bergmann, V. L.

    Nuclear propulsion systems for rockets could significantly reduce the travel time to distant destinations in space. However, long before such a concept can become reality, a significant effort must be invested in analysis and ground testing to guide the development of nuclear fuels. Any testing in support of development of nuclear fuels for space propulsion must be safely contained to prevent the release of radioactive materials. This paper describes analyses performed to assess the structural integrity of a test confinement vessel. The confinement structure, a stainless steel pressure vessel with bolted flanges, was designed for operating static pressures in accordance with the ASME Boiler and Pressure Vessel Code. In addition to the static operating pressures, the confinement barrier must withstand static overpressures from off-normal conditions without releasing radioactive material. Results from axisymmetric finite element analyses are used to evaluate the response of the confinement structure under design and accident conditions. For the static design conditions, the stresses computed from the ASME code are compared with the stresses computed by the finite element method.

  11. 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).

  12. Nonuniform nuclear structures and QPOs in giant flares

    NASA Astrophysics Data System (ADS)

    Sotani, Hajime

    2012-11-01

    We show that the shear modes in the neutron star crust are quite sensitive to the existence of nonuniform nuclear structures, the so-called ``pasta''. Due to the existence of pasta phase, the frequencies of shear modes are reduced. Since the torsional shear frequencies depend strongly on the structure of pasta phase, through the observations of stellar oscillations, one can probe the pasta structure in the crust. Additionally, considering the effect of pasta phase, we show the possibility to explain all the observed frequencies in the SGR 1806-20 with using only crust torsional oscillations.

  13. 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

  14. Probing nuclear bubble structure via neutron star asteroseismology

    NASA Astrophysics Data System (ADS)

    Sotani, Hajime; Iida, Kei; Oyamatsu, Kazuhiro

    2016-10-01

    We consider torsional oscillations that are trapped in a layer of spherical-hole (bubble) nuclear structure, which is expected to occur in the deepest region of the inner crust of a neutron star. Because this layer intervenes between the phase of slab nuclei and the outer core of uniform nuclear matter, torsional oscillations in the bubble phase can be excited separately from usual crustal torsional oscillations. We find from eigenmode analyses for various models of the equation of state of uniform nuclear matter that the fundamental frequencies of such oscillations are almost independent of the incompressibility of symmetric nuclear matter, but strongly depend on the slope parameter of the nuclear symmetry energy L. Although the frequencies are also sensitive to the entrainment effect, i.e., what portion of nucleons outside bubbles contribute to the oscillations, by having such a portion fixed, we can successfully fit the calculated fundamental frequencies of torsional oscillations in the bubble phase inside a star of specific mass and radius as a function of L. By comparing the resultant fitting formula to the frequencies of quasi-periodic oscillations (QPOs) observed from the soft-gamma repeaters, we find that each of the observed low-frequency QPOs can be identified either as a torsional oscillation in the bubble phase or as a usual crustal oscillation, given generally accepted values of L for all the stellar models considered here.

  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.

  16. 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

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

    NASA Astrophysics Data System (ADS)

    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.

    2012-12-01

    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. We illustrate significant milestones accomplished by UNEDF through integrative solutions using the most reliable theoretical approaches, most advanced algorithms, and leadership-class computational resources.

  18. 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.

  19. 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.

  20. Parallel computation of geometry control in adaptive truss structures

    NASA Technical Reports Server (NTRS)

    Ramesh, A. V.; Utku, S.; Wada, B. K.

    1992-01-01

    The fast computation of geometry control in adaptive truss structures involves two distinct parts: the efficient integration of the inverse kinematic differential equations that govern the geometry control and the fast computation of the Jacobian, which appears on the right-hand-side of the inverse kinematic equations. This paper present an efficient parallel implementation of the Jacobian computation on an MIMD machine. Large speedup from the parallel implementation is obtained, which reduces the Jacobian computation to an O(M-squared/n) procedure on an n-processor machine, where M is the number of members in the adaptive truss. The parallel algorithm given here is a good candidate for on-line geometry control of adaptive structures using attached processors.

  1. 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…

  2. 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

  3. 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)

  4. Computational analysis of RNA structures with chemical probing data.

    PubMed

    Ge, Ping; Zhang, Shaojie

    2015-06-01

    RNAs play various roles, not only as the genetic codes to synthesize proteins, but also as the direct participants of biological functions determined by their underlying high-order structures. Although many computational methods have been proposed for analyzing RNA structures, their accuracy and efficiency are limited, especially when applied to the large RNAs and the genome-wide data sets. Recently, advances in parallel sequencing and high-throughput chemical probing technologies have prompted the development of numerous new algorithms, which can incorporate the auxiliary structural information obtained from those experiments. Their potential has been revealed by the secondary structure prediction of ribosomal RNAs and the genome-wide ncRNA function annotation. In this review, the existing probing-directed computational methods for RNA secondary and tertiary structure analysis are discussed.

  5. 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.

  6. TAS measurements for reactor physics and nuclear structure

    NASA Astrophysics Data System (ADS)

    Algora, A.; Jordan, D.; Taín, J. L.; Rubio, B.; Agramunt, J.; Caballero, L.; Nácher, E.; Perez-Cerdan, A. B.; Molina, F.; Estevez, E.; Krasznahorkay, A.; Hunyadi, M. D.; Gulyás, J.; Vitéz, A.; Csatlós, M.; Csige, L.; ńysto, J.; Penttilä, H.; Rinta-Antila, S.; Moore, I.; Eronen, T.; Jokinen, A.; Nieminen, A.; Hakala, J.; Karvonen, P.; Kankainen, A.; Hager, U.; Sonoda, T.; Saastamoinen, A.; Rissanen, J.; Kessler, T.; Weber, C.; Ronkainen, J.; Rahaman, S.; Elomaa, V.; Burkard, K.; Hüller, W.; Batist, L.; Gelletly, W.; Nichols, A. L.; Yoshida, T.; Sonzogni, A. A.; Peräjärvi, K.

    2011-10-01

    In this contribution we will present recent total absorption measurements of the beta decay of neutron-rich nuclei performed at the IGISOL facility of the Univ. of Jyväskyla. In the measurements the JYFL Penning Trap was used as a high resolution isobaric separator. The total absorption technique will be described and the impact of recent results in the fields of reactor physics (decay heat calculations) and nuclear structure will be discussed.

  7. 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

  8. Computational structures technology at Grumman: Current practice/future needs

    NASA Astrophysics Data System (ADS)

    Pifko, Allan B.; Eidinoff, Harvey

    1992-05-01

    The current practice for the design analysis of new airframe structural systems is to construct a master finite element model of the vehicle in order to develop internal load distributions. The inputs to this model include the geometry which is taken directly from CADAM and CATIA structural layout and aerodynamic loads and mass distribution computer models. This master model is sufficiently detailed to define major load paths and for the computation of dynamic mode shapes and structural frequencies, but not detailed enough to define local stress gradients and notch stresses. This master model is then used to perform structural optimization studies that will provide minimum weights for major structural members. The post-processed output from the master model, load, stress, and strain analysis is then used by structural analysts to perform detailed stress analysis of local regions in order to design local structure with all its required details. This local analysis consists of hand stress analysis and life prediction analysis with the assistance of manuals, design charts, computer stress and structural life analysis and sometimes finite element or boundary element analysis. The resulting design is verified by fatigue tests.

  9. Computational structures technology at Grumman: Current practice/future needs

    NASA Technical Reports Server (NTRS)

    Pifko, Allan B.; Eidinoff, Harvey

    1992-01-01

    The current practice for the design analysis of new airframe structural systems is to construct a master finite element model of the vehicle in order to develop internal load distributions. The inputs to this model include the geometry which is taken directly from CADAM and CATIA structural layout and aerodynamic loads and mass distribution computer models. This master model is sufficiently detailed to define major load paths and for the computation of dynamic mode shapes and structural frequencies, but not detailed enough to define local stress gradients and notch stresses. This master model is then used to perform structural optimization studies that will provide minimum weights for major structural members. The post-processed output from the master model, load, stress, and strain analysis is then used by structural analysts to perform detailed stress analysis of local regions in order to design local structure with all its required details. This local analysis consists of hand stress analysis and life prediction analysis with the assistance of manuals, design charts, computer stress and structural life analysis and sometimes finite element or boundary element analysis. The resulting design is verified by fatigue tests.

  10. 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.

  11. 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

  12. 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.

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

    PubMed

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

    2016-02-15

    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.

  14. 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.

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

    PubMed

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

    2015-11-01

    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.

  16. A computational tool to design and generate crystal structures

    NASA Astrophysics Data System (ADS)

    Ferreira, R. C.; Vieira, M. B.; Dantas, S. O.; Lobosco, M.

    2014-03-01

    The evolution of computers, more specifically regarding the increased storage and data processing capacity, allowed the construction of computational tools for the simulation of physical and chemical phenomena. Thus, practical experiments are being replaced, in some cases, by computational ones. In this context, we can highlight models used to simulate different phenomena on atomic scale. The construction of these simulators requires, by developers, the study and definition of accurate and reliable models. This complexity is often reflected in the construction of complex simulators, which simulate a limited group of structures. Such structures are sometimes expressed in a fixed manner using a limited set of geometric shapes. This work proposes a computational tool that aims to generate a set of crystal structures. The proposed tool consists of a) a programming language, which is used to describe the structures using for this purpose their characteristic functions and CSG (Constructive Solid Geometry) operators, and b) a compiler/interpreter that examines the source code written in the proposed language, and generates the objects accordingly. This tool enables the generation of an unrestricted number of structures, which can be incorporated in simulators such as the Monte Carlo Spin Engine, developed by our group at UFJF.

  17. The nucleolus: a raft adrift in the nuclear sea or the keystone in nuclear structure?

    PubMed

    O'Sullivan, Justin M; Pai, Dave A; Cridge, Andrew G; Engelke, David R; Ganley, Austen R D

    2013-06-01

    The nucleolus is a prominent nuclear structure that is the site of ribosomal RNA (rRNA) transcription, and hence ribosome biogenesis. Cellular demand for ribosomes, and hence rRNA, is tightly linked to cell growth and the rRNA makes up the majority of all the RNA within a cell. To fulfill the cellular demand for rRNA, the ribosomal RNA (rDNA) genes are amplified to high copy number and transcribed at very high rates. As such, understanding the rDNA has profound consequences for our comprehension of genome and transcriptional organization in cells. In this review, we address the question of whether the nucleolus is a raft adrift the sea of nuclear DNA, or actively contributes to genome organization. We present evidence supporting the idea that the nucleolus, and the rDNA contained therein, play more roles in the biology of the cell than simply ribosome biogenesis. We propose that the nucleolus and the rDNA are central factors in the spatial organization of the genome, and that rapid alterations in nucleolar structure in response to changing conditions manifest themselves in altered genomic structures that have functional consequences. Finally, we discuss some predictions that result from the nucleolus having a central role in nuclear organization.

  18. Coarse-node computations with an adaptive node structure

    SciTech Connect

    Tzanos, C.P.

    1988-01-01

    The analysis with COMMIX of liquid metal reactor (LMR) intermediate heat exchanger (IHX) transients that are characterized by low flows, and especially imbalanced low flows, shows that if a coarse-node structure is used the predicted temperatures are significantly different than those given by a fine-node structure. If a fine-node structure is used, for problems that involve a large part of the plant, the computation time becomes excessive. This paper presents an improved version of an adaptive node structure. At this stage this version has been applied only to one-dimensional problems.

  19. 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.''...

  20. 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

  1. 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

  2. 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.

  3. Effect of nuclear hyperfine structure on microwave spectral pressure broadening

    NASA Astrophysics Data System (ADS)

    Green, Sheldon

    1988-06-01

    The spectral pressure broadening formalism of Ben-Reuven [Phys. Rev. 145, 7 (1966)] is applied to rotational transitions of a closed-shell linear molecule with nuclear quadrupole hyperfine structure (hfs) due to a nucleus of spin I. If, as expected, nuclear spin does not affect molecular collision dynamics, generalized pressure broadening cross sections can be expressed in terms of the spin-free collisional S matrices. For the three hfs components of the lowest j=0-1 rotational transition, the line shape is a simple sum of three noninterfering Lorentzians each of which has the same width and shift as would be expected in the absence of nuclear spin. For higher rotational transitions, however, the line shape is no longer so simple; in general, each hfs component is described by a different width and shift, and collisions transfer intensity among them. Numerical results for HCN broadened by He atoms are presented using both the accurate close coupling (CC) collision formalism and also the infinite order sudden (IOS) approximation. For the case that broadening is very large compared with the hfs splittings it is shown (numerically, within the IOS approximation) that the line shape is nearly (but not exactly, except for j=0-1 as noted above) a Lorentzian with the same width as would be expected in the absence of nuclear spin.

  4. 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.

  5. 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.

  6. 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).

  7. 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

  8. 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.

  9. Study of Exotic Nuclear Structures via Total Reaction Cross Sections

    NASA Astrophysics Data System (ADS)

    Takechi, Maya

    2009-10-01

    Nuclear radius is one of the most basic physical quantities to study unknown exotic nuclei. A number of radii for unstable nuclei were studied through measurements of interaction cross sections (σI) at high energies, using the Glauber-type calculation (Optical-Limit approximation (OLA) of Glauber theory) to investigate halo and skin structures of exotic nuclei. On the other hand, it was indicated that reaction cross sections (σR) at intermediate energies (from several tens to hundreds of MeV/nucleon) were more sensitive to dilute nucleon density distribution owing to large nucleon-nucleon total cross sections (σNN) compared to high-energy region. Recently, we developed a new method to deduce nucleon density distributions from the energy dependences of σ R, through the precise measurements of σ R for various nuclei and some modifications of Glauber-type calculation. Using this method, we studied nucleon density distributions of light nuclei by measuring σ R for those nuclei at HIMAC (Heavy ion Medical Accelerator in CHIBA), NIRS (National Institute of Radiological Sciences). And very recently, we deduced nuclear radii of neutron-rich Ne isotopes (^28-32Ne) which are in the island-of-inversion region by measuring σI using BigRIPS at RIBF (RI Beam Factory) to study nuclear structures of those isotopes using our method. In this workshop, results of nucleon density distributions obtained at HIMAC and results of the studies of Ne isotopes at RIBF will be introduced and discussed.

  10. 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.

  11. 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.

  12. 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.

  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. 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.

  16. 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.…

  17. 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.

  18. 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…

  19. Structure, function, and behaviour of computational models in systems biology

    PubMed Central

    2013-01-01

    Background Systems Biology develops computational models in order to understand biological phenomena. The increasing number and complexity of such “bio-models” necessitate computer support for the overall modelling task. Computer-aided modelling has to be based on a formal semantic description of bio-models. But, even if computational bio-models themselves are represented precisely in terms of mathematical expressions their full meaning is not yet formally specified and only described in natural language. Results We present a conceptual framework – the meaning facets – which can be used to rigorously specify the semantics of bio-models. A bio-model has a dual interpretation: On the one hand it is a mathematical expression which can be used in computational simulations (intrinsic meaning). On the other hand the model is related to the biological reality (extrinsic meaning). We show that in both cases this interpretation should be performed from three perspectives: the meaning of the model’s components (structure), the meaning of the model’s intended use (function), and the meaning of the model’s dynamics (behaviour). In order to demonstrate the strengths of the meaning facets framework we apply it to two semantically related models of the cell cycle. Thereby, we make use of existing approaches for computer representation of bio-models as much as possible and sketch the missing pieces. Conclusions The meaning facets framework provides a systematic in-depth approach to the semantics of bio-models. It can serve two important purposes: First, it specifies and structures the information which biologists have to take into account if they build, use and exchange models. Secondly, because it can be formalised, the framework is a solid foundation for any sort of computer support in bio-modelling. The proposed conceptual framework establishes a new methodology for modelling in Systems Biology and constitutes a basis for computer-aided collaborative research

  20. 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

  1. 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)

  2. Beta delayed neutrons for nuclear structure and astrophysics

    NASA Astrophysics Data System (ADS)

    Grzywacz, Robert

    2014-09-01

    Beta-delayed neutron emission (β xn) is a significant or even dominant decay channel for the majority of very neutron-rich nuclei, especially for those on the r-process path. The recent theoretical models predicts that it may play more significant role then previously expected for astrophysics and this realization instigated a renewed experimental interest in this topic as a part of a larger scope of research on beta-decay strength distribution. Because studies of the decay strength directly probe relevant physics on the microscopic level, energy-resolved measurements of the beta-decay strength distribution is a better test of nuclear models than traditionally used experimental observables like half-lives and neutron branching ratios. A new detector system called the Versatile Array of Neutron Detectors at Low Energy (VANDLE) was constructed to directly address this issue. In its first experimental campaign at the Holifield Radioactive Ion Beam Facility neutron energy spectra in key regions of the nuclear chart were measured: near the shell closures at 78Ni and 132Sn, and for the deformed nuclei near 100Rb. In several cases, unexpectedly intense and concentrated, resonant-like, high-energy neutron structures were observed. These results were interpreted within shell model framework which clearly indicated that these neutron emission is driven by nuclear structure effects and are due to large Gamow-Teller type transition matrix elements. This research was sponsored in part by the National Nuclear Security Administration under the Stewardship Science Academic Alliances program through DOE Cooperative Agreement No. DE-FG52-08NA28552.

  3. Nuclear PTEN tumor-suppressor functions through maintaining heterochromatin structure.

    PubMed

    Gong, Lili; Govan, Jeane M; Evans, Elizabeth B; Dai, Hui; Wang, Edward; Lee, Szu-Wei; Lin, Hui-Kuan; Lazar, Alexander J; Mills, Gordon B; Lin, Shiaw-Yih

    2015-01-01

    The tumor suppressor, PTEN, is one of the most commonly mutated genes in cancer. Recently, PTEN has been shown to localize in the nucleus and is required to maintain genomic stability. Here, we show that nuclear PTEN, independent of its phosphatase activity, is essential for maintaining heterochromatin structure. Depletion of PTEN leads to loss of heterochromatic foci, decreased chromatin compaction, overexpression of heterochromatic genes, and reduced protein stability of heterochromatin protein 1 α. We found that the C-terminus of PTEN is required to maintain heterochromatin structure. Additionally, cancer-associated PTEN mutants lost their tumor-suppressor function when their heterochromatin structure was compromised. We propose that this novel role of PTEN accounts for its function in guarding genomic stability and suppressing tumor development. PMID:25946202

  4. Nuclear PTEN tumor-suppressor functions through maintaining heterochromatin structure

    PubMed Central

    Gong, Lili; Govan, Jeane M; Evans, Elizabeth B; Dai, Hui; Wang, Edward; Lee, Szu-Wei; Lin, Hui-Kuan; Lazar, Alexander J; Mills, Gordon B; Lin, Shiaw-Yih

    2015-01-01

    The tumor suppressor, PTEN, is one of the most commonly mutated genes in cancer. Recently, PTEN has been shown to localize in the nucleus and is required to maintain genomic stability. Here, we show that nuclear PTEN, independent of its phosphatase activity, is essential for maintaining heterochromatin structure. Depletion of PTEN leads to loss of heterochromatic foci, decreased chromatin compaction, overexpression of heterochromatic genes, and reduced protein stability of heterochromatin protein 1 α. We found that the C-terminus of PTEN is required to maintain heterochromatin structure. Additionally, cancer-associated PTEN mutants lost their tumor-suppressor function when their heterochromatin structure was compromised. We propose that this novel role of PTEN accounts for its function in guarding genomic stability and suppressing tumor development. PMID:25946202

  5. 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.

  6. Computer model for selecting flow measuring structures in open channels

    SciTech Connect

    Hickey, M. J.

    1980-01-01

    Quantifying various pollutants in natural waterways has received increased emphasis with more stringent regulations issued by the Environmental Protection Agency (E.P.A.). Measuring natural stream fows presents a magnitude of problems, the most significant is the type of structure needed to measure the flows at the desired level of accuracy. A computer model designed to select a structure to best fit the engineer's needs is under development. This model, given the pertinent boundary conditions, will pinpoint the structure most suitable, if one exists. This selection process greatly facilitates the old selection process of trial and error.

  7. 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.

  8. 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

  9. 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.

  10. Increased reliability of nuclear magnetic resonance protein structures by consensus structure bundles.

    PubMed

    Buchner, Lena; Güntert, Peter

    2015-02-01

    Nuclear magnetic resonance (NMR) structures are represented by bundles of conformers calculated from different randomized initial structures using identical experimental input data. The spread among these conformers indicates the precision of the atomic coordinates. However, there is as yet no reliable measure of structural accuracy, i.e., how close NMR conformers are to the "true" structure. Instead, the precision of structure bundles is widely (mis)interpreted as a measure of structural quality. Attempts to increase precision often overestimate accuracy by tight bundles of high precision but much lower accuracy. To overcome this problem, we introduce a protocol for NMR structure determination with the software package CYANA, which produces, like the traditional method, bundles of conformers in agreement with a common set of conformational restraints but with a realistic precision that is, throughout a variety of proteins and NMR data sets, a much better estimate of structural accuracy than the precision of conventional structure bundles.

  11. 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.

  12. 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)

  13. Disentangling effects of nuclear structure in heavy element formation.

    PubMed

    Hinde, D J; Thomas, R G; du Rietz, R; 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 232Cm, 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.

  14. Grain boundary engineering for structure materials of nuclear reactors

    NASA Astrophysics Data System (ADS)

    Tan, L.; Allen, T. R.; Busby, J. T.

    2013-10-01

    Grain boundary engineering (GBE), primarily implemented by thermomechanical processing, is an effective and economical method of enhancing the properties of polycrystalline materials. Among the factors affecting grain boundary character distribution, literature data showed definitive effect of grain size and texture. GBE is more effective for austenitic stainless steels and Ni-base alloys compared to other structural materials of nuclear reactors, such as refractory metals, ferritic and ferritic-martensitic steels, and Zr alloys. GBE has shown beneficial effects on improving the strength, creep strength, and resistance to stress corrosion cracking and oxidation of austenitic stainless steels and Ni-base alloys.

  15. 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.

  16. 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.

  17. Development and assessment of U.S. Nuclear Regulatory Commission thermal-hydraulic system computer codes

    SciTech Connect

    Shotkin, L.M.

    1996-11-01

    A review is provided of the reasons why the US Nuclear Regulatory Commission needs thermal-hydraulic system computer codes, the assumptions and approximations contained within these codes, and the reasons why test data are required to assess the accuracy of the codes. Specific examples of codes and test programs are given. The use of computer codes assessed against data from scaled test facilities to predict the full-scale plant response is discussed. A method to help focus resources and the need for quantifying code uncertainties are discussed. This paper concentrates on the loss-of-coolant accident (LOCA) because most of the analytical and experimental research has been concentrated in LOCAs.

  18. 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.

  19. 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.

  20. Determination of three-dimensional structures of proteins and nucleic acids in solution by nuclear magnetic resonance spectroscopy.

    PubMed

    Clore, G M; Gronenborn, A M

    1989-01-01

    Nuclear magnetic resonance (NMR) spectroscopy has evolved over the last decade into a powerful method for determining three-dimensional structures of biological macromolecules in solution. Key advances have been the introduction of two-dimensional experiments, high-field superconducting magnets, and computational procedures for converting the NMR-derived interproton distances and torsion angles into three-dimensional structures. This article outlines the methodology employed, describes the major NMR experiments necessary for the spectral analysis of macromolecules, and discusses the computational approaches employed to date. The present state of the art is illustrated using a variety of examples, and future developments are indicated.

  1. Coupled explosive/structure computational techniques at Sandia National Laboratories

    SciTech Connect

    Preece, D.S.; Attaway, S.W.; Swegle, J.W.

    1997-06-01

    Simulation of the effects of explosives on structures is a challenge because the explosive response can best be simulated using Eulerian computational techniques and structural behavior is best modeled using Lagrangian methods. Due to the different methodology of the two computational techniques and code architecture requirements, they are usually implemented in different computer programs. Explosive and structure modeling in two different codes make it difficult or next to impossible to do coupled explosive/structure interaction simulations. Sandia National Laboratories has developed two techniques for solving this problem. The first is called Smoothed Particle Hydrodynamics (SPH), a relatively new gridless method comparable to Eulerian, that is especially suited for treating liquids and gases such as those produced by an explosive. The SPH capability has been fully implemented into the transient dynamics finite element (Lagrangian) codes PRONTO-2D and -3D. A PRONTO-3D/SPH simulation of the effect of a blast on a protective-wall barrier is presented in this paper. The second technique employed at Sandia uses a new code called Zapotec that combines the 3-D Eulerian code CTH and the Lagrangian code PRONTO-3D with minimal changes to either code. CTH and PRONTO-3D are currently executing on the Sandia Terraflops machine (9000 Pentium Pro processors). Eulerian simulations with 100 million cells have been completed on the current configuration of the machine (4500 Pentium Pro processors). The CTH and PRONTO-3D combination will soon be executing in a coupled fashion on this machine.

  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. 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.

  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. 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

  6. 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

    2016-08-09

    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.

  7. 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

    ... COMMISSION Software Unit Testing for Digital Computer Software Used in Safety Systems of Nuclear Power Plants... regulatory guide (DG), DG-1208, ``Software Unit Testing for Digital Computer Software used in Safety Systems... revision endorses, with clarifications, the enhanced consensus practices for testing of computer...

  8. 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

    ... COMMISSION Test Documentation for Digital Computer Software Used in Safety Systems of Nuclear Power Plants... regulatory guide (DG), DG-1207, ``Test Documentation for Digital Computer Software used in Safety Systems of... software and computer systems as described in the Institute of Electrical and Electronics Engineers...

  9. 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.

  10. Achievements and challenges in structural bioinformatics and computational biophysics

    PubMed Central

    Samish, Ilan; Bourne, Philip E.; Najmanovich, Rafael J.

    2015-01-01

    Motivation: The field of structural bioinformatics and computational biophysics has undergone a revolution in the last 10 years. Developments that are captured annually through the 3DSIG meeting, upon which this article reflects. Results: An increase in the accessible data, computational resources and methodology has resulted in an increase in the size and resolution of studied systems and the complexity of the questions amenable to research. Concomitantly, the parameterization and efficiency of the methods have markedly improved along with their cross-validation with other computational and experimental results. Conclusion: The field exhibits an ever-increasing integration with biochemistry, biophysics and other disciplines. In this article, we discuss recent achievements along with current challenges within the field. Contact: Rafael.Najmanovich@USherbrooke.ca PMID:25488929

  11. 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

  12. 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

  13. 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.

  14. Direct reactions for nuclear structure required for fundamental symmetry tests

    NASA Astrophysics Data System (ADS)

    Garrett, P. E.; Rand, E. T.; Diaz Varela, A.; Ball, G. C.; Bildstein, V.; Faestermann, T.; Hadinia, B.; Hertenberger, R.; Jamieson, D. S.; Jigmeddorj, B.; Leach, K. G.; Svensson, C. E.; Wirth, H.-F.

    2016-09-01

    A program of nuclear structure studies to support fundamental symmetry tests has been initiated. Motivated by the search for an electric dipole moment in 199Hg, the structure in the vicinity has been explored via direct reaction studies. To date, these have included the 198,200Hg(d, d') inelastic scattering reactions, with the aim to obtain information on the E2 and E3 strength distributions, and the 198Hg(d, p) and 200Hg(d, t) reactions to obtain information on the single-particle states in 199Hg. The studies using the 200Hg targets have been fully analyzed using the FRESCO reaction code yielding the E2 and E3 strength distribution to 4 MeV in excitation energy, and the (d, t) single- particle strength to over 3 MeV in excitation energy.

  15. 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.

  16. 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

  17. 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.

  18. 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).

  19. 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.

  20. 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.

  1. 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.

  2. Computer Simulation of Sexual Selection on Age-Structured Populations

    NASA Astrophysics Data System (ADS)

    Martins, S. G. F.; Penna, T. J. P.

    Using computer simulations of a bit-string model for age-structured populations, we found that sexual selection of older males is advantageous, from an evolutionary point of view. These results are in opposition to a recent proposal of females choosing younger males. Our simulations are based on findings from recent studies of polygynous bird species. Since secondary sex characters are found mostly in males, we could make use of asexual populations that can be implemented in a fast and efficient way.

  3. 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.

  4. 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

  5. Computation of the optical properties of nonideal multilayer structures.

    PubMed

    Abuel-Haija, A J; Madjid, A H

    1979-09-15

    A general computer program was developed to calculate the reflectivity, transmissivity, and absorptivity of nonideal multilayer structure devices. The program allows for error-based variation in layer thicknesses and also for the formation of interfacial layers between the primary layers. The main text of the program consists of the calculation of the matrix elements of the characteristic matrix T for any given two-component layer structure. The treatment is not restricted to any particular range of wavelength, type of material forming the layer structure, or number of layers in the chosen system. The pertinent parameters entering the calculations are the thicknesses of the individual layers (which are permitted to vary randomly within some limit of error); the thicknesses of the interfacial layers; the complex indices of refraction of the substrate, the pertinent layers, and the surrounding ambience; and the structural makeup of the layer stacking.

  6. 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.

  7. Computer-aided prediction of RNA secondary structures.

    PubMed Central

    Auron, P E; Rindone, W P; Vary, C P; Celentano, J J; Vournakis, J N

    1982-01-01

    A brief survey of computer algorithms that have been developed to generate predictions of the secondary structures of RNA molecules is presented. Two particular methods are described in some detail. The first utilizes a thermodynamic energy minimization algorithm that takes into account the likelihood that short-range folding tends to be favored over long-range interactions. The second utilizes an interactive computer graphic modelling algorithm that enables the user to consider thermodynamic criteria as well as structural data obtained by nuclease susceptibility, chemical reactivity and phylogenetic studies. Examples of structures for prokaryotic 16S and 23S ribosomal RNAs, several eukaryotic 5S ribosomal RNAs and rabbit beta-globin messenger RNA are presented as case studies in order to describe the two techniques. Anm argument is made for integrating the two approaches presented in this paper, enabling the user to generate proposed structures using thermodynamic criteria, allowing interactive refinement of these structures through the application of experimentally derived data. PMID:6174937

  8. 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.

  9. Integration of distributed plant process computer systems to nuclear power generation facilities

    SciTech Connect

    Bogard, T.; Finlay, K.

    1996-11-01

    Many operating nuclear power generation facilities are replacing their plant process computer. Such replacement projects are driven by equipment obsolescence issues and associated objectives to improve plant operability, increase plant information access, improve man machine interface characteristics, and reduce operation and maintenance costs. This paper describes a few recently completed and on-going replacement projects with emphasis upon the application integrated distributed plant process computer systems. By presenting a few recent projects, the variations of distributed systems design show how various configurations can address needs for flexibility, open architecture, and integration of technological advancements in instrumentation and control technology. Architectural considerations for optimal integration of the plant process computer and plant process instrumentation & control are evident from variations of design features.

  10. Computational approach to nuclear magnetic resonance in 1-Alkyl-3-methylimidazolium ionic liquids.

    PubMed

    Palomar, Jose; Ferro, Victor R; Gilarranz, Miguel A; Rodriguez, Juan J

    2007-01-11

    A quantum-chemical computational approach to accurately predict the nuclear magnetic resonance (NMR) properties of 1-alkyl-3-methylimidazolium ionic liquids has been performed by the gauge-including atomic orbitals method at the B3LYP/6-31++G** level using different simulated ionic liquid environments. The first molecular model chosen to describe the ionic liquid system includes the gas-phase optimized structures of ion pairs and separated ions of a series of imidazolium salts containing methyl, butyl, and octyl substituents and PF6-, BF4-, and Br- anions. In addition, a continuum polarizable model of solvation has been applied to predict the effects of the medium polarity on the molecular properties of 1,3-dimethylimidazolium hexafluorophosphate (MmimPF6). Furthermore, the specific acidic and basic solute-solvent interactions have been simulated by a discrete solvation model based on molecular clusters formed by MmimPF6 species and a discrete number of water molecules. The computational prediction of the NMR spectra allows a consistent interpretation of the dispersed experimental evidence in the literature. The following are main contributions of this work: (a) Theoretical results state the presence of a chemical equilibrium between ion-pair aggregates and solvent-separated counterions of 1-alkyl-3-methylimidazolium salts which is tuned by the solvent environment; thus, strong specific (acidic and basic) and nonspecific (polarity and polarizability) solvent interactions are predicted favoring the dissociated ionic species. (b) The calculated 1H and 13C NMR properties of these ionic liquids are revealed as highly dependent on the nature of solute-solvent interactions. Thus, the chemical shift of the hydrogen atom in position two of the imidazolium ring is deviated to high values by the specific interactions with water molecules, whereas nonspecific interaction with water (as a solvent) affects, in the opposite direction, this 1H NMR parameter. (c) Last, current

  11. 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

  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. 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

  14. Antibody humanization by structure-based computational protein design

    PubMed Central

    Choi, Yoonjoo; Hua, Casey; Sentman, Charles L; Ackerman, Margaret E; Bailey-Kellogg, Chris

    2015-01-01

    Antibodies derived from non-human sources must be modified for therapeutic use so as to mitigate undesirable immune responses. While complementarity-determining region (CDR) grafting-based humanization techniques have been successfully applied in many cases, it remains challenging to maintain the desired stability and antigen binding affinity upon grafting. We developed an alternative humanization approach called CoDAH (“Computationally-Driven Antibody Humanization”) in which computational protein design methods directly select sets of amino acids to incorporate from human germline sequences to increase humanness while maintaining structural stability. Retrospective studies show that CoDAH is able to identify variants deemed beneficial according to both humanness and structural stability criteria, even for targets lacking crystal structures. Prospective application to TZ47, a murine anti-human B7H6 antibody, demonstrates the approach. Four diverse humanized variants were designed, and all possible unique VH/VL combinations were produced as full-length IgG1 antibodies. Soluble and cell surface expressed antigen binding assays showed that 75% (6 of 8) of the computationally designed VH/VL variants were successfully expressed and competed with the murine TZ47 for binding to B7H6 antigen. Furthermore, 4 of the 6 bound with an estimated KD within an order of magnitude of the original TZ47 antibody. In contrast, a traditional CDR-grafted variant could not be expressed. These results suggest that the computational protein design approach described here can be used to efficiently generate functional humanized antibodies and provide humanized templates for further affinity maturation. PMID:26252731

  15. 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.

  16. 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.

  17. 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.

  18. 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.

  19. 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

  20. 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.

  1. 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.

  2. 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.

  3. 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).

  4. 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.

  5. 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)

  6. 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.

  7. 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.

  8. 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.

  9. 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

  10. 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.

  11. 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.

  12. 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

  13. 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.

  14. Interaction of 3d transition metal atoms with charged ion projectiles from Electron Nuclear Dynamics computation

    NASA Astrophysics Data System (ADS)

    Hagelberg, Frank

    2003-03-01

    Computational results on atomic scattering between charged projectiles and transition metal target atoms are presented. This work aims at obtaining detailed information about charge, spin and energy transfer processes that occur between the interacting particles. An in-depth understanding of these phenomena is expected to provide a theoretical basis for the interpretation of various types of ion beam experiments, ranging from gas phase chromatography to spectroscopic observations of fast ions in ferromagnetic media. This contribution focuses on the scattering of light projectiles ranging from He to O, that are prepared in various initial charge states, by 3d transition metal atoms. The presented computations are performed in the framework of Electron Nuclear Dynamics (END)^1 theory which incorporates the coupling between electronic and nuclear degrees of freedom without reliance on the computationally cumbersome and frequently intractable determination of potential energy surfaces. In the present application of END theory to ion - transition metal atom scattering, a supermolecule approach is utilized in conjunction with a spin-unrestricted single determinantal wave function describing the electronic system. Integral scattering, charge and spin exchange cross sections are discussed as functions of the elementary parameters of the problem, such as projectile and target atomic numbers as well as projectile charge and initial kinetic energy. ^1 E.Deumens, A.Diz, R.Longo, Y.Oehrn, Rev.Mod.Phys. 66, 917 (1994)

  15. 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.

  16. 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.

  17. 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.

  18. 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.

  19. 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

  20. 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.

  1. 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.

  2. 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.

  3. 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.

  4. 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

  5. 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

  6. 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

  7. 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

  8. 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.

  9. 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.

  10. 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.

  11. Computational modeling structure and spectra of biological chromophores

    NASA Astrophysics Data System (ADS)

    Collins, Jack R.; Topol, Igor A.; Nemukhin, Alexander V.; Savitsky, Alexander P.

    2009-02-01

    Modern computational approaches based on quantum mechanical methods to characterize structures and optical spectra of biological chromophores in the gas phase, in solutions and proteins are discussed. Primary attention is paid to the chromophores from the family of the green fluorescent protein (GFP) widely used as a biomarker in living cells. Beyond GFP, photophysical properties of the monomeric teal fluorescent protein (mTFPI) and the kindling fluorescent protein asFP595 are simulated. We apply modern quantum chemical approaches for high level calculations of the structures of the chromophore binding pockets and to estimate spectral bands corresponding to the S0-S1 optical transitions. A special attention is paid to evaluate effects of point mutations in the vicinity of the chromophore group. Theoretical data provide important information on the chromophore properties aiming to interpret the results of experimental studies of fluorescent proteins.

  12. Protein structure determination in solution by two-dimensional and three-dimensional nuclear magnetic resonance spectroscopy.

    PubMed

    Gronenborn, A M; Clore, G M

    1990-01-01

    Over the last decade, nuclear magnetic resonance (NMR) spectroscopy has evolved into a powerful method for determining structures of biological macromolecules. This has opened a unique opportunity for obtaining high-resolution three-dimensional structures in solution, in contrast to the well-established methods of X-ray diffraction, which are applicable only to solids and in particular single crystals. This rapid development has been spurred by several key advances in the field, especially the introduction of two- and three-dimensional NMR experiments, high field spectrometers (500 and 600 MHz), and computational algorithms for converting NMR derived restraints into three-dimensional structures. This review outlines the methodology employed for solving protein structures in solution, describing the basic NMR experiments necessary as well as introducing the concepts upon which the computational algorithms are founded. A variety of examples is discussed, illustrating the present state of the art, and future possibilities are indicated.

  13. 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.

  14. Nuclear matrix and structural and functional compartmentalization of the eucaryotic cell nucleus.

    PubMed

    Razin, S V; Borunova, V V; Iarovaia, O V; Vassetzky, Y S

    2014-07-01

    Becoming popular at the end of the 20th century, the concept of the nuclear matrix implies the existence of a nuclear skeleton that organizes functional elements in the cell nucleus. This review presents a critical analysis of the results obtained in the study of nuclear matrix in the light of current views on the organization of the cell nucleus. Numerous studies of nuclear matrix have failed to provide evidence of the existence of such a structure. Moreover, the existence of a filamentous structure that supports the nuclear compartmentalization appears to be unnecessary, since this function is performed by the folded genome itself.

  15. 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

  16. 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.

  17. 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.

  18. Computational aspects of sensitivity calculations in transient structural analysis

    NASA Technical Reports Server (NTRS)

    Greene, William H.; Haftka, Raphael T.

    1989-01-01

    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 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.

  19. 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.

  20. Volume measurements of normal orbital structures by computed tomographic analysis

    SciTech Connect

    Forbes, G.; Gehring, D.G.; Gorman, C.A.; Brennan, M.D.; Jackson, I.T.

    1985-07-01

    Computed tomographic digital data and special off-line computer graphic analysis were used to measure volumes of normal orbital soft tissue, extraocular muscle, orbital fat, and total bony orbit in vivo in 29 patients (58 orbits). The upper limits of normal for adult bony orbit, soft tissue exclusive of the globe, orbital fat, and muscle are 30.1 cm/sup 3/, 20.0 cm/sup 3/, 14.4 cm/sup 3/, and 6.5 cm/sup 3/, respectively. There are small differences in men as a group compared with women but minimal difference between right and left orbits in the same person. The accuracy of the techniques was established at 7%-8% for these orbit structural volumes in physical phantoms and in simulated silicone orbit phantoms in dry skulls. Mean values and upper limits of normal for volumes were determined in adult orbital structures for future comparison with changes due to endocrine ophthalmopathy, trauma, and congenital deformity.

  1. Structural Sizing of the EDIN0620 Body Components Using the APAS Structural Synthesis Computer Program

    NASA Technical Reports Server (NTRS)

    Nolte, W. E.

    1976-01-01

    The use of a structural synthesis computer program to design components for a heavy lift launch vehicle is defined. A loads program was used to determine the vehicle shears, bending moments, and axial loads at two design loading conditions. A comparison was made between results from the structures program and the results of a weight estimating program which used historical data in determining component weights.

  2. Computer aided test selection (CATS) for nuclear medicine--a prototype system for renal investigations.

    PubMed

    Houston, A S; Tindale, W B

    1996-01-01

    An expert system for renal test selection in nuclear medicine has been developed as the first stage of a collaborative project on test selection in nuclear medicine. The stages of knowledge elicitation and knowledge representation were addressed by means of a questionnaire which was completed by five experts in the field of renal nuclear medicine. A flow chart was developed from the responses and implemented using a commercially available expert system shell (Crystal 4.5). A menu specifying clinical problems, for which renal nuclear medicine is useful, is displayed to the user who is prompted for a choice. Specific aspects of the chosen problem are then shown and again a choice is requested. Selected tests, in order of expert preference, are displayed and further information on any of these is available, if required, on selection from a menu subdivided into categories such as patient preparation, preliminary investigations, etc. The system provides cross-referencing to other areas of investigation and is currently being evaluated using a structured approach commonly employed in the assessment of user interfaces. PMID:8947892

  3. 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.

  4. 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

  5. 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

  6. 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.

  7. (Nuclear structure physics): Foreign trip report, May 9--June 14, 1988

    SciTech Connect

    Baktash, C.

    1988-06-29

    The traveler visited the Niels Bohr Institute in Copenhagen, Denmark, to analyze data from a joint ORNL-NBI experiment that was performed last summer at ORNL. He also participated in the Nuclear Structure Workshop held at NBI, May 16-20, 1988. On June 9-14 he attended the ''International Conference on Contemporary Topics in Nuclear Structure Physics'' held in Cocoyoc, Mexico.

  8. Benchmark data sets for structure-based computational target prediction.

    PubMed

    Schomburg, Karen T; Rarey, Matthias

    2014-08-25

    Structure-based computational target prediction methods identify potential targets for a bioactive compound. Methods based on protein-ligand docking so far face many challenges, where the greatest probably is the ranking of true targets in a large data set of protein structures. Currently, no standard data sets for evaluation exist, rendering comparison and demonstration of improvements of methods cumbersome. Therefore, we propose two data sets and evaluation strategies for a meaningful evaluation of new target prediction methods, i.e., a small data set consisting of three target classes for detailed proof-of-concept and selectivity studies and a large data set consisting of 7992 protein structures and 72 drug-like ligands allowing statistical evaluation with performance metrics on a drug-like chemical space. Both data sets are built from openly available resources, and any information needed to perform the described experiments is reported. We describe the composition of the data sets, the setup of screening experiments, and the evaluation strategy. Performance metrics capable to measure the early recognition of enrichments like AUC, BEDROC, and NSLR are proposed. We apply a sequence-based target prediction method to the large data set to analyze its content of nontrivial evaluation cases. The proposed data sets are used for method evaluation of our new inverse screening method iRAISE. The small data set reveals the method's capability and limitations to selectively distinguish between rather similar protein structures. The large data set simulates real target identification scenarios. iRAISE achieves in 55% excellent or good enrichment a median AUC of 0.67 and RMSDs below 2.0 Å for 74% and was able to predict the first true target in 59 out of 72 cases in the top 2% of the protein data set of about 8000 structures.

  9. Electronic structure and nuclear magnetic resonance chemical shift of solids and surfaces

    NASA Astrophysics Data System (ADS)

    Pfrommer, Bernd Georg

    Several different topics related to the electronic structure of solids and surfaces are discussed in this thesis. With the quasi-Newton algorithm for relaxing crystal structures and a new ab initio method to compute nuclear magnetic resonance (NMR) chemical shifts, numerical methods are developed and implemented to efficiently compute properties related to the electronic structure. These techniques are then applied to a range of different materials. The quasi-Newton method is used to study the recently discovered high-pressure R8 phase of silicon, and the fcc-hcp high-pressure structural phase transition of xenon. Using the pressure-induced magnetic phase transition of a model atomic hydrogen crystal as a test system, the accuracy of density functional theory in both the generalized gradient approximation (GGA) and the local spin density approximation (LSDA) is compared to variational quantum Monte Carlo (VQMC) calculations (1). Finally, for the first time, the NMR chemical shift of extended systems such as amorphous carbon and the hydrogenated diamond (111) surface are calculated from first principles. 1. In the first chapter, a model body-centered cubic (bcc) atomic hydrogen solid is studied using density functional theory in LSDA and GGA. 2. How a quasi-Newton method can be used to simultaneously relax the internal coordinates and lattice parameters of crystals under pressure is the subject of the second chapter. 3. Chapter three presents a detailed ab initio study of the electronic and structural properties of the recently discovered R8 phase of silicon. 4. In chapter four, the fcc-hcp high pressure structural phase transition of xenon is calculated. 5. Chapter five describes a theory for the ab initio computation of the NMR chemical shift in extended systems, using periodic boundary conditions. 6. In chapter six, the NMR chemical shift spectra of diamond, CVD diamond, and diamond-like amorphous carbon are computed from first principles. 7. Unexpected features

  10. 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

  11. 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.

  12. 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.

  13. 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.

  14. 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.

  15. NGC 1068 - Resolution of nuclear structure in the optical continuum

    SciTech Connect

    Lynds, R.; Faber, S.M.; Light, R.M.; Groth, E.J.; Holtzman, J.A. Lick Observatory, Santa Cruz, CA Princeton Univ., NJ Lowell Observatory, Flagstaff, AZ )

    1991-03-01

    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. 9 refs.

  16. 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.

  17. 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.

  18. 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

  19. 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.

  20. 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

  1. Learning theory and knowledge structures in computer-aided instruction.

    PubMed

    Jelovsek, F R; Catanzarite, V A; Price, R D; Stull, R E

    1990-01-01

    The development of computer-aided instructional (CAI) systems suffers from a lack of a cohesive theory of learning--how do students acquire and store knowledge? From studies of computer systems that learn and tutor, we can infer generic activities that appear to be integral parts of the learning process, such as aggregation, clustering, characterization, and storage for later retrieval. Learning is faster and more efficient if the goal of a task is made explicit. Hints should be given with the correct timing in relation to an objective so that students can advance in their own problem-solving strategies with the prerequisites in mind. The general form of a rule should usually be taught first, followed by exceptions and special instances. We review theories of learning associated with CAI that illustrate the classification of different types of knowledge. Rule-based (if-then) knowledge forms are represented in these theories, as are declarative and causal knowledge structures. Extracting the common themes from different classifications of knowledge may help us create better CAI.

  2. 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.

  3. Computing Lagrangian coherent structures from their variational theory

    NASA Astrophysics Data System (ADS)

    Farazmand, Mohammad; Haller, George

    2012-03-01

    Using the recently developed variational theory of hyperbolic Lagrangian coherent structures (LCSs), we introduce a computational approach that renders attracting and repelling LCSs as smooth, parametrized curves in two-dimensional flows. The curves are obtained as trajectories of an autonomous ordinary differential equation for the tensor lines of the Cauchy-Green strain tensor. This approach eliminates false positives and negatives in LCS detection by separating true exponential stretching from shear in a frame-independent fashion. Having an explicitly parametrized form for hyperbolic LCSs also allows for their further in-depth analysis and accurate advection as material lines. We illustrate these results on a kinematic model flow and on a direct numerical simulation of two-dimensional turbulence.

  4. Diffraction computed tomography reveals the inner structure of complex biominerals

    NASA Astrophysics Data System (ADS)

    Leemreize, Hanna; Birkbak, Mie; Frølich, Simon; Kenesei, Peter; Almer, Jonathan D.; Stock, Stuart R.; Birkedal, Henrik

    2014-09-01

    Biological materials are complex and their investigation demands advanced characterization tools capable of elucidating their structure in three dimensions without the need for complicated sample preparation. Herein, we discuss our implementation of diffraction/scattering computed tomography (DSCT). DSCT is based on the use of diffraction information for tomographic reconstructions rather than linear attenuation as in regular μ-CT. This provides much additional information on the material under investigation. We illustrate the use of DSCT by discussion of data on a biomineralized attachment organ from a marine mussel. DSCT allowed mapping the spatial distribution of calcium carbonate polymorphs aragonite and calcite even though they were indistinguishable in absorption tomography. Detailed analysis of reconstructed diffraction patterns may provide additional insights as exemplified in the present case by mapping of the degree of chemical substitution in calcite.

  5. 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.

  6. 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.

  7. 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.

  8. Virus structure using the computer-aided phase microscope Airyscan

    NASA Astrophysics Data System (ADS)

    Tychinsky, Vladimir P.; Kaverin, Nikolai V.; Perevedentseva, Elena V.; Vyshenskaia, Tatiana V.; Kufal, Georgy E.

    1997-04-01

    Investigation of features and functions of some small biological objects (smaller than 500 nm), in particular, viruses, with conventional optical microscopy is practically impossible. Usually their images are obtained with methods of scanning electron microscopy (SEM), which precludes work with samples in a native state. We obtained images of different viruses including influenza A virus in native state with computer-aided phase microscope (CPM) Airyscan, in which an He-Ne laser is used as a light source. The main purpose of this work was to show the possibility to obtain adequate structure images of influenza viruses with diameter about 100 nm in conditions quite close to native and to investigate different stages of influenza virus budding. We suppose that these results may be considered as a basis for further studies of cell-virus interaction.

  9. 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'.

  10. 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

  11. 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

  12. 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)

  13. Study of Nuclear Structure of 13C and 20Ne by Low Energy Nuclear Reactions

    NASA Astrophysics Data System (ADS)

    Lombardo, I.; Campajola, L.; Dell'Aquila, D.; La Commara, M.; Ordine, A.; Rosato, E.; Spadaccini, G.; Vigilante, M.

    2014-12-01

    We report some recent experimental results on the spectroscopy of 13C and 20Ne nuclei by means of low energy nuclear reactions carried out with high resolution electrostatic accelerators. In the case of 13C we investigated the possible existence of a-cluster states above the a emission threshold by means of low energy elastic resonant scattering α+9Be in direct kinematics. Excitation functions show the presence of various resonances that have been reproduced by R-matrix fit. We studied also the structure of 20Ne by means of the 19F(p,α0) reaction at sub-barrier energies. The spectroscopy of 20Ne excited states in the region Ex ≈ 13.5-14.0 MeV can be probed by analyzing experimental angular distributions and excitation functions. This reaction plays an important role also in the CNOF cycle and is an important ingredient to describe hydrogen-induced destruction of fluorine in massive stars. For this reason we investigated the trend of S-factor, that has been compared with results previously reported in the literature.

  14. 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

  15. From photogrammetry, computer vision to structural response measurement

    NASA Astrophysics Data System (ADS)

    Chang, C. C.

    2007-04-01

    Measuring displacement response of large-scale structures is necessary to assess their performance and health condition. Current global position systems (GPS), with a significant cost, can provide point coordinate measurement with an accuracy of +/-1cm horizontally and +/-2cm vertically at a sampling frequency up to 20 Hz. Photogrammetry is a measurement technology in which the three-dimensional coordinates of points on an object are determined by measurements made with two or more photographic images taken from different positions. This technology is regaining its popularity in various engineering disciplines due to a recent remarkable evolution in the consumer digital cameras. The image resolution of these cameras has increased rapidly from below 1 million pixels a few years ago to over 10 million pixels today, with little increase or even decrease in cost. Image sequences recorded by these cameras contain both spatial and temporal information of the target object; hence can be used to extract the object's dynamic characteristics such as natural frequencies and mode shapes. Research indicates that accuracy in the order of as high as 1 part in 30,000 can be achieved when cameras are properly calibrated in the field and multiple high-resolution images are used. At this level of accuracy, point positions of a 30m object would be accurate to 1mm at 68% probability and responses of large-scale structures can be measured for further meaningful processing and interpretation. In this paper, several image-based sensing techniques that can be used for measuring response of large-scale structures are presented. These techniques are developed based on some methods from photogrammetry and computer vision such as the optical flow method and the egomotion estimation. Examples used to illustrate these techniques include response measurement of buildings and cable-stayed bridges. Results show that the image-based sensing techniques have a great potential for accurately measuring

  16. 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.

  17. 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

  18. Investigations of nuclear structure and nuclear reactions induced by complex projectiles. Progress report, September 1, 1991--August 31, 1992

    SciTech Connect

    Sarantites, D.G.

    1992-12-01

    The research program described touches five areas of nuclear physics: nuclear structure studies at high spin (hyperdeformation in the mass A {approx_equal} 182 region, structure of {sup 182}Hg and {sup 182}Au at high spin, a highly deformed band in {sup 136}Pm and the anomalous h{sub 11/2} proton crossing in the A{approximately}135 superdeformed region), studies at the interface between structure and reactions (population of entry states in heavy-ion fusion reactions, nuclear structure effects in proton evaporation spectra, nuclear structure- dependent entry state population by total spectroscopy, entrance channel effects in fusion near the barrier, lifetimes of subbarrier {alpha} particles by the atomic clock method), production and study of hot nuclei (the statistical model evaporation code EVAP, statistical emission of deuterons and tritons from highly excited compound nuclei, heavy-fragment emission as a probe of the thermal properties of highly excited compound nuclei, use of incoming-wave boundary condition transmission coefficients in the statistical model: implications in the particle evaporation spectra, study of transparency in the optical model), reaction mechanism studies (binary character of highly dissipative {sup 209}Bi + {sup 136}Xe collisions at E/A=28.2 MeV), and development and use of novel techniques and instrumentation in these areas of research (including a 4{pi} channel selection device, a novel x-ray detector, and a simple channel-selecting detector).

  19. Investigations of nuclear structure and nuclear reactions induced by complex projectiles. [Dept. of Chemistry, Washington Univ. , St. Louis, Mo

    SciTech Connect

    Sarantites, D.G.

    1992-01-01

    The research program described touches five areas of nuclear physics: nuclear structure studies at high spin (hyperdeformation in the mass A [approx equal] 182 region, structure of [sup 182]Hg and [sup 182]Au at high spin, a highly deformed band in [sup 136]Pm and the anomalous h[sub 11/2] proton crossing in the A[approximately]135 superdeformed region), studies at the interface between structure and reactions (population of entry states in heavy-ion fusion reactions, nuclear structure effects in proton evaporation spectra, nuclear structure- dependent entry state population by total spectroscopy, entrance channel effects in fusion near the barrier, lifetimes of subbarrier [alpha] particles by the atomic clock method), production and study of hot nuclei (the statistical model evaporation code EVAP, statistical emission of deuterons and tritons from highly excited compound nuclei, heavy-fragment emission as a probe of the thermal properties of highly excited compound nuclei, use of incoming-wave boundary condition transmission coefficients in the statistical model: implications in the particle evaporation spectra, study of transparency in the optical model), reaction mechanism studies (binary character of highly dissipative [sup 209]Bi + [sup 136]Xe collisions at E/A=28.2 MeV), and development and use of novel techniques and instrumentation in these areas of research (including a 4[pi] channel selection device, a novel x-ray detector, and a simple channel-selecting detector).

  20. 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.

  1. 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.

  2. 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

  3. 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.

  4. New approach to creation of geometrical module for nuclear reactor neutron transport computer simulation analysis

    SciTech Connect

    Poveschenko, T.; Poveschenko, O.

    2012-07-01

    This paper presents the new approach to creation of geometrical module for nuclear reactor neutron transport computer simulation analysis so called the differential cross method. It is elaborated for detecting boards between physical zones. It is proposed to use GMSH open source mesh editor extended by some features: a special option and a special kind of mesh (cubic background mesh).This method is aimed into Monte Carlo Method as well as for deterministic neutron transport methods. Special attention is attended for reactor core composed of a set of material zones with complicate geometrical boundaries. The idea of this approach is described. In general case method works for 3-D space. Algorithm of creation of the geometrical module is given. 2-D neutron transport benchmark-test for RBMK reactor cluster cell is described. It demonstrates the ability of this approach to provide flexible definition of geometrical meshing with preservation of curved surface or any level of heterogeneity. (authors)

  5. Structure determination of individual electron-nuclear spin complexes in a solid-state matrix

    NASA Astrophysics Data System (ADS)

    Laraoui, Abdelghani; Pagliero, Daniela; Meriles, Carlos

    2015-03-01

    A spin-based quantum computer will store and process information via ``spin complexes'' formed by a small number of interacting electronic and nuclear spins within a solid-state host. Unlike present electronic circuits, differences in the atomic composition and local geometry make each of these spin clusters distinct from the rest. Integration of these units into a working network thus builds on our ability to determine the cluster atomic structure, a problem we tackle herein with the aid of a magnetic resonance protocol. Using the nitrogen-vacancy (NV) center in diamond as a model system, we show analytically and numerically that the spatial coordinates of weakly coupled 13C spins can be determined by selectively transferring and retrieving spin polarization. The technique's spatial resolution can reach up to 0.1 nm, limited by the NV spin coherence lifetime. No external magnetic field gradient is required, which makes this imaging scheme applicable to NV-13C complexes buried deep inside the crystal host. Further, this approach can be adapted to nuclear spins other than 13C, and thus applied to the characterization of individual molecules anchored to the diamond surface.

  6. Automatic classification of hepatocellular carcinoma images based on nuclear and structural features

    NASA Astrophysics Data System (ADS)

    Kiyuna, Tomoharu; Saito, Akira; Marugame, Atsushi; Yamashita, Yoshiko; Ogura, Maki; Cosatto, Eric; Abe, Tokiya; Hashiguchi, Akinori; Sakamoto, Michiie

    2013-03-01

    Diagnosis of hepatocellular carcinoma (HCC) on the basis of digital images is a challenging problem because, unlike gastrointestinal carcinoma, strong structural and morphological features are limited and sometimes absent from HCC images. In this study, we describe the classification of HCC images using statistical distributions of features obtained from image analysis of cell nuclei and hepatic trabeculae. Images of 130 hematoxylin-eosin (HE) stained histologic slides were captured at 20X by a slide scanner (Nanozoomer, Hamamatsu Photonics, Japan) and 1112 regions of interest (ROI) images were extracted for classification (551 negatives and 561 positives, including 113 well-differentiated positives). For a single nucleus, the following features were computed: area, perimeter, circularity, ellipticity, long and short axes of elliptic fit, contour complexity and gray level cooccurrence matrix (GLCM) texture features (angular second moment, contrast, homogeneity and entropy). In addition, distributions of nuclear density and hepatic trabecula thickness within an ROI were also extracted. To represent an ROI, statistical distributions (mean, standard deviation and percentiles) of these features were used. In total, 78 features were extracted for each ROI and a support vector machine (SVM) was trained to classify negative and positive ROIs. Experimental results using 5-fold cross validation show 90% sensitivity for an 87.8% specificity. The use of statistical distributions over a relatively large area makes the HCC classifier robust to occasional failures in the extraction of nuclear or hepatic trabecula features, thus providing stability to the system.

  7. GPU Based General-Purpose Parallel computing to Solve Nuclear Reactor In-Core fuel Management Design and Operation Problem

    SciTech Connect

    Prayudhatama, D.; Waris, A.; Kurniasih, N.; Kurniadi, R.

    2010-06-22

    In-core fuel management study is a crucial activity in nuclear power plant design and operation. Its common problem is to find an optimum arrangement of fuel assemblies inside the reactor core. Main objective for this activity is to reduce the cost of generating electricity, which can be done by altering several physical properties of the nuclear reactor without violating any of the constraints imposed by operational and safety considerations. This research try to address the problem of nuclear fuel arrangement problem, which is, leads to the multi-objective optimization problem. However, the calculation of the reactor core physical properties itself is a heavy computation, which became obstacle in solving the optimization problem by using genetic algorithm optimization.This research tends to address that problem by using the emerging General Purpose Computation on Graphics Processing Units (GPGPU) techniques implemented by C language for CUDA (Compute Unified Device Architecture) parallel programming. By using this parallel programming technique, we develop parallelized nuclear reactor fitness calculation, which is involving numerical finite difference computation. This paper describes current prototype of the parallel algorithm code we have developed on CUDA, that performs one hundreds finite difference calculation for nuclear reactor fitness evaluation in parallel by using GPU G9 Hardware Series developed by NVIDIA.

  8. Computer simulation of the Sequential Probability Ratio Test for nuclear safeguards

    SciTech Connect

    Coop, K.L.

    1985-07-01

    A Fortran IV computer program called SPRTEST is used to simulate the Sequential Probability Ratio Test (SPRT). The program provides considerably more information than one can obtain from the approximate SPRT theory of Wald. For nuclear safeguards applications SPRTEST permits the equipment designer to optimize the input test parameters and, indeed, to determine whether the SPRT is the statistical test of choice. Using Monte Carlo techniques, SPRTEST simulates the use of the SPRT in a radiation monitor. The accumulation of monitoring data from a normal distribution is simulated by repeated sampling of a random number generator. In this way, SPRTEST determines the expected false-positive (..cap alpha..) and false-negative (..beta..) detection probabilities and the average step number (ASN) for a particular SPRT. The report describes SPRTEST, provides a Fortran listing, and demonstrates SPRTEST applications. The report also compares results with those expected from the single-interval test (SIT) on which the SPRT is based; generally, the SPRT provides better detection probabilities for a wide range of source strengths and, at bakcground levels, it takes less time, on average, to make decisions. To obtain optimal results with the SPRT, it must have the capability to detain the counting subject for longer than the SIT time. The SPRTEST program should be useful in choosing the best statistical test for a wide variety of applications, including safeguards, health physics monitoring, and general nuclear detection. 14 refs., 11 figs., 15 tabs.

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

    SciTech Connect

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

    1997-10-01

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

  10. A Network Model and Computational Approach for the Mo-99 Supply Chain for Nuclear Medicine

    NASA Astrophysics Data System (ADS)

    Nagurney, Ladimer; Nagurney, Anna

    2011-11-01

    Technetium-99m, produced from the decay of Molybdenum-99, is the most commonly used radioisotope for medical imaging, specifically in cardiac and cancer diagnostics. The MO-99 is produced in a small number of reactors and is processed and distributed worldwide. We have developed a tractable network model and computational approach for the design and redesign of the MO-99 supply chains. This topic is of special relevance to medical physics given the product's widespread use and the aging of the nuclear reactors where it is produced. This generalized network model, for which we derived formulae for the arc and path multipliers that capture the underlying physics of radioisotope decay, includes total operational cost minimization, and the minimization of cost associated with nuclear waste disposal, coupled with capacity investment (or disinvestment) costs. Its solution yields the optimal link capacities as well as the optimal MO-99 flows so that demand at the medical facilities is satisfied. We illustrate the framework with a Western Hemisphere case study. The framework provides the foundation for further empirical research and the basis for the modeling and analysis of supply chain networks for other very time-sensitive medical products.

  11. SAMPSON Parallel Computation for Sensitivity Analysis of TEPCO's Fukushima Daiichi Nuclear Power Plant Accident

    NASA Astrophysics Data System (ADS)

    Pellegrini, M.; Bautista Gomez, L.; Maruyama, N.; Naitoh, M.; Matsuoka, S.; Cappello, F.

    2014-06-01

    On March 11th 2011 a high magnitude earthquake and consequent tsunami struck the east coast of Japan, resulting in a nuclear accident unprecedented in time and extents. After scram started at all power stations affected by the earthquake, diesel generators began operation as designed until tsunami waves reached the power plants located on the east coast. This had a catastrophic impact on the availability of plant safety systems at TEPCO's Fukushima Daiichi, leading to the condition of station black-out from unit 1 to 3. In this article the accident scenario is studied with the SAMPSON code. SAMPSON is a severe accident computer code composed of hierarchical modules to account for the diverse physics involved in the various phases of the accident evolution. A preliminary parallelization analysis of the code was performed using state-of-the-art tools and we demonstrate how this work can be beneficial to the nuclear safety analysis. This paper shows that inter-module parallelization can reduce the time to solution by more than 20%. Furthermore, the parallel code was applied to a sensitivity study for the alternative water injection into TEPCO's Fukushima Daiichi unit 3. Results show that the core melting progression is extremely sensitive to the amount and timing of water injection, resulting in a high probability of partial core melting for unit 3.

  12. Chaotic features of nuclear structure and dynamics: selected topics

    NASA Astrophysics Data System (ADS)

    Zelevinsky, Vladimir; Volya, Alexander

    2016-03-01

    Quantum chaos has become an important element of our knowledge about physics of complex systems. In typical mesoscopic systems of interacting particles the dynamics invariably become chaotic when the level density, growing by combinatorial reasons, leads to the increasing probability of mixing simple mean-field (particle-hole) configurations. The resulting stationary states have exceedingly complicated structures that are comparable to those in random matrix theory. We discuss the main properties of mesoscopic quantum chaos and show that it can serve as a justification for application of statistical mechanics to mesoscopic systems. We show that quantum chaos becomes a powerful instrument for experimental, theoretical and computational work. The generalization to open systems and effects in the continuum are discussed with the help of the effective non-Hermitian Hamiltonian; it is shown how to formulate this approach for numerous problems of quantum signal transmission. The artificially introduced randomness can also be helpful for a deeper understanding of physics. We indicate the problems that require more investigation so as to be understood further.

  13. Nucleoporins as components of the nuclear pore complex core structure and Tpr as the architectural element of the nuclear basket.

    PubMed

    Krull, Sandra; Thyberg, Johan; Björkroth, Birgitta; Rackwitz, Hans-Richard; Cordes, Volker C

    2004-09-01

    The vertebrate nuclear pore complex (NPC) is a macromolecular assembly of protein subcomplexes forming a structure of eightfold radial symmetry. The NPC core consists of globular subunits sandwiched between two coaxial ring-like structures of which the ring facing the nuclear interior is capped by a fibrous structure called the nuclear basket. By postembedding immunoelectron microscopy, we have mapped the positions of several human NPC proteins relative to the NPC core and its associated basket, including Nup93, Nup96, Nup98, Nup107, Nup153, Nup205, and the coiled coil-dominated 267-kDa protein Tpr. To further assess their contributions to NPC and basket architecture, the genes encoding Nup93, Nup96, Nup107, and Nup205 were posttranscriptionally silenced by RNA interference (RNAi) in HeLa cells, complementing recent RNAi experiments on Nup153 and Tpr. We show that Nup96 and Nup107 are core elements of the NPC proper that are essential for NPC assembly and docking of Nup153 and Tpr to the NPC. Nup93 and Nup205 are other NPC core elements that are important for long-term maintenance of NPCs but initially dispensable for the anchoring of Nup153 and Tpr. Immunogold-labeling for Nup98 also results in preferential labeling of NPC core regions, whereas Nup153 is shown to bind via its amino-terminal domain to the nuclear coaxial ring linking the NPC core structures and Tpr. The position of Tpr in turn is shown to coincide with that of the nuclear basket, with different Tpr protein domains corresponding to distinct basket segments. We propose a model in which Tpr constitutes the central architectural element that forms the scaffold of the nuclear basket.

  14. 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

  15. Nuclear quadrupole resonance studies in semi-metallic structures

    NASA Technical Reports Server (NTRS)

    Murty, A. N.

    1974-01-01

    Both experimental and theoretical studies are presented on spectrum analysis of nuclear quadrupole resonance of antimony and arsenic tellurides. Numerical solutions for secular equations of the quadrupole interaction energy are also discussed.

  16. Structure and Activities of Nuclear Medicine in Kuwait.

    PubMed

    Elgazzar, Abdelhamid H; Owunwanne, Azuwuike; Alenezi, Saud

    2016-07-01

    The practice of nuclear medicine in Kuwait began in 1965 as a clinic for treating thyroid diseases. The practice developed gradually and until 1981 when the Faculty of Medicine established the Division of Nuclear Medicine in the Department of Radiology, which later became a separate department responsible for establishing and managing the practice in all hospitals of Kuwait. In 1987, a nuclear medicine residency program was begun and it is administered by Kuwait Institute for Medical Specializations originally as a 4-year but currently as a 5-year program. Currently there are 11 departments in the ministry of health hospitals staffed by 49 qualified attending physicians, mostly the diplomats of the Kuwait Institute for Medical Specializations nuclear medicine residency program, 4 academic physicians, 2 radiopharmacists, 2 physicists, and 130 technologists. These departments are equipped with 33 dual-head gamma cameras, 10 SPET/CT, 5 PET/CT, 2 cyclotrons, 1 breast-specific gamma imaging, 1 positron-emitting mammography, 10 thyroid uptake units, 8 technegas machines, 7 PET infusion systems, and 8 treadmills. Activities of nuclear medicine in Kuwait include education and training, clinical service, and research. Education includes nuclear medicine technology program in the Faculty of Allied Health Sciences, the 5-year residency program, medical school teaching distributed among different modules of the integrated curriculum with 14 didactic lecture, and other teaching sessions in nuclear medicine MSc program, which run concurrently with the first part of the residency program. The team of Nuclear Medicine in Kuwait has been active in research and has published more than 300 paper, 11 review articles, 12 book chapters, and 17 books in addition to 36 grants and 2 patents. A PhD program approved by Kuwait University Council would begin in 2016. PMID:27237444

  17. Nucleon structure at large x: nuclear effects in deuterium

    SciTech Connect

    Wally Melnitchouk

    2010-07-01

    I review quark momentum distributions in the nucleon at large momentum fractions x. Particular attention is paid to the impact of nuclear effects in deuterium on the d/u quark distribution ratio as x -> 1. A new global study of parton distributions, using less restrictive kinematic cuts in Q^2 and W^2, finds strong suppression of the d quark distribution once nuclear corrections are accounted for.

  18. Nuclear charge radii as signature for structural changes

    NASA Astrophysics Data System (ADS)

    Angeli, I.; Marinova, K.

    2016-06-01

    The correlation of nuclear charge radii with other ground and excited state nuclear observables is considered. An empirical approach is used to deal with a large amount of experimental information, which is properly handled to obtain interesting correlations among different observables as one moves away from the line of stability. Especially the appearance of new magic numbers and/or disappearance of traditional ones as well as the onset of deformation in the region of light nuclei (A < 30) are discussed.

  19. Structure and Activities of Nuclear Medicine in Kuwait.

    PubMed

    Elgazzar, Abdelhamid H; Owunwanne, Azuwuike; Alenezi, Saud

    2016-07-01

    The practice of nuclear medicine in Kuwait began in 1965 as a clinic for treating thyroid diseases. The practice developed gradually and until 1981 when the Faculty of Medicine established the Division of Nuclear Medicine in the Department of Radiology, which later became a separate department responsible for establishing and managing the practice in all hospitals of Kuwait. In 1987, a nuclear medicine residency program was begun and it is administered by Kuwait Institute for Medical Specializations originally as a 4-year but currently as a 5-year program. Currently there are 11 departments in the ministry of health hospitals staffed by 49 qualified attending physicians, mostly the diplomats of the Kuwait Institute for Medical Specializations nuclear medicine residency program, 4 academic physicians, 2 radiopharmacists, 2 physicists, and 130 technologists. These departments are equipped with 33 dual-head gamma cameras, 10 SPET/CT, 5 PET/CT, 2 cyclotrons, 1 breast-specific gamma imaging, 1 positron-emitting mammography, 10 thyroid uptake units, 8 technegas machines, 7 PET infusion systems, and 8 treadmills. Activities of nuclear medicine in Kuwait include education and training, clinical service, and research. Education includes nuclear medicine technology program in the Faculty of Allied Health Sciences, the 5-year residency program, medical school teaching distributed among different modules of the integrated curriculum with 14 didactic lecture, and other teaching sessions in nuclear medicine MSc program, which run concurrently with the first part of the residency program. The team of Nuclear Medicine in Kuwait has been active in research and has published more than 300 paper, 11 review articles, 12 book chapters, and 17 books in addition to 36 grants and 2 patents. A PhD program approved by Kuwait University Council would begin in 2016.

  20. Symmetry-Adapted Ab Initio Shell Model for Nuclear Structure Calculations

    NASA Astrophysics Data System (ADS)

    Draayer, J. P.; Dytrych, T.; Launey, K. D.; Langr, D.

    2012-05-01

    An innovative concept, the symmetry-adapted ab initio shell model, that capitalizes on partial as well as exact symmetries that underpin the structure of nuclei, is discussed. This framework is expected to inform the leading features of nuclear structure and reaction data for light and medium mass nuclei, which are currently inaccessible by theory and experiment and for which predictions of modern phenomenological models often diverge. We use powerful computational and group-theoretical algorithms to perform ab initio CI (configuration-interaction) calculations in a model space spanned by SU(3) symmetry-adapted many-body configurations with the JISP16 nucleon-nucleon interaction. We demonstrate that the results for the ground states of light nuclei up through A = 16 exhibit a strong dominance of low-spin and high-deformation configurations together with an evident symplectic structure. This, in turn, points to the importance of using a symmetry-adapted framework, one based on an LS coupling scheme with the associated spatial configurations organized according to deformation.

  1. Computational study of interactions and nuclear magnetic shielding constants in linear chains of formamide clusters.

    PubMed

    Sánchez, Marina; Prosmiti, Rita; Delgado-Barrio, Gerardo

    2014-07-01

    We investigated the energetic, structural, dielectric, and nuclear magnetic shielding properties of linear n-formamide clusters, with n up to 6, to quantitatively characterize cooperative effects in model biological systems. The geometries of the complexes were optimized at the MP2 and DFT/B3LYP levels by using the pc-2 and pc-3 basis sets, while the nuclear magnetic shielding constants were calculated by employing pcS-n type basis sets, which have been optimized specifically for density functional calculations of these properties. The interaction energies show the cooperative effect, which favors the successive addition of monomers. In addition, by analyzing structural changes in the intermolecular C=O, C-N and hydrogen O⋯H bonds, as well as in the average dipole moments as cluster size increases, we found that the cooperative interaction far exceeds that expected for electrostatic interactions. Such non-pairwise-additive effects are also reflected in the changes of the nuclear magnetic shielding constants. In particular, the negativity of O shielding decreases around 23% from the monomer to the 6-formamide chain. It is possible to note the decrease in the shielding of H and in the deshielding of O as a result of their hydrogen bonding. However, the results obtained show that these variations in the extremes of formamide chains tend to zero, and the respective shielding values tend to stabilize as the number of monomers increases in the chain. Also, the cooperative effect increases in the middle of the chains, by decreasing the shielding for all atoms except that of O, which decreases its deshielding. These results could serve to guide improvements in current conventional models for simulating hydrogen bonded systems.

  2. PREFACE: 11th International Spring Seminar on Nuclear Physics: Shell Model and Nuclear Structure - achievements of the past two decades

    NASA Astrophysics Data System (ADS)

    2015-02-01

    The 11th International Seminar on Nuclear Physics was held in Ischia from May 12 to May 16, 2014. This Seminar was dedicated to Aldo Covello, who has been the promoter of this series of meetings, which started in Sorrento in 1986 and continued with meetings held every two or three years in the Naples area. Aldo's idea was to offer to a group of researchers, actively working in selected fields of Nuclear Physics, the opportunity to confront their points of view in a lively and informal way. The choice for the period of the year, Spring, as well as the sites chosen reflected this intent. The first meeting was of a purely theoretical nature, but it was immediately clear that the scope of these conferences needed to be enlarged calling into play the experimental community. Then, starting from the second meeting, all the following ones have been characterized by fruitful discussion between theoretical and experimental researchers on current achievements and future developments of nuclear structure. This may be read, in fact, as one of the motivating factors for Aldo's election as Fellow of the American Physical Society in 2008 "... for his outstanding contributions to the international nuclear physics community by providing, for over two decades, a venue for theorists and experimentalists to share their latest ideas." The present meeting, organized by Aldo's former students and with the benefit of his suggestions, has maintained this tradition. The title "Shell model and nuclear structure: achievements of the past two decades" recalls that of the 2nd International Spring Seminar "Shell Model and Nuclear Structure: where do we stand?". The main aim of this 11th Seminar was, in fact, to discuss the changes of the past two decades on our view of nuclei in terms of shell structure as well as the perspectives of the shell model, which has been one of the key points in Aldo's research. This point is well accounted by the Opening Speech of Igal Talmi, one of the fathers of the

  3. XOQDOQ: computer program for the meteorological evaluation of routine effluent releases at nuclear power stations. Final report

    SciTech Connect

    Sagendorf, J.F.; Goll, J.T.; Sandusky, W.F.

    1982-09-01

    Provided is a user's guide for the US Nuclear Regulatory Commission's (NRC) computer program X0QDOQ which implements Regulatory Guide 1.111. This NUREG supercedes NUREG-0324 which was published as a draft in September 1977. This program is used by the NRC meteorology staff in their independent meteorological evaluation of routine or anticipated intermittent releases at nuclear power stations. It operates in a batch input mode and has various options a user may select. Relative atmospheric dispersion and deposition factors are computed for 22 specific distances out to 50 miles from the site for each directional sector. From these results, values for 10 distance segments are computed. The user may also select other locations for which atmospheric dispersion deposition factors are computed. Program features, including required input data and output results, are described. A program listing and test case data input and resulting output are provided.

  4. Effects of gastrointestinal tissue structure on computed dipole vectors

    PubMed Central

    Austin, Travis M; Li, Liren; Pullan, Andrew J; Cheng, Leo K

    2007-01-01

    Background Digestive diseases are difficult to assess without using invasive measurements. Non-invasive measurements of body surface electrical and magnetic activity resulting from underlying gastro-intestinal activity are not widely used, in large due to their difficulty in interpretation. Mathematical modelling of the underlying processes may help provide additional information. When modelling myoelectrical activity, it is common for the electrical field to be represented by equivalent dipole sources. The gastrointestinal system is comprised of alternating layers of smooth muscle (SM) cells and Interstitial Cells of Cajal (ICC). In addition the small intestine has regions of high curvature as the intestine bends back upon itself. To eventually use modelling diagnostically, we must improve our understanding of the effect that intestinal structure has on dipole vector behaviour. Methods Normal intestine electrical behaviour was simulated on simple geometries using a monodomain formulation. The myoelectrical fields were then represented by their dipole vectors and an examination on the effect of structure was undertaken. The 3D intestine model was compared to a more computationally efficient 1D representation to determine the differences on the resultant dipole vectors. In addition, the conductivity values and the thickness of the different muscle layers were varied in the 3D model and the effects on the dipole vectors were investigated. Results The dipole vector orientations were largely affected by the curvature and by a transmural gradient in the electrical wavefront caused by the different properties of the SM and ICC layers. This gradient caused the dipoles to be oriented at an angle to the principal direction of electrical propagation. This angle increased when the ratio of the longitudinal and circular muscle was increased or when the the conductivity along and across the layers was increased. The 1D model was able to represent the geometry of the small

  5. Network Computing Infrastructure to Share Tools and Data in Global Nuclear Energy Partnership

    NASA Astrophysics Data System (ADS)

    Kim, Guehee; Suzuki, Yoshio; Teshima, Naoya

    CCSE/JAEA (Center for Computational Science and e-Systems/Japan Atomic Energy Agency) integrated a prototype system of a network computing infrastructure for sharing tools and data to support the U.S. and Japan collaboration in GNEP (Global Nuclear Energy Partnership). We focused on three technical issues to apply our information process infrastructure, which are accessibility, security, and usability. In designing the prototype system, we integrated and improved both network and Web technologies. For the accessibility issue, we adopted SSL-VPN (Security Socket Layer-Virtual Private Network) technology for the access beyond firewalls. For the security issue, we developed an authentication gateway based on the PKI (Public Key Infrastructure) authentication mechanism to strengthen the security. Also, we set fine access control policy to shared tools and data and used shared key based encryption method to protect tools and data against leakage to third parties. For the usability issue, we chose Web browsers as user interface and developed Web application to provide functions to support sharing tools and data. By using WebDAV (Web-based Distributed Authoring and Versioning) function, users can manipulate shared tools and data through the Windows-like folder environment. We implemented the prototype system in Grid infrastructure for atomic energy research: AEGIS (Atomic Energy Grid Infrastructure) developed by CCSE/JAEA. The prototype system was applied for the trial use in the first period of GNEP.

  6. A computational model for an open-cycle gas core nuclear rocket

    SciTech Connect

    Poston, D.I.; Kammash, T.

    1996-01-01

    A computational model of an open-cycle gas core nuclear rocket (GCR) is developed. The solution is divided into two distinct areas--thermal hydraulics and neutronics. To obtain the thermal-hydraulic solution, a computer code is written that solves the Navier-Stokes, energy, and species diffusion equations. The two-dimensional transport code TWODANT is used to obtain the neutronics solution. The thermal-hydraulic and neutronic models are coupled, and the solution proceeds in an iterative manner until a consistent power density profile is obtained. Various open-cycle GCR designs are evaluated. First, it is assumed that the fuel and propellant do not mix. In this ideal case, it is found that the limiting factor in determining thrust and specific impulse is the maximum allowable wall heat flux. Following this simplified study, the results from a complete thermal-hydraulic/neutronic solution are presented, and the use of alternate fuels and propellants is considered. Next, a parametric design study is conducted that examine the rocket performance of the open-cycle GCR as a function of various design and operational parameters. It is found that fuel containment is very adversely affected by high reactor power or rocket acceleration. Finally, some concepts are discussed that could help improve fuel containment.

  7. Combination of artificial intelligence and procedural language programs in a computer application system supporting nuclear reactor operations

    SciTech Connect

    Town, G.G.; Stratton, R.C.

    1985-01-01

    A computer application system is described which provides nuclear reactor power plant operators with an improved decision support system. This system combines traditional computer applications such as graphics display with artificial intelligence methodologies such as reasoning and diagnosis so as to improve plant operability. This paper discusses the issues, and a solution, involved with the system integration of applications developed using traditional and artificial intelligence languages.

  8. Computer-based procedure for field activities: Results from three evaluations at nuclear power plants

    SciTech Connect

    Oxstrand, Johanna; bly, Aaron; LeBlanc, Katya

    2014-09-01

    Nearly all activities that involve human interaction with the systems of a nuclear power plant are guided by procedures. The paper-based procedures (PBPs) currently used by industry have a demonstrated history of ensuring safety; however, improving procedure use could yield tremendous savings in increased efficiency and safety. One potential way to improve procedure-based activities is through the use of computer-based procedures (CBPs). Computer-based procedures provide the opportunity to incorporate context driven job aids, such as drawings, photos, just-in-time training, etc into CBP system. One obvious advantage of this capability is reducing the time spent tracking down the applicable documentation. Additionally, human performance tools can be integrated in the CBP system in such way that helps the worker focus on the task rather than the tools. Some tools can be completely incorporated into the CBP system, such as pre-job briefs, placekeeping, correct component verification, and peer checks. Other tools can be partly integrated in a fashion that reduces the time and labor required, such as concurrent and independent verification. Another benefit of CBPs compared to PBPs is dynamic procedure presentation. PBPs are static documents which limits the degree to which the information presented can be tailored to the task and conditions when the procedure is executed. The CBP system could be configured to display only the relevant steps based on operating mode, plant status, and the task at hand. A dynamic presentation of the procedure (also known as context-sensitive procedures) will guide the user down the path of relevant steps based on the current conditions. This feature will reduce the user’s workload and inherently reduce the risk of incorrectly marking a step as not applicable and the risk of incorrectly performing a step that should be marked as not applicable. As part of the Department of Energy’s (DOE) Light Water Reactors Sustainability Program

  9. Computational tools for analysing structural changes in proteins in solution.

    PubMed

    Noé, Frank; Schwarzl, Sonja M; Fischer, Stefan; Smith, Jeremy C

    2003-01-01

    Many important structural changes in proteins involve long-time dynamics, which are outside the timescale presently accessible by a straightforward integration of Newton's equations of motion. This problem is addressed with minimisation-based algorithms, which are applied on possible reaction pathways using atomic-detail models. For reasons of efficiency, an implicit treatment of solvent is imperative. We present the charge reparameterisation protocol, which is a method that approximates the interaction energies obtained by a numerical solution of the Poisson-Boltzmann equation. Furthermore, we present a number of methods that can be used to compute possible reaction pathways associated with a particular conformational change. Two of them, the self-penalty walk and the nudged elastic band method, define an objective function, which is minimised to find optimal paths. A third method, conjugate peak refinement, is a heuristic method, which finds minimum energy paths without the use of an explicit objective function. Finally, we discuss problems and limitations with these methods and give a perspective on future research.

  10. Study of resonances in light nuclei for nuclear structure and nuclear astrophysics

    NASA Astrophysics Data System (ADS)

    Almaraz Calderon, Sergio Jesus

    Resonances in exotic nuclei play a central role in the nucleosynthesis processes occurring in the stars. Nuclear reactions proceed through resonance states in exotic nuclei. This dissertation reports on measurements of resonances in 18Ne, 30S and 9Be. The radioactive nucleus 18Ne was studied via the 16O(3He, n) reaction. These resonances are relevant in understanding one of the two breakout paths from the Hot Carbon-Oxygen-Nitrogen (HCNO) cycle. Neutrons from this reaction were measured in coincidence with charged particles from the decay of resonances in 18Ne to directly extract the charged particle branching ratios of the populated resonance states. Significant alpha branching ratios coming from the resonances at Eex = 7.95 MeV and Eex = 8.09 MeV were measured for the first time. Evidence of an exotic 2p decay is indicated from the state at Eex = 6.15 MeV. The results from this work allows for a more reliable calculation of the 14O( alpha, p)17F reaction rate, central in the breakout of the HCNO cycle and in the direct competition between alphap-process and the rp-process for the flow of nuclear material in the proton rich side of the valley of stability. The exotic nucleus 30S was studied via the 28 Si(3He, n) transfer reaction. Neutrons from this reaction were measured in coincidence with charged particle decays from the populated resonance states in 30S. Several states above Eex = 8.5 MeV are reported for the first time. For the states measured between the proton decay threshold and the alpha decay threshold, the branching ratios were extracted and used to tentatively assign spins and parities. The results led to the determination of the first experimental 26Si(alpha, p) 29P reaction rate. The calculated reaction rate is compared with statistical methods traditionally used in the calculations of such reaction rate. The results of the present work will be combined with the results of the 32S(p, t) experiment carried out by O'Brien. Resonance states with Isospin

  11. 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

  12. Nuclear shapes: from earliest ideas to multiple shape coexisting structures

    NASA Astrophysics Data System (ADS)

    Heyde, K.; Wood, J. L.

    2016-08-01

    The concept of the atomic nucleus being characterized by an intrinsic property such as shape came as a result of high precision hyperfine studies in the field of atomic physics, which indicated a non-spherical nuclear charge distribution. Herein, we describe the various steps taken through ingenious experimentation and bold theoretical suggestions that mapped the way for later work in the early 50s by Aage Bohr, Ben Mottelson and James Rainwater. We lay out a long and winding road that marked, in the period of 50s to 70s, the way shell-model and collective-model concepts were reconciled. A rapid increase in both accelerator and detection methods (70s towards the early 2000s) opened new vistas into nuclear shapes, and their coexistence, in various regions of the nuclear mass table. Next, we outline a possible unified view of nuclear shapes: emphasizing decisive steps taken as well as questions remaining, next to the theoretical efforts that could result in an emerging understanding of nuclear shapes, building on the nucleus considered as a strongly interacting system of nucleons as the microscopic starting point.

  13. Nuclear structure from direct reactions with rare isotopes: observables, methods and highlights

    NASA Astrophysics Data System (ADS)

    Obertelli, Alexandre

    2016-09-01

    An overview of direct reactions employed for nuclear structure studies is presented. The basic and most used analysis methods of elastic and inelastic scattering, transfer reactions and intermediate-energy removal reactions are reviewed. The most relevant observables from direct reactions regarding the nuclear many-body problem, as well as related experimental techniques, are illustrated through recent achievements with unstable nuclei.

  14. Input/Output of ab-initio nuclear structure calculations for improved performance and portability

    SciTech Connect

    Laghave, Nikhil

    2010-01-01

    Many modern scientific applications rely on highly computation intensive calculations. However, most applications do not concentrate as much on the role that input/output operations can play for improved performance and portability. Parallelizing input/output operations of large files can significantly improve the performance of parallel applications where sequential I/O is a bottleneck. A proper choice of I/O library also offers a scope for making input/output operations portable across different architectures. Thus, use of parallel I/O libraries for organizing I/O of large data files offers great scope in improving performance and portability of applications. In particular, sequential I/O has been identified as a bottleneck for the highly scalable MFDn (Many Fermion Dynamics for nuclear structure) code performing ab-initio nuclear structure calculations. We develop interfaces and parallel I/O procedures to use a well-known parallel I/O library in MFDn. As a result, we gain efficient I/O of large datasets along with their portability and ease of use in the down-stream processing. Even situations where the amount of data to be written is not huge, proper use of input/output operations can boost the performance of scientific applications. Application checkpointing offers enormous performance improvement and flexibility by doing a negligible amount of I/O to disk. Checkpointing saves and resumes application state in such a manner that in most cases the application is unaware that there has been an interruption to its execution. This helps in saving large amount of work that has been previously done and continue application execution. This small amount of I/O provides substantial time saving by offering restart/resume capability to applications. The need for checkpointing in optimization code NEWUOA has been identified and checkpoint/restart capability has been implemented in NEWUOA by using simple file I/O.

  15. Using Molecular Initiating Events to Develop a Structural Alert Based Screening Workflow for Nuclear Receptor Ligands Associated with Hepatic Steatosis.

    PubMed

    Mellor, Claire L; Steinmetz, Fabian P; Cronin, Mark T D

    2016-02-15

    In silico models are essential for the development of integrated alternative methods to identify organ level toxicity and lead toward the replacement of animal testing. These models include (quantitative) structure-activity relationships ((Q)SARs) and, importantly, the identification of structural alerts associated with defined toxicological end points. Structural alerts are able both to predict toxicity directly and assist in the formation of categories to facilitate read-across. They are particularly important to decipher the myriad mechanisms of action that result in organ level toxicity. The aim of this study was to develop novel structural alerts for nuclear receptor (NR) ligands that are associated with inducing hepatic steatosis and to show the vast number of existing data that are available. Current knowledge on NR agonists was extended with data from the ChEMBL database (12,713 chemicals in total) of bioactive molecules and from studying NR ligand-binding interactions within the protein database (PDB, 624 human NR structure files). A computational structural alert based workflow was developed using KNIME from these data using molecular fragments and other relevant chemical features. In total, 214 structural features were recorded computationally as SMARTS strings, and therefore, they can be used for grouping and screening during drug development and hazard assessment and provide knowledge to anchor adverse outcome pathways (AOPs) via their molecular initiating events (MIEs). PMID:26787004

  16. Using Molecular Initiating Events to Develop a Structural Alert Based Screening Workflow for Nuclear Receptor Ligands Associated with Hepatic Steatosis.

    PubMed

    Mellor, Claire L; Steinmetz, Fabian P; Cronin, Mark T D

    2016-02-15

    In silico models are essential for the development of integrated alternative methods to identify organ level toxicity and lead toward the replacement of animal testing. These models include (quantitative) structure-activity relationships ((Q)SARs) and, importantly, the identification of structural alerts associated with defined toxicological end points. Structural alerts are able both to predict toxicity directly and assist in the formation of categories to facilitate read-across. They are particularly important to decipher the myriad mechanisms of action that result in organ level toxicity. The aim of this study was to develop novel structural alerts for nuclear receptor (NR) ligands that are associated with inducing hepatic steatosis and to show the vast number of existing data that are available. Current knowledge on NR agonists was extended with data from the ChEMBL database (12,713 chemicals in total) of bioactive molecules and from studying NR ligand-binding interactions within the protein database (PDB, 624 human NR structure files). A computational structural alert based workflow was developed using KNIME from these data using molecular fragments and other relevant chemical features. In total, 214 structural features were recorded computationally as SMARTS strings, and therefore, they can be used for grouping and screening during drug development and hazard assessment and provide knowledge to anchor adverse outcome pathways (AOPs) via their molecular initiating events (MIEs).

  17. Studies on Nuclear Astrophysics and Exotic Structure at the Low-Energy RI Beam Facility CRIB

    NASA Astrophysics Data System (ADS)

    Yamaguchi, H.; Kahl, D.; Hayakawa, S.; Sakaguchi, Y.; Nakao, T.; Wakabayashi, Y.; Hashimoto, T.; Teranishi, T.; Kubono, S.; Cherubini, S.; Mazzocco, M.; Signorini, C.; Gulino, M.; Di Pietro, A.; Figuera, P.; La Cognata, M.; Lattuada, M.; Spitaleri, C.; Torresi, D.; Lee, P. S.; Lee, C. S.; Komatsubara, T.; Iwasa, N.; Okoda, Y.; Pierroutsakou, D.; Parascandolo, C.; La Commara, M.; Strano, E.; Boiano, C.; Boiano, A.; Manea, C.; Sánchez-Benítez, A. M.; Miyatake, H.; Watanabe, Y. X.; Ishiyama, H.; Jeong, S. C.; Imai, N.; Hirayama, Y.; Kimura, S.; Mukai, M.; Kim, Y. H.; Lin, C. J.; Jia, H. M.; Yan, L.; Yang, Y. Y.; Kawabata, T.; Kwon, Y. K.; Binh, D. N.; Khiem, L. H.; Duy, N. N.

    Studies on nuclear astrophysics, resonant structure, and nuclear reaction are going on at CRIB (CNS Radioactive Ion Beam separator), a low-energy RI beam separator operated by Center for Nuclear Study (CNS), the University of Tokyo. Two major methods used at CRIB to study nuclear reactions of astrophysical relevance are the resonant scattering, and direct measurements of (α,p) reactions using a thick-gas target. Several experiments for decay measurements and reaction mechanism are also performed using low-energy RI beams at CRIB. Some of the results from recent experiments at CRIB are discussed.

  18. A more efficient anisotropic mesh adaptation for the computation of Lagrangian coherent structures

    NASA Astrophysics Data System (ADS)

    Fortin, A.; Briffard, T.; Garon, A.

    2015-03-01

    The computation of Lagrangian coherent structures is more and more used in fluid mechanics to determine subtle fluid flow structures. We present in this paper a new adaptive method for the efficient computation of Finite Time Lyapunov Exponent (FTLE) from which the coherent Lagrangian structures can be obtained. This new adaptive method considerably reduces the computational burden without any loss of accuracy on the FTLE field.

  19. Nuclear hormone receptor architecture - form and dynamics: The 2009 FASEB Summer Conference on Dynamic Structure of the Nuclear Hormone Receptors.

    PubMed

    McEwan, Iain J; Nardulli, Ann M

    2009-01-01

    Nuclear hormone receptors (NHRs) represent a large and diverse family of ligand-activated transcription factors involved in regulating development, metabolic homeostasis, salt balance and reproductive health. The ligands for these receptors are typically small hydrophobic molecules such as steroid hormones, thyroid hormone, vitamin D3 and fatty acid derivatives. The first NHR structural information appeared approximately 20 years ago with the solution and crystal structures of the DNA binding domains and was followed by the structure of the agonist and antagonist bound ligand binding domains of different NHR members. Interestingly, in addition to these defined structural features, it has become clear that NHRs also possess significant structural plasticity. Thus, the dynamic structure of the NHRs was the topic of a recent stimulating and informative FASEB Summer Research Conference held in Vermont. PMID:20087432

  20. Nuclear structure studies in JUSTIPEN and EFES activities

    NASA Astrophysics Data System (ADS)

    Itagaki, Naoyuki

    2009-10-01

    JUSTIPEN: Japan-US Theory Institute for Physics with Exotic Nuclei was launched in June 2006. JUSTIPEN has been established in order to facilitate collaborations between U.S. and Japanese scientists whose main research thrust is in the area of the physics of exotic nuclei. More than 40 nuclear scientists in U.S. have visited Japan in three years, and the many collaborations are established. I briefly summarize the JUSTIPEN activity from the Japanese side. There is counterpart program for the Japanese scientists. International Research Network for Exotic Femto Systems (EFES) was selected as one of the Core-to-Core Programs of Japan Society for the Promotion of Science (JSPS). This is the program to send Japanese nuclear scientists to U.S., Germany, France, Italy, Norway, and Finland and to promote the international collaborations in the field of nuclear study. Many joint workshops were held with partner countries. To operate these international programs, University of Tokyo and RIKEN agreed to corporate with each other and established Todai-RIKEN Joint International Program for Nuclear Physics (TORIJIN) in June 2006. I summarize the activities in three years, and I also mention about the relation between these activities and my personal research -- many-body correlations in light nuclei.

  1. Shifted-Contour Monte Carlo Method for Nuclear Structure

    SciTech Connect

    Stoitcheva, G.S.; Dean, D.J.

    2004-09-13

    We propose a new approach for alleviating the 'sign' problem in the nuclear shell model Monte Carlo method. The approach relies on modifying the integration contour of the Hubbard-Stratonovich transformation to pass through an imaginary stationary point in the auxiliary-field associated with the Hartree-Fock density.

  2. Nuclear Magnetic Resonance Coupling Constants and Electronic Structure in Molecules.

    ERIC Educational Resources Information Center

    Venanzi, Thomas J.

    1982-01-01

    Theory of nuclear magnetic resonance spin-spin coupling constants and nature of the three types of coupling mechanisms contributing to the overall spin-spin coupling constant are reviewed, including carbon-carbon coupling (neither containing a lone pair of electrons) and carbon-nitrogen coupling (one containing a lone pair of electrons).…

  3. A Study of the Nuclear Structure at High Energy and Low Spin

    NASA Astrophysics Data System (ADS)

    Rekstad, J.; Henriquez, A.; Ingebretsen, F.; Midttun, G.; Skaali, B.; Øyan, R.; Wikne, J.; Engeland, T.; Thorsteinsen, T. F.; Hammaren, E.; Liukkonen, E.

    1983-01-01

    A novel method to study nuclear structure at low spin as a function of temperature is developed and used on 146,148Sm, 154,156Gd and 160,162Dy, by means of the (3He, α) reaction. The nuclear level density for a wide energy range is also studied. The γ-multiplicities and the first generation γ-ray spectra indicate a structure change in deformed nuclei at about 6 MeV.

  4. Electronic Structure Theory and Multi-Structural Statistical Thermodynamics for Computational Chemical Kinetics

    NASA Astrophysics Data System (ADS)

    Papajak, Ewa

    This thesis involves the development and application of methods for accurate computational thermochemistry. It consists of two parts. The first part focuses on the accuracy of the electronic structure methods. In particular, various augmentation schemes for one-electron basis sets are presented and tested for density functional theory (DFT) calculations and for wave function theory (WFT) calculations. The relationship between diffuse basis functions and basis set superposition error is discussed. For WFT, we also compare the efficiency of conventional one-electron basis-sets to that of newly developed explicitly correlated methods. Various ways of approaching the complete basis set limit of WFT calculations are explained, and recommendations are made for the best ways of achieving balance between the basis set size, higher-order correlation, and relativistic corrections. Applications of this work include computation of barrier heights, reaction and bond energies, electron affinities, ionization potentials, and noncovalent interactions. The second part of this thesis focuses on the problem of incorporating multi-structural effects and anharmonicity effects in the torsional modes into partition function calculations, especially by using a new multi-structural torsion (MS-T) method. Applications of the MS-T method include partition functions of molecules and radicals important for combustion research. These partition functions are used to obtain thermodynamic functions that are the most reliable results available to date for these molecules. The multi-structural approach is also applied to two kinetics problems: The hydrogen abstraction from carbon-3 of 1-butanol by hydroperoxyl radical; The 1,5-hydrogen shift isomerization of the 1-butoxyl radical. In both cases multi-structural effects play an important role in the final results.

  5. 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

  6. Triptolide Induced Transcriptional Arrest is Associated with Changes in Nuclear Sub-Structure

    PubMed Central

    Leuenroth, Stephanie J.; Crews, Craig M.

    2008-01-01

    Triptolide, an active component of the medicinal herb, lei gong teng, is a potent anti-cancer and anti-inflammatory therapeutic. It potently inhibits NFκB transcriptional activation subsequent to DNA binding, although a precise mechanism is as yet unknown. Here, we report that triptolide also induces distinct nuclear sub-structural changes in HeLa cells. These changes in the nucleolus and nuclear speckles are reversible and dependent on both time and concentration. Furthermore, nuclear changes occurred within hours of triptolide treatment and were calcium and caspase independent. Rounding of nuclear speckles, an indication of transcriptional arrest was evident and was associated with a decrease in RNA Polymerase II CTD Ser2 phosphorylation. Additionally, the nucleolus disassembled and RNA Pol I activity declined subsequent to RNA Pol II inhibition. We therefore conclude that triptolide causes global transcriptional arrest as evidenced by inactivity of RNA polymerases I and II and the subsequent alteration in nuclear sub-structure. PMID:18593926

  7. Mechanistic Insights from Structural Analyses of Ran-GTPase-Driven Nuclear Export of Proteins and RNAs.

    PubMed

    Matsuura, Yoshiyuki

    2016-05-22

    Understanding how macromolecules are rapidly exchanged between the nucleus and the cytoplasm through nuclear pore complexes is a fundamental problem in biology. Exportins are Ran-GTPase-dependent nuclear transport factors that belong to the karyopherin-β family and mediate nuclear export of a plethora of proteins and RNAs, except for bulk mRNA nuclear export. Exportins bind cargo macromolecules in a Ran-GTP-dependent manner in the nucleus, forming exportin-cargo-Ran-GTP complexes (nuclear export complexes). Transient weak interactions between exportins and nucleoporins containing characteristic FG (phenylalanine-glycine) repeat motifs facilitate nuclear pore complex passage of nuclear export complexes. In the cytoplasm, nuclear export complexes are disassembled, thereby releasing the cargo. GTP hydrolysis by Ran promoted in the cytoplasm makes the disassembly reaction virtually irreversible and provides thermodynamic driving force for the overall export reaction. In the past decade, X-ray crystallography of some of the exportins in various functional states coupled with functional analyses, single-particle electron microscopy, molecular dynamics simulations, and small-angle solution X-ray scattering has provided rich insights into the mechanism of cargo binding and release and also begins to elucidate how exportins interact with the FG repeat motifs. The knowledge gained from structural analyses of nuclear export is being translated into development of clinically useful inhibitors of nuclear export to treat human diseases such as cancer and influenza.

  8. Development of the NPL gamma-ray spectrometer NANA for traceable nuclear decay and structure studies.

    PubMed

    Lorusso, G; Shearman, R; Regan, P H; Judge, S M; Bell, S; Collins, S M; Larijani, C; Ivanov, P; Jerome, S M; Keightley, J D; Lalkovski, S; Pearce, A K; Podolyak, Zs

    2016-03-01

    We present a brief report on the progress towards the construction of the National Nuclear Array (NANA), a gamma-ray coincidence spectrometer for discrete-line nuclear structure and decay measurements. The proposed spectrometer will combine a gamma-ray energy resolution of approximately 3% at 1MeV with sub-nanosecond timing discrimination between successive gamma rays in mutually coincident decay cascades. We also review a number of recent measurements using coincidence fast-timing gamma-ray spectroscopy for nuclear structure studies, which have helped to inform the design criteria for the NANA spectrometer.

  9. Co-ordination of the International Network of Nuclear Structure and Decay Data Evaluators

    SciTech Connect

    Ricard-McCutchan, E.; Dimitriou, P.; Nichols, A. L.

    2015-08-01

    The 21st meeting of the International Network of Nuclear Structure and Decay Data Evaluators was convened at the IAEA Headquarters, Vienna, from 20 to 24 April 2015 under the auspices of the IAEA Nuclear Data Section. This meeting was attended by 36 scientists from 15 Member States, plus IAEA staff, concerned with the compilation, evaluation and dissemination of nuclear structure and decay data. A summary of the meeting, data centre reports, various proposals considered, and actions agreed by the participants, as well as recommendations/conclusions are presented within this document.

  10. Applications of a global nuclear-structure model to studies of the heaviest elements

    SciTech Connect

    Moeller, P.; Nix, J.R.

    1993-10-01

    We present some new results on heavy-element nuclear-structure properties calculated on the basis of the finite-range droplet model and folded-Yukawa single-particle potential. Specifically, we discuss calculations of nuclear ground-state masses and microscopic corrections, {alpha}-decay properties, {beta}-decay properties, fission potential-energy surfaces, and spontaneous-fission half-lives. These results, obtained in a global nuclear-structure approach, are particularly reliable for describing the stability properties of the heaviest elements.

  11. Total Absorption Study of Beta Decays Relevant for Nuclear Applications and Nuclear Structure

    SciTech Connect

    Algora, A.; Valencia, E.; Taín, J.L.; Jordan, M.D.; Agramunt, J.; Rubio, B.; Estevez, E.; Molina, F.; Montaner, A.; Guadilla, V.; Fallot, M.; Porta, A.; Zakari-Issoufou, A.-A.; Bui, V.M.; and others

    2014-06-15

    An overview is given of our activities related to the study of the beta decay of neutron rich nuclei relevant for nuclear applications. Recent results of the study of the beta decay of {sup 87,88}Br using a new segmented total absorption spectrometer are presented. The measurements were performed at the IGISOL facility using trap-assisted total absorption spectroscopy.

  12. Total Absorption Study of Beta Decays Relevant for Nuclear Applications and Nuclear Structure

    SciTech Connect

    Algora, A.; Valencia, E.; Tain, J. L.; Jordan, M. D.; Agramunt, J.; Rubio, B.; Estevez, E.; Molina, F.; Montaner, A.; Guadilla, V.; Fallot, M.; Podolyak, Zs.; Regan, P. H.; Gelletly, W.; Bowry, M.; Mason, P.; Farrelly, G. F.; Rissanen, J.; Eronen, T.; Moore, I.; Penttila, H.; Aysto, J.; Eloma, V.; Hakala, J.; Jokinen, A.; Kolkinen, V.; Reponen, M.; Sonnenschein, V.; Cano-Ott, D.; Martinez, T.; Mendoza, E.; Garcia, A. R.; Gomez-Hornillos, M. B.; Gorlychev, V.; Caballero-Folch, R.; Kondev, F. G.; Sonzogni, A. A.

    2014-06-01

    We present an overview of our activities related to the study of the beta decay of neutron rich nuclei relevant for nuclear applications. Recent results of the study of the beta decay of Br using a new segmented total absorption spectrometer are presented. Our measurements were performed at the IGISOL facility using trap-assisted total absorption spectroscopy.

  13. Total Absorption Study of Beta Decays Relevant for Nuclear Applications and Nuclear Structure

    NASA Astrophysics Data System (ADS)

    Algora, A.; Valencia, E.; Taín, J. L.; Jordan, M. D.; Agramunt, J.; Rubio, B.; Estevez, E.; Molina, F.; Montaner, A.; Guadilla, V.; Fallot, M.; Porta, A.; Zakari-Issoufou, A.-A.; Bui, V. M.; Rice, S.; Podolyák, Zs.; Regan, P. H.; Gelletly, W.; Bowry, M.; Mason, P.; Farrelly, G. F.; Rissanen, J.; Eronen, T.; Moore, I.; Penttilä, H.; Äystö, J.; Eloma, V.; Hakala, J.; Jokinen, A.; Kolkinen, V.; Reponen, M.; Sonnenschein, V.; Cano-Ott, D.; Martínez, T.; Mendoza, E.; Garcia, A. R.; Gomez-Hornillos, M. B.; Gorlychev, V.; Caballero-Folch, R.; Kondev, F. G.; Sonzogni, A. A.

    2014-06-01

    An overview is given of our activities related to the study of the beta decay of neutron rich nuclei relevant for nuclear applications. Recent results of the study of the beta decay of 87,88Br using a new segmented total absorption spectrometer are presented. The measurements were performed at the IGISOL facility using trap-assisted total absorption spectroscopy.

  14. 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

  15. 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.

  16. The fluorinated (10, 0) boron nitride nanotube: a computational nuclear magnetic resonance and nuclear quadrupole resonance study.

    PubMed

    Seif, Ahmad; Boshra, Asadollah; Bodaghi, Ali

    2010-01-01

    Quantum chemical calculations at the level of density functional theory (DFT) were carried out to investigate the influence of fluorination boron and nitrogen nuclear magnetic resonance (NMR) and also nuclear quadrupole resonance (NQR) parameters in the (10, 0) single-wall boron nitride nanotube (SWBNNT). To achieve this aim three models of (10, 0) boron nitride nanotubes (BNNTs), raw and two F-attached (exohedral and endohedral) derivatives were studied. The results of calculations showed that while the boron atom chemically bonded to F atom has the largest chemical shielding isotropy (CSI); it has the smallest quadrupole coupling constant (CQ) value among the other boron nuclei.

  17. 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

  18. Crustal structure in Nevada and southern Idaho from nuclear explosions

    USGS Publications Warehouse

    Pakiser, L.C.; Hill, D.P.

    1962-01-01

    The time of first arrival of seismic waves generated by 4 underground nuclear explosions at the Nevada Test Site (NTS) and recorded along a line extending north into southern Idaho is expressed as T0 = 0. 00 + Δ/3.0 (assumed), T1 = 0 .40 + Δ/6.03, and T2 = 6.15 + Δ/7.84, where time is in seconds and the shot-detector distance (Δ) is in km. Assuming constant velocities and horizontal layers, crustal thickness in the vicinity of NTS was determined to be 28 km. Delays in the traveltime segment T2, which represents Pn, indicate that the crust may thicken to 32 km in northern Nevada. A third phase, expressed as T3 = 14.48 + Δ/7.84, was also recognized and has arrival times appropriate for SPS. Amplitudes of Pn were determined at 7 places from recordings of seismic waves from one underground nuclear explosion (ANTLER).

  19. Correlations in nuclear observables: Towards a synthesis of structural evolution

    SciTech Connect

    Casten, R.F.; Zamfir, N.V. ||; Brenner, D.S.

    1993-08-01

    Global plots of simple nuclear observables reveal new correlations that are compact and universal. These correlations highlight the behavior of ``deviant`` nuclei, disclosing the presence of degrees of freedom not otherwise visible. Correlations of yrast energies show that nearly all nuclei fall into a tripartite classification of seniority, anharmonic vibrator and rotor regimes. These regimes are connected by rapidly evolving zones showing critical phase transitional behavior.

  20. Adapting computational optimization concepts from aeronautics to nuclear fusion reactor design

    NASA Astrophysics Data System (ADS)

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

    2012-10-01

    Even on the most powerful supercomputers available today, computational nuclear fusion reactor divertor design is extremely CPU demanding, not least due to the large number of design variables and the hybrid micro-macro character of the flows. Therefore, automated design methods based on optimization can greatly assist current reactor design studies. Over the past decades, "adjoint methods" for shape optimization have proven their virtue in the field of aerodynamics. Applications include drag reduction for wing and wing-body configurations. Here we demonstrate that also for divertor design, these optimization methods have a large potential. Specifically, we apply the continuous adjoint method to the optimization of the divertor geometry in a 2D poloidal cross section of an axisymmetric tokamak device (as, e.g., JET and ITER), using a simplified model for the plasma edge. The design objective is to spread the target material heat load as much as possible by controlling the shape of the divertor, while maintaining the full helium ash removal capabilities of the vacuum pumping system.