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Sample records for computed nmr shielding

  1. nmr spectroscopic study and dft calculations of giao nmr shieldings

    African Journals Online (AJOL)

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    3Department of Physics, Arts and Science Faculty, Dumlupinar University, Kütahya, ... 1H, 13C NMR chemical shifts and 1JCH coupling constants of .... then estimated using the corresponding TMS shieldings calculated in advance at the same.

  2. Shielding Benchmark Computational Analysis

    International Nuclear Information System (INIS)

    Hunter, H.T.; Slater, C.O.; Holland, L.B.; Tracz, G.; Marshall, W.J.; Parsons, J.L.

    2000-01-01

    Over the past several decades, nuclear science has relied on experimental research to verify and validate information about shielding nuclear radiation for a variety of applications. These benchmarks are compared with results from computer code models and are useful for the development of more accurate cross-section libraries, computer code development of radiation transport modeling, and building accurate tests for miniature shielding mockups of new nuclear facilities. When documenting measurements, one must describe many parts of the experimental results to allow a complete computational analysis. Both old and new benchmark experiments, by any definition, must provide a sound basis for modeling more complex geometries required for quality assurance and cost savings in nuclear project development. Benchmarks may involve one or many materials and thicknesses, types of sources, and measurement techniques. In this paper the benchmark experiments of varying complexity are chosen to study the transport properties of some popular materials and thicknesses. These were analyzed using three-dimensional (3-D) models and continuous energy libraries of MCNP4B2, a Monte Carlo code developed at Los Alamos National Laboratory, New Mexico. A shielding benchmark library provided the experimental data and allowed a wide range of choices for source, geometry, and measurement data. The experimental data had often been used in previous analyses by reputable groups such as the Cross Section Evaluation Working Group (CSEWG) and the Organization for Economic Cooperation and Development/Nuclear Energy Agency Nuclear Science Committee (OECD/NEANSC)

  3. Spin-rotation and NMR shielding constants in HCl

    Energy Technology Data Exchange (ETDEWEB)

    Jaszuński, Michał, E-mail: michal.jaszunski@icho.edu.pl [Institute of Organic Chemistry, Polish Academy of Sciences, 01-224 Warszawa, Kasprzaka 44 (Poland); Repisky, Michal; Demissie, Taye B.; Komorovsky, Stanislav; Malkin, Elena; Ruud, Kenneth [Centre for Theoretical and Computational Chemistry, University of Tromsø—The Arctic University of Norway, N-9037 Tromsø (Norway); Garbacz, Piotr; Jackowski, Karol; Makulski, Włodzimierz [Laboratory of NMR Spectroscopy, Department of Chemistry, University of Warsaw, Pasteura 1, 02-093 Warsaw (Poland)

    2013-12-21

    The spin-rotation and nuclear magnetic shielding constants are analysed for both nuclei in the HCl molecule. Nonrelativistic ab initio calculations at the CCSD(T) level of approximation show that it is essential to include relativistic effects to obtain spin-rotation constants consistent with accurate experimental data. Our best estimates for the spin-rotation constants of {sup 1}H{sup 35}Cl are C{sub Cl}  = −53.914 kHz and C{sub H}  = 42.672 kHz (for the lowest rovibrational level). For the chlorine shielding constant, the ab initio value computed including the relativistic corrections, σ(Cl) = 976.202 ppm, provides a new absolute shielding scale; for hydrogen we find σ(H) = 31.403 ppm (both at 300 K). Combining the theoretical results with our new gas-phase NMR experimental data allows us to improve the accuracy of the magnetic dipole moments of both chlorine isotopes. For the hydrogen shielding constant, including relativistic effects yields better agreement between experimental and computed values.

  4. Spin-rotation and NMR shielding constants in HCl

    International Nuclear Information System (INIS)

    Jaszuński, Michał; Repisky, Michal; Demissie, Taye B.; Komorovsky, Stanislav; Malkin, Elena; Ruud, Kenneth; Garbacz, Piotr; Jackowski, Karol; Makulski, Włodzimierz

    2013-01-01

    The spin-rotation and nuclear magnetic shielding constants are analysed for both nuclei in the HCl molecule. Nonrelativistic ab initio calculations at the CCSD(T) level of approximation show that it is essential to include relativistic effects to obtain spin-rotation constants consistent with accurate experimental data. Our best estimates for the spin-rotation constants of 1 H 35 Cl are C Cl   = −53.914 kHz and C H   = 42.672 kHz (for the lowest rovibrational level). For the chlorine shielding constant, the ab initio value computed including the relativistic corrections, σ(Cl) = 976.202 ppm, provides a new absolute shielding scale; for hydrogen we find σ(H) = 31.403 ppm (both at 300 K). Combining the theoretical results with our new gas-phase NMR experimental data allows us to improve the accuracy of the magnetic dipole moments of both chlorine isotopes. For the hydrogen shielding constant, including relativistic effects yields better agreement between experimental and computed values

  5. Identifying stereoisomers by ab-initio calculation of secondary isotope shifts on NMR chemical shieldings.

    Science.gov (United States)

    Böhm, Karl-Heinz; Banert, Klaus; Auer, Alexander A

    2014-04-23

    We present ab-initio calculations of secondary isotope effects on NMR chemical shieldings. The change of the NMR chemical shift of a certain nucleus that is observed if another nucleus is replaced by a different isotope can be calculated by computing vibrational corrections on the NMR parameters using electronic structure methods. We demonstrate that the accuracy of the computational results is sufficient to even distinguish different conformers. For this purpose, benchmark calculations for fluoro(2-2H)ethane in gauche and antiperiplanar conformation are carried out at the HF, MP2 and CCSD(T) level of theory using basis sets ranging from double- to quadruple-zeta quality. The methodology is applied to the secondary isotope shifts for 2-fluoronorbornane in order to resolve an ambiguity in the literature on the assignment of endo- and exo-2-fluoronorbornanes with deuterium substituents in endo-3 and exo-3 positions, also yielding insight into mechanistic details of the corresponding synthesis.

  6. Identifying Stereoisomers by ab-initio Calculation of Secondary Isotope Shifts on NMR Chemical Shieldings

    Directory of Open Access Journals (Sweden)

    Karl-Heinz Böhm

    2014-04-01

    Full Text Available We present ab-initio calculations of secondary isotope effects on NMR chemical shieldings. The change of the NMR chemical shift of a certain nucleus that is observed if another nucleus is replaced by a different isotope can be calculated by computing vibrational corrections on the NMR parameters using electronic structure methods. We demonstrate that the accuracy of the computational results is sufficient to even distinguish different conformers. For this purpose, benchmark calculations for fluoro(2-2Hethane in gauche and antiperiplanar conformation are carried out at the HF, MP2 and CCSD(T level of theory using basis sets ranging from double- to quadruple-zeta quality. The methodology is applied to the secondary isotope shifts for 2-fluoronorbornane in order to resolve an ambiguity in the literature on the assignment of endo- and exo-2-fluoronorbornanes with deuterium substituents in endo-3 and exo-3 positions, also yielding insight into mechanistic details of the corresponding synthesis.

  7. NMR shielding calculations across the periodic table: diamagnetic uranium compounds. 2. Ligand and metal NMR.

    Science.gov (United States)

    Schreckenbach, Georg

    2002-12-16

    In this and a previous article (J. Phys. Chem. A 2000, 104, 8244), the range of application for relativistic density functional theory (DFT) is extended to the calculation of nuclear magnetic resonance (NMR) shieldings and chemical shifts in diamagnetic actinide compounds. Two relativistic DFT methods are used, ZORA ("zeroth-order regular approximation") and the quasirelativistic (QR) method. In the given second paper, NMR shieldings and chemical shifts are calculated and discussed for a wide range of compounds. The molecules studied comprise uranyl complexes, [UO(2)L(n)](+/-)(q); UF(6); inorganic UF(6) derivatives, UF(6-n)Cl(n), n = 0-6; and organometallic UF(6) derivatives, UF(6-n)(OCH(3))(n), n = 0-5. Uranyl complexes include [UO(2)F(4)](2-), [UO(2)Cl(4)](2-), [UO(2)(OH)(4)](2-), [UO(2)(CO(3))(3)](4-), and [UO(2)(H(2)O)(5)](2+). For the ligand NMR, moderate (e.g., (19)F NMR chemical shifts in UF(6-n)Cl(n)) to excellent agreement [e.g., (19)F chemical shift tensor in UF(6) or (1)H NMR in UF(6-n)(OCH(3))(n)] has been found between theory and experiment. The methods have been used to calculate the experimentally unknown (235)U NMR chemical shifts. A large chemical shift range of at least 21,000 ppm has been predicted for the (235)U nucleus. ZORA spin-orbit appears to be the most accurate method for predicting actinide metal chemical shifts. Trends in the (235)U NMR chemical shifts of UF(6-n)L(n) molecules are analyzed and explained in terms of the calculated electronic structure. It is argued that the energy separation and interaction between occupied and virtual orbitals with f-character are the determining factors.

  8. Computed tomography shielding methods: a literature review.

    Science.gov (United States)

    Curtis, Jessica Ryann

    2010-01-01

    To investigate available shielding methods in an effort to further awareness and understanding of existing preventive measures related to patient exposure in computed tomography (CT) scanning. Searches were conducted to locate literature discussing the effectiveness of commercially available shields. Literature containing information regarding breast, gonad, eye and thyroid shielding was identified. Because of rapidly advancing technology, the selection of articles was limited to those published within the past 5 years. The selected studies were examined using the following topics as guidelines: the effectiveness of the shield (percentage of dose reduction), the shield's effect on image quality, arguments for or against its use (including practicality) and overall recommendation for its use in clinical practice. Only a limited number of studies have been performed on the use of shields for the eyes, thyroid and gonads, but the evidence shows an overall benefit to their use. Breast shielding has been the most studied shielding method, with consistent agreement throughout the literature on its effectiveness at reducing radiation dose. The effect of shielding on image quality was not remarkable in a majority of studies. Although it is noted that more studies need to be conducted regarding the impact on image quality, the currently published literature stresses the importance of shielding in reducing dose. Commercially available shields for the breast, thyroid, eyes and gonads should be implemented in clinical practice. Further research is needed to ascertain the prevalence of shielding in the clinical setting.

  9. Symbolic math for computation of radiation shielding

    International Nuclear Information System (INIS)

    Suman, Vitisha; Datta, D.; Sarkar, P.K.; Kushwaha, H.S.

    2010-01-01

    Radiation transport calculations for shielding studies in the field of accelerator technology often involve intensive numerical computations. Traditionally, radiation transport equation is solved using finite difference scheme or advanced finite element method with respect to specific initial and boundary conditions suitable for the geometry of the problem. All these computations need CPU intensive computer codes for accurate calculation of scalar and angular fluxes. Computation using symbols of the analytical expression representing the transport equation as objects is an enhanced numerical technique in which the computation is completely algorithm and data oriented. Algorithm on the basis of symbolic math architecture is developed using Symbolic math toolbox of MATLAB software. Present paper describes the symbolic math algorithm and its application as a case study in which shielding calculation of rectangular slab geometry is studied for a line source of specific activity. Study of application of symbolic math in this domain evolves a new paradigm compared to the existing computer code such as DORT. (author)

  10. Computer control of shielded cell operations

    International Nuclear Information System (INIS)

    Jeffords, W.R. III.

    1987-01-01

    This paper describes in detail a computer system to remotely control shielded cell operations. System hardware, software, and design criteria are discussed. We have designed a computer-controlled buret that provides a tenfold improvement over the buret currently in service. A computer also automatically controls cell analyses, calibrations, and maintenance. This system improves conditions for the operators by providing a safer, more efficient working environment and is expandable for future growth and development

  11. NMRbox: A Resource for Biomolecular NMR Computation.

    Science.gov (United States)

    Maciejewski, Mark W; Schuyler, Adam D; Gryk, Michael R; Moraru, Ion I; Romero, Pedro R; Ulrich, Eldon L; Eghbalnia, Hamid R; Livny, Miron; Delaglio, Frank; Hoch, Jeffrey C

    2017-04-25

    Advances in computation have been enabling many recent advances in biomolecular applications of NMR. Due to the wide diversity of applications of NMR, the number and variety of software packages for processing and analyzing NMR data is quite large, with labs relying on dozens, if not hundreds of software packages. Discovery, acquisition, installation, and maintenance of all these packages is a burdensome task. Because the majority of software packages originate in academic labs, persistence of the software is compromised when developers graduate, funding ceases, or investigators turn to other projects. To simplify access to and use of biomolecular NMR software, foster persistence, and enhance reproducibility of computational workflows, we have developed NMRbox, a shared resource for NMR software and computation. NMRbox employs virtualization to provide a comprehensive software environment preconfigured with hundreds of software packages, available as a downloadable virtual machine or as a Platform-as-a-Service supported by a dedicated compute cloud. Ongoing development includes a metadata harvester to regularize, annotate, and preserve workflows and facilitate and enhance data depositions to BioMagResBank, and tools for Bayesian inference to enhance the robustness and extensibility of computational analyses. In addition to facilitating use and preservation of the rich and dynamic software environment for biomolecular NMR, NMRbox fosters the development and deployment of a new class of metasoftware packages. NMRbox is freely available to not-for-profit users. Copyright © 2017 Biophysical Society. All rights reserved.

  12. solvent effect on 14n nmr shielding of glycine, serine, leucine

    African Journals Online (AJOL)

    a

    constants favor the more polar tautomers. Ab initio calculation of nuclear magnetic shielding has become an indispensable aid in the investigation of molecular structure and accurate assignment of NMR spectra of compounds. The solvation effect is taken into account via the self-consistent reaction field (SCRF) method.

  13. Calculation of the 13C NMR shieldings of the C0 2 complexes of aluminosilicates

    Science.gov (United States)

    Tossell, J. A.

    1995-04-01

    13C NMR shieldings have been calculated using the random-phase-approximation, localized-orbital local-origins version of ab initio coupled Hartree-Fuck perturbation theory for CO 2 and and for several complexes formed by the reaction of CO 2 with molecular models for aluminosilicate glasses, H 3TOT'H3 3-n, T,T' = Si,Al. Two isomeric forms of the CO 2-aluminosilicate complexes have been considered: (1) "CO 2-like" complexes, in which the CO 2 group is bound through carbon to a bridging oxygen and (2) "CO 3-like" complexes, in which two oxygens of a central CO 3 group form bridging bonds to the two TH 3 groups. The CO 2-like isomer of CO 2-H 3SiOSiH 3 is quite weakly bonded and its 13C isotropic NMR shielding is almost identical to that in free CO 2. As Si is progressively replaced by Al in the - H terminated aluminosilicate model, the CO 2-like isomers show increasing distortion from the free CO 2 geometry and their 13C NMR shieldings decrease uniformly. The calculated 13C shielding value for H 3AlO(CO 2)AlH 3-2 is only about 6 ppm larger than that calculated for point charge stabilized CO 3-2. However, for a geometry of H 3SiO(CO 2) AlH 3-1, in which the bridging oxygen to C bond length has been artificially increased to that found in the - OH terminated cluster (OH) 3SiO(CO 2)Al(OH) 3-1, the calculated 13C shielding is almost identical to that for free CO 2. The CO 3-like isomers of the CO 2-aluminosili-cate complexes show carbonate like geometries and 13C NMR shieldings about 4-9 ppm larger than those of carbonate for all T,T' pairs. For the Si,Si tetrahedral atom pair the CO 2-like isomer is more stable energetically, while for the Si,Al and Al,Al cases the CO 3-like isomer is more stable. Addition of Na + ions to the CO 3-2 or H 3AlO(CO 2)AlH 3-2 complexes reduces the 13C NMR shieldings by about 10 ppm. Complexation with either Na + or CO 2 also reduces the 29Si NMR shieldings of the aluminosilicate models, while the changes in 27Al shielding with Na + or CO 2

  14. Four-component relativistic density functional theory calculations of NMR shielding tensors for paramagnetic systems.

    Science.gov (United States)

    Komorovsky, Stanislav; Repisky, Michal; Ruud, Kenneth; Malkina, Olga L; Malkin, Vladimir G

    2013-12-27

    A four-component relativistic method for the calculation of NMR shielding constants of paramagnetic doublet systems has been developed and implemented in the ReSpect program package. The method uses a Kramer unrestricted noncollinear formulation of density functional theory (DFT), providing the best DFT framework for property calculations of open-shell species. The evaluation of paramagnetic nuclear magnetic resonance (pNMR) tensors reduces to the calculation of electronic g tensors, hyperfine coupling tensors, and NMR shielding tensors. For all properties, modern four-component formulations were adopted. The use of both restricted kinetically and magnetically balanced basis sets along with gauge-including atomic orbitals ensures rapid basis-set convergence. These approaches are exact in the framework of the Dirac-Coulomb Hamiltonian, thus providing useful reference data for more approximate methods. Benchmark calculations on Ru(III) complexes demonstrate good performance of the method in reproducing experimental data and also its applicability to chemically relevant medium-sized systems. Decomposition of the temperature-dependent part of the pNMR tensor into the traditional contact and pseudocontact terms is proposed.

  15. Further conventions for NMR shielding and chemical shifts (IUPAC Recommendations 2008)

    Energy Technology Data Exchange (ETDEWEB)

    Harris, R.K. [University of Durham, Durham (United Kingdom). Dept. of Chemistry; Becker, E.D. [National Institutes of Health, Bethesda, MD (United States); Menezes, S.M. Cabral de [PETROBRAS, Rio de Janeiro, RJ (Brazil). Centro de Pesquisas (CENPES); Granger, P. [University Louis Pasteur, Strasbourg (France). Inst. of Chemistry; Hoffman, R.E. [The Hebrew University of Jerusalem, Safra Campus, Jerusalem (Israel). Dept. of Organic Chemistry; Zilm, K.W., E-mail: r.k.harris@durham.ac.uk [Yale University, New Haven, CT (United States). Dept. of Chemistry

    2008-07-01

    IUPAC has published a number of recommendations regarding the reporting of nuclear magnetic resonance (NMR) data, especially chemical shifts. The most recent publication [Pure Appl. Chem. 73, 1795 (2001)] recommended that tetramethylsilane (TMS) serve as a universal reference for reporting the shifts of all nuclides, but it deferred recommendations for several aspects of this subject. This document first examines the extent to which the {sup 1}H shielding in TMS itself is subject to change by variation in temperature, concentration, and solvent. On the basis of recently published results, it has been established that the shielding of TMS in solution [along with that of sodium-3- (trimethylsilyl)propanesulfonate, DSS, often used as a reference for aqueous solutions] varies only slightly with temperature but is subject to solvent perturbations of a few tenths of a part per million (ppm). Recommendations are given for reporting chemical shifts under most routine experimental conditions and for quantifying effects of temperature and solvent variation, including the use of magnetic susceptibility corrections and of magic-angle spinning (MAS). This document provides the first IUPAC recommendations for referencing and reporting chemical shifts in solids, based on high-resolution MAS studies. Procedures are given for relating {sup 13}C NMR chemical shifts in solids to the scales used for high resolution studies in the liquid phase. The notation and terminology used for describing chemical shift and shielding tensors in solids are reviewed in some detail, and recommendations are given for best practice. (author)

  16. Further conventions for NMR shielding and chemical shifts (IUPAC Recommendations 2008)

    International Nuclear Information System (INIS)

    Harris, R.K.; Menezes, S.M. Cabral de; Granger, P.; Hoffman, R.E.; Zilm, K.W.

    2008-01-01

    IUPAC has published a number of recommendations regarding the reporting of nuclear magnetic resonance (NMR) data, especially chemical shifts. The most recent publication [Pure Appl. Chem. 73, 1795 (2001)] recommended that tetramethylsilane (TMS) serve as a universal reference for reporting the shifts of all nuclides, but it deferred recommendations for several aspects of this subject. This document first examines the extent to which the 1 H shielding in TMS itself is subject to change by variation in temperature, concentration, and solvent. On the basis of recently published results, it has been established that the shielding of TMS in solution [along with that of sodium-3- (trimethylsilyl)propanesulfonate, DSS, often used as a reference for aqueous solutions] varies only slightly with temperature but is subject to solvent perturbations of a few tenths of a part per million (ppm). Recommendations are given for reporting chemical shifts under most routine experimental conditions and for quantifying effects of temperature and solvent variation, including the use of magnetic susceptibility corrections and of magic-angle spinning (MAS). This document provides the first IUPAC recommendations for referencing and reporting chemical shifts in solids, based on high-resolution MAS studies. Procedures are given for relating 13 C NMR chemical shifts in solids to the scales used for high resolution studies in the liquid phase. The notation and terminology used for describing chemical shift and shielding tensors in solids are reviewed in some detail, and recommendations are given for best practice. (author)

  17. Radiation shielding properties of barite coated fabric by computer programme

    Energy Technology Data Exchange (ETDEWEB)

    Akarslan, F.; Molla, T. [Suleyman Demirel University, Engineering Fac. Textile Dep., Isparta (Turkey); Üncü, I. S. [Suleyman Demirel University, Technological Fac. Electrical-Electronic Eng. Dep., Isparta (Turkey); Kılıncarslan, S., E-mail: seref@tef.sdu.edu.tr [Suleyman Demirel University, Engineering Fac. Civil Eng. Dep., Isparta (Turkey); Akkurt, I. [Suleyman Demirel University, Art and Science Fac., Physics Dep., Isparta (Turkey)

    2015-03-30

    With the development of technology radiation started to be used in variety of different fields. As the radiation is hazardous for human health, it is important to keep radiation dose as low as possible. This is done mainly using shielding materials. Barite is one of the important materials in this purpose. As the barite is not used directly it can be used in some other materials such as fabric. For this purposes barite has been coated on fabric in order to improve radiation shielding properties of fabric. Determination of radiation shielding properties of coated fabric has been done by using computer program written C# language. With this program the images obtained from digital Rontgen films is used to determine radiation shielding properties in terms of image processing numerical values. Those values define radiation shielding and in this way the coated barite effect on radiation shielding properties of fabric has been obtained.

  18. A conceptual gamma shield design using the DRP model computation

    Energy Technology Data Exchange (ETDEWEB)

    Ahmad, E E [Reactor Department, Nuclear Research Center, Atomic Energy Authority, Cairo (Egypt); Rahman, F A [National Center of Nuclear Safety and Radiation Control, Atomic Energy Authority, Cairo (Egypt)

    1997-12-31

    The purpose of this investigation is to assess basic areas of concern in the development of reactor shielding conceptual design calculations. A spherical shield model composed of low carbon steel and lead have been constructed to surround a Co-60 gamma point source. two alternative configurations have been considered in the model computation. The numerical calculations have been performed using both the ANISN code and DRP model computation together with the DLC 75-Bugle 80 data library. A resume of results for deep penetration in different shield materials with different packing densities is presented and analysed. The results showed that the gamma fluxes attenuation is increased with increasing distribution the packing density of the shield material which reflects its importance of considering it as a safety parameter in shielding design. 3 figs.

  19. Metal alkyls programmed to generate metal alkylidenes by α-H abstraction: prognosis from NMR chemical shift† †Electronic supplementary information (ESI) available: Experimental and computational details, NMR spectra, results of NMR calculations and NCS analysis, graphical representation of shielding tensors, molecular orbital diagrams of selected compounds, optimized structures for all calculated species. See DOI: 10.1039/c7sc05039a

    Science.gov (United States)

    Gordon, Christopher P.; Yamamoto, Keishi; Searles, Keith; Shirase, Satoru

    2018-01-01

    Metal alkylidenes, which are key organometallic intermediates in reactions such as olefination or alkene and alkane metathesis, are typically generated from metal dialkyl compounds [M](CH2R)2 that show distinctively deshielded chemical shifts for their α-carbons. Experimental solid-state NMR measurements combined with DFT/ZORA calculations and a chemical shift tensor analysis reveal that this remarkable deshielding originates from an empty metal d-orbital oriented in the M–Cα–Cα′ plane, interacting with the Cα p-orbital lying in the same plane. This π-type interaction inscribes some alkylidene character into Cα that favors alkylidene generation via α-H abstraction. The extent of the deshielding and the anisotropy of the alkyl chemical shift tensors distinguishes [M](CH2R)2 compounds that form alkylidenes from those that do not, relating the reactivity to molecular orbitals of the respective molecules. The α-carbon chemical shifts and tensor orientations thus predict the reactivity of metal alkyl compounds towards alkylidene generation. PMID:29675237

  20. Correlations between the 1H NMR chemical shieldings and the pKa values of organic acids and amines.

    Science.gov (United States)

    Lu, Juanfeng; Lu, Tingting; Zhao, Xinyun; Chen, Xi; Zhan, Chang-Guo

    2018-06-01

    The acid dissociation constants and 1 H NMR chemical shieldings of organic compounds are important properties that have attracted much research interest. However, few studies have explored the relationship between these two properties. In this work, we theoretically studied the NMR chemical shifts of a series of carboxylic acids and amines in the gas phase and in aqueous solution. It was found that the negative logarithms of the experimental acid dissociation constants (i.e., the pK a values) of the organic acids and amines in aqueous solution correlate almost linearly with the corresponding calculated NMR chemical shieldings. Key factors that affect the theoretically predicted pK a values are discussed in this paper. The present work provides a new way to predict the pK a values of organic/biochemical compounds. Graphical abstract The chemical shielding values of organic acids and amines correlate near linearly with their corresponding pK a values.

  1. Ab initio calculation of Ti NMR shieldings for titanium oxides and halides

    Science.gov (United States)

    Tossell, J. A.

    Titanium NMR shielding constants have been calculated using ab initio coupled Hartree-Fock perturbation theory and polarized double-zeta basis sets for TiF 4, TiF 62-, TiCI 4, Ti(OH) 4, Ti(OH 2) 64+, Ti(OH) 4O, and Ti(OH) 3O -. In all cases the calculations were performed at Hartree-Fuck energy-optimized geometries. For Ti(OH) 4 a S4-symmetry geometry with nonlinear ∠ TiOH was employed. Relative shieldings are in reasonable agreement with experiment for TiF 62-, TiCI 4, and Ti(OR) 4, where R = H or alkyl. Ti(OH 2) 64+ is predicted to be more highly shielded than Ti(OH) 4 by about 340 ppm. The five-coordinate complex Ti(OH) 4O, whose calculated structure matches well that measured by extended X-ray absorption fine structure in K 2O · TiO 2 · SiO 2 glass, is actually deshielded compared to Ti(OH) 4 by about 40 ppm. X-ray absorption-near-edge spectral energies have also been calculated for TiF 4, TiCI 4, Ti(OH) 4, and Ti(OH) 4O using an equivalent ionic core virtual-orbital method and the observed reduction in term energy for the five-coordinate species compared to Ti(OH) 4 has been reproduced. Replacement of the H atoms in Ti(OH) 4 by point charges has only a slight effect upon σTi, suggesting a possible means of incorporating second-neighbor effects in NMR calculations for condensed phases.

  2. Systems for neutronic, thermohydraulic and shielding calculation in personal computers

    International Nuclear Information System (INIS)

    Villarino, E.A.; Abbate, P.; Lovotti, O.; Santini, M.

    1990-01-01

    The MTR-PC (Materials Testing Reactors-Personal Computers) system has been developed by the Nuclear Engineering Division of INVAP S.E. with the aim of providing working conditions integrated with personal computers for design and neutronic, thermohydraulic and shielding analysis for reactors employing plate type fuel. (Author) [es

  3. Shieldings for X-ray radiotherapy facilities calculated by computer

    International Nuclear Information System (INIS)

    Pedrosa, Paulo S.; Farias, Marcos S.; Gavazza, Sergio

    2005-01-01

    This work presents a methodology for calculation of X-ray shielding in facilities of radiotherapy with help of computer. Even today, in Brazil, the calculation of shielding for X-ray radiotherapy is done based on NCRP-49 recommendation establishing a methodology for calculating required to the elaboration of a project of shielding. With regard to high energies, where is necessary the construction of a labyrinth, the NCRP-49 is not very clear, so that in this field, studies were made resulting in an article that proposes a solution to the problem. It was developed a friendly program in Delphi programming language that, through the manual data entry of a basic design of architecture and some parameters, interprets the geometry and calculates the shields of the walls, ceiling and floor of on X-ray radiation therapy facility. As the final product, this program provides a graphical screen on the computer with all the input data and the calculation of shieldings and the calculation memory. The program can be applied in practical implementation of shielding projects for radiotherapy facilities and can be used in a didactic way compared to NCRP-49.

  4. Computational methods for high-energy source shielding

    International Nuclear Information System (INIS)

    Armstrong, T.W.; Cloth, P.; Filges, D.

    1983-01-01

    The computational methods for high-energy radiation transport related to shielding of the SNQ-spallation source are outlined. The basic approach is to couple radiation-transport computer codes which use Monte Carlo methods and discrete ordinates methods. A code system is suggested that incorporates state-of-the-art radiation-transport techniques. The stepwise verification of that system is briefly summarized. The complexity of the resulting code system suggests a more straightforward code specially tailored for thick shield calculations. A short guide line to future development of such a Monte Carlo code is given

  5. Absolute NMR shielding scales and nuclear spin–rotation constants in {sup 175}LuX and {sup 197}AuX (X = {sup 19}F, {sup 35}Cl, {sup 79}Br and {sup 127}I)

    Energy Technology Data Exchange (ETDEWEB)

    Demissie, Taye B., E-mail: taye.b.demissie@uit.no; Komorovsky, Stanislav; Repisky, Michal; Ruud, Kenneth [Centre for Theoretical and Computational Chemistry, Department of Chemistry, UiT The Arctic University of Norway, N-9037 Tromsø (Norway); Jaszuński, Michał [Institute of Organic Chemistry, Polish Academy of Sciences, Kasprzaka 44, 01 224 Warszawa (Poland)

    2015-10-28

    We present nuclear spin–rotation constants, absolute nuclear magnetic resonance (NMR) shielding constants, and shielding spans of all the nuclei in {sup 175}LuX and {sup 197}AuX (X = {sup 19}F, {sup 35}Cl, {sup 79}Br, {sup 127}I), calculated using coupled-cluster singles-and-doubles with a perturbative triples (CCSD(T)) correction theory, four-component relativistic density functional theory (relativistic DFT), and non-relativistic DFT. The total nuclear spin–rotation constants determined by adding the relativistic corrections obtained from DFT calculations to the CCSD(T) values are in general in agreement with available experimental data, indicating that the computational approach followed in this study allows us to predict reliable results for the unknown spin–rotation constants in these molecules. The total NMR absolute shielding constants are determined for all the nuclei following the same approach as that applied for the nuclear spin–rotation constants. In most of the molecules, relativistic effects significantly change the computed shielding constants, demonstrating that straightforward application of the non-relativistic formula relating the electronic contribution to the nuclear spin–rotation constants and the paramagnetic contribution to the shielding constants does not yield correct results. We also analyze the origin of the unusually large absolute shielding constant and its relativistic correction of gold in AuF compared to the other gold monohalides.

  6. 71Ga Chemical Shielding and Quadrupole Coupling Tensors of the Garnet Y(3)Ga(5)O(12) from Single-Crystal (71)Ga NMR

    DEFF Research Database (Denmark)

    Vosegaard, Thomas; Massiot, Dominique; Gautier, Nathalie

    1997-01-01

    A single-crystal (71)Ga NMR study of the garnet Y(3)Ga(5)O(12) (YGG) has resulted in the determination of the first chemical shielding tensors reported for the (71)Ga quadrupole. The single-crystal spectra are analyzed in terms of the combined effect of quadrupole coupling and chemical shielding ...

  7. Comparison of different methods for shielding design in computed tomography

    International Nuclear Information System (INIS)

    Ciraj-Bjelac, O.; Arandjic, D.; Kosutic, D.

    2011-01-01

    The purpose of this work is to compare different methods for shielding calculation in computed tomography (CT). The BIR-IPEM (British Inst. of Radiology and Inst. of Physics in Engineering in Medicine) and NCRP (National Council on Radiation Protection) method were used for shielding thickness calculation. Scattered dose levels and calculated barrier thickness were also compared with those obtained by scatter dose measurements in the vicinity of a dedicated CT unit. Minimal requirement for protective barriers based on BIR-IPEM method ranged between 1.1 and 1.4 mm of lead demonstrating underestimation of up to 20 % and overestimation of up to 30 % when compared with thicknesses based on measured dose levels. For NCRP method, calculated thicknesses were 33 % higher (27-42 %). BIR-IPEM methodology-based results were comparable with values based on scattered dose measurements, while results obtained using NCRP methodology demonstrated an overestimation of the minimal required barrier thickness. (authors)

  8. Computational characterization of 13C NMR lineshapes of carbon dioxide in structure 1 clathrate hydrates

    Energy Technology Data Exchange (ETDEWEB)

    Dornan, P.; Woo, T.K. [Ottawa Univ., ON (Canada). Dept. of Chemistry

    2008-07-01

    Nonspherical large cages in structure one clathrates impose non-uniform motion of nonspherical guest molecules and anisotropic lineshapes in nuclear magnetic resonance (NMR) spectra of the guest. This paper presented a general method for calculating the chemical shift lineshape anisotropy of guest molecules in clathrate hydrate compounds from molecular dynamics simulations for the case of weak host, guest dipolar coupling. In order to calculate the cage chemical shielding tensors and the NMR lineshape produced by each guest molecule, the study involved the use of orientational distributions from molecular dynamics simulation along with time and powder angle averaging. The total predicted lineshape anisotropy was calculated from the superposition of the lineshapes of all guests. The approach was applied to calculate the temperature dependent 13C NMR lineshape anisotropy of carbon dioxide in structure 1 clathrates. The paper presented the computational methodology and results and discussion. It was concluded that the resulting lineshapes were in good agreement with the experimental 13C NMR spectrum at each temperature. The method provided a uniform procedure to calculate the lineshapes at different temperatures and no prior assumptions about the nature of the motion of the guest in cages was required. 37 refs., 2 tabs., 3 figs.

  9. NMR shielding and spin–rotation constants of {sup 175}LuX (X = {sup 19}F, {sup 35}Cl, {sup 79}Br, {sup 127}I) molecules

    Energy Technology Data Exchange (ETDEWEB)

    Demissie, Taye B. [Centre for Theoretical and Computational Chemistry Department of Chemistry, UiT – The Arctic University of Norway, N-9037 Tromsø (Norway)

    2015-12-31

    This presentation demonstrates the relativistic effects on the spin-rotation constants, absolute nuclear magnetic resonance (NMR) shielding constants and shielding spans of {sup 175}LuX (X = {sup 19}F, {sup 35}Cl, {sup 79}Br, {sup 127}I) molecules. The results are obtained from calculations performed using density functional theory (non-relativistic and four-component relativistic) and coupled-cluster calculations. The spin-rotation constants are compared with available experimental values. In most of the molecules studied, relativistic effects make an order of magnitude difference on the NMR absolute shielding constants.

  10. Shielding Calculations for Positron Emission Tomography - Computed Tomography Facilities

    Energy Technology Data Exchange (ETDEWEB)

    Baasandorj, Khashbayar [Korea Atomic Energy Research Institute, Daejeon (Korea, Republic of); Yang, Jeongseon [Korea Institute of Nuclear Safety, Daejeon (Korea, Republic of)

    2015-10-15

    Integrated PET-CT has been shown to be more accurate for lesion localization and characterization than PET or CT alone, and the results obtained from PET and CT separately and interpreted side by side or following software based fusion of the PET and CT datasets. At the same time, PET-CT scans can result in high patient and staff doses; therefore, careful site planning and shielding of this imaging modality have become challenging issues in the field. In Mongolia, the introduction of PET-CT facilities is currently being considered in many hospitals. Thus, additional regulatory legislation for nuclear and radiation applications is necessary, for example, in regulating licensee processes and ensuring radiation safety during the operations. This paper aims to determine appropriate PET-CT shielding designs using numerical formulas and computer code. Since presently there are no PET-CT facilities in Mongolia, contact was made with radiological staff at the Nuclear Medicine Center of the National Cancer Center of Mongolia (NCCM) to get information about facilities where the introduction of PET-CT is being considered. Well-designed facilities do not require additional shielding, which should help cut down overall costs related to PET-CT installation. According to the results of this study, building barrier thicknesses of the NCCM building is not sufficient to keep radiation dose within the limits.

  11. Computer compensation for NMR quantitative analysis of trace components

    International Nuclear Information System (INIS)

    Nakayama, T.; Fujiwara, Y.

    1981-01-01

    A computer program has been written that determines trace components and separates overlapping components in multicomponent NMR spectra. This program uses the Lorentzian curve as a theoretical curve of NMR spectra. The coefficients of the Lorentzian are determined by the method of least squares. Systematic errors such as baseline/phase distortion are compensated and random errors are smoothed by taking moving averages, so that there processes contribute substantially to decreasing the accumulation time of spectral data. The accuracy of quantitative analysis of trace components has been improved by two significant figures. This program was applied to determining the abundance of 13C and the saponification degree of PVA

  12. Numerical simulation of NQR/NMR: Applications in quantum computing.

    Science.gov (United States)

    Possa, Denimar; Gaudio, Anderson C; Freitas, Jair C C

    2011-04-01

    A numerical simulation program able to simulate nuclear quadrupole resonance (NQR) as well as nuclear magnetic resonance (NMR) experiments is presented, written using the Mathematica package, aiming especially applications in quantum computing. The program makes use of the interaction picture to compute the effect of the relevant nuclear spin interactions, without any assumption about the relative size of each interaction. This makes the program flexible and versatile, being useful in a wide range of experimental situations, going from NQR (at zero or under small applied magnetic field) to high-field NMR experiments. Some conditions specifically required for quantum computing applications are implemented in the program, such as the possibility of use of elliptically polarized radiofrequency and the inclusion of first- and second-order terms in the average Hamiltonian expansion. A number of examples dealing with simple NQR and quadrupole-perturbed NMR experiments are presented, along with the proposal of experiments to create quantum pseudopure states and logic gates using NQR. The program and the various application examples are freely available through the link http://www.profanderson.net/files/nmr_nqr.php. Copyright © 2011 Elsevier Inc. All rights reserved.

  13. Chiral discrimination in NMR spectroscopy: computation of the relevant molecular pseudoscalars

    Science.gov (United States)

    Buckingham, A. David; Lazzeretti, Paolo; Pelloni, Stefano

    2015-07-01

    Nuclear magnetic resonance (NMR) is normally blind to chirality but it has been predicted that precessing nuclear spins in a strong magnetic field induce a rotating electric polarisation that is of opposite sign for enantiomers. The polarisation is determined by two pseudoscalars, ? and ?. The former arises from the distortion of the electronic structure by the nuclear magnetic moment in the presence of the strong magnetic field and is equivalent to the linear effect of an electric field on the nuclear shielding tensor. ? determines the temperature-dependent partial orientation of the permanent electric dipole moment of the molecule by the antisymmetric part of the nuclear shielding tensor. Computations of these two contributions are reported for the nuclei in the chiral molecules N-methyloxaziridine, 2-methyloxirane, 1,3-dimethylallene, 1-fluoroethanol, 2-fluoroazirine, 1,2-M-dioxin, 1,2-M-dithiin, 1,2-M-diselenin and 1,2-M-ditellurin. For strongly dipolar molecules, ? is typically two to three orders of magnitude greater than ?, raising hopes for the detection of chirality in NMR spectroscopy. This paper is dedicated to the memory of Prof. Nicholas Handy, F.R.S.

  14. Computer code for shielding calculations of x-rays rooms

    International Nuclear Information System (INIS)

    Affonso, R.R.W.; Borges, D. da S.; Lava, D.D.; Moreira, M. de L.; Guimarães, A.C.F.

    2015-01-01

    The building an effective barrier against ionizing radiation present in radiographic rooms requires consideration of many variables. The methodology used for thickness specification of primary and secondary, barrier of a traditional radiographic room, considers the following factors: Use Factor, Occupational Factor, distance between the source and the wall, Workload, Kerma in the air and distance between the patient and the source. With these data it was possible to develop a computer code, which aims to identify and use variables in functions obtained through graphics regressions provided by NCRP-147 (Structural Shielding Design for Medical X-Ray Imaging Facilities) report, for shielding calculation of room walls, and the walls of the dark room and adjacent areas. With the implemented methodology, it was made a code validation by comparison of results with a study case provided by the report. The obtained values for thickness comprise different materials such as concrete, lead and glass. After validation it was made a case study of an arbitrary radiographic room.The development of the code resulted in a user-friendly tool for planning radiographic rooms to comply with the limits established by CNEN-NN-3:01 published in september/2011. (authors)

  15. Development of a computer-based pulsed NMR thermometer

    International Nuclear Information System (INIS)

    Hobeika, Alexandre; Haard, T.M.; Hoskinson, E.M.; Packard, R.E.

    2003-01-01

    We have designed a fully computer-controlled pulsed NMR system, using the National Instruments PCI-6115 data acquisition board. We use it for millikelvin thermometry and have developed a special control program, written in LabVIEW, for this purpose. It can perform measurements of temperature via the susceptibility or the τ 1 dependence. This system requires little hardware, which makes it very versatile, easily reproducible and customizable

  16. Development of Computer Program for Analysis of Irregular Non Homogenous Radiation Shielding

    International Nuclear Information System (INIS)

    Bang Rozali; Nina Kusumah; Hendro Tjahjono; Darlis

    2003-01-01

    A computer program for radiation shielding analysis has been developed to obtain radiation attenuation calculation in non-homogenous radiation shielding and irregular geometry. By determining radiation source strength, geometrical shape of radiation source, location, dimension and geometrical shape of radiation shielding, radiation level of a point at certain position from radiation source can be calculated. By using a computer program, calculation result of radiation distribution analysis can be obtained for some analytical points simultaneously. (author)

  17. Generation of Gaussian 09 Input Files for the Computation of 1H and 13C NMR Chemical Shifts of Structures from a Spartan’14 Conformational Search

    OpenAIRE

    sprotocols

    2014-01-01

    Authors: Spencer Reisbick & Patrick Willoughby ### Abstract This protocol describes an approach to preparing a series of Gaussian 09 computational input files for an ensemble of conformers generated in Spartan’14. The resulting input files are necessary for computing optimum geometries, relative conformer energies, and NMR shielding tensors using Gaussian. Using the conformational search feature within Spartan’14, an ensemble of conformational isomers was obtained. To convert the str...

  18. Computational 17O-NMR spectroscopy of organic acids and peracids: comparison of solvation models

    International Nuclear Information System (INIS)

    Baggioli, Alberto; Castiglione, Franca; Raos, Guido; Crescenzi, Orlando; Field, Martin J.

    2013-01-01

    We examine several computational strategies for the prediction of the 17 O-NMR shielding constants for a selection of organic acids and peracids in aqueous solution. In particular, we consider water (the solvent and reference for the chemical shifts), hydrogen peroxide, acetic acid, lactic acid and peracetic acid. First of all, we demonstrate that the PBE0 density functional in combination with the 6-311+G(d,p) basis set provides an excellent compromise between computational cost and accuracy in the calculation of the shielding constants. Next, we move on to the problem of the solvent representation. Our results confirm the shortcomings of the Polarizable Continuum Model (PCM) in the description of systems susceptible to strong hydrogen bonding interactions, while at the same time they demonstrate its usefulness within a molecular-continuum approach, whereby PCM is applied to describe the solvation of the solute surrounded by some explicit solvent molecules. We examine different models of the solvation shells, sampling their configurations using both energy minimizations of finite clusters and molecular dynamics simulations of bulk systems. Hybrid molecular dynamics simulations, in which the solute is described at the PM6 semiempirical level and the solvent by the TIP3P model, prove to be a promising sampling method for medium-to-large sized systems. The roles of solvent shell size and structure are also briefly discussed. (authors)

  19. NMR

    International Nuclear Information System (INIS)

    Kneeland, J.B.; Lee, B.C.P.; Whalen, J.P.; Knowles, R.J.R.; Cahill, P.T.

    1984-01-01

    Although still quite new, NMR imaging has already emerged as a safe, noninvasive, painless, and effective diagnostic modality requiring no ionizing radiation. Also, NMR appears already to have established itself as the method of choice for the examination of the brain spinal cord (excluding herniated disks). Another area in which NMR excels is in the examination of the pelvis. The use of surface coils offers the promise of visualizing structures with resolution unobtainable by any other means. In addition, NMR, with its superb visualization of vascular structures and potential ability to measure flow, may soon revolutionize the diagnosis of cardiovascular disease. Finally, NMR, through biochemically and physiologically based T/sub 1/ and T/sub 2/ indices or through spectroscopy, may provide a means of monitoring therapeutic response so as to permit tailoring of treatment to the individual patient. In short, NMR is today probably at the same stage as the x-ray was in Roentgen's day

  20. B-11-NMR shielding effects in the closo borane series: sensitivity of shifts and their additivity

    Czech Academy of Sciences Publication Activity Database

    Štíbr, Bohumil

    2017-01-01

    Roč. 41, č. 23 (2017), s. 14452-14456 ISSN 1144-0546 R&D Projects: GA ČR(CZ) GA16-01618S Institutional support: RVO:61388980 Keywords : nmr-spectra * vibrational-spectra * carborane derivatives * decaborate anion * heteroboranes Subject RIV: CA - Inorganic Chemistry OBOR OECD: Inorganic and nuclear chemistry Impact factor: 3.269, year: 2016

  1. Influence of stacking interactions on NMR chemical shielding tensors in benzene and formamide homodimers as studied by HF, DFT and MP2 calculations

    Czech Academy of Sciences Publication Activity Database

    Czernek, Jiří

    2003-01-01

    Roč. 107, č. 19 (2003), s. 3952-3959 ISSN 1089-5639 R&D Projects: GA AV ČR KJB4050311 Institutional research plan: CEZ:AV0Z4050913 Keywords : NMR * chemical shielding tensor * ab initio Subject RIV: CD - Macromolecular Chemistry Impact factor: 2.792, year: 2003

  2. Ab Initio Calculations of 31P NMR Chemical Shielding Anisotropy Tensors in Phosphates: Variations Due to Ring Formation

    Directory of Open Access Journals (Sweden)

    Todd M. Alam

    2002-08-01

    Full Text Available Abstract: Ring formation in phosphate systems is expected to influence both the magnitude and orientation of the phosphorus (31P nuclear magnetic resonance (NMR chemical shielding anisotropy (CSA tensor. Ab initio calculations of the 31P CSA tensor in both cyclic and acyclic phosphate clusters were performed as a function of the number of phosphate tetrahedral in the system. The calculation of the 31P CSA tensors employed the GAUSSIAN 98 implementation of the gauge-including atomic orbital (GIAO method at the Hartree-Fock (HF level. It is shown that both the 31P CSA tensor anisotropy, and the isotropic chemical shielding can be used for the identification of cyclic phosphates. The differences between the 31P CSA tensor in acyclic and cyclic phosphate systems become less pronounced with increasing number of phosphate groups within the ring. The orientation of the principal components for the 31P CSA tensor shows some variation due to cyclization, most notably with the smaller, highly strained ring systems.

  3. Environmental optimization and shielding for NMR experiments and imaging in the earth's magnetic field.

    Science.gov (United States)

    Favre, B; Bonche, J P; Meheir, H; Peyrin, J O

    1990-02-01

    For many years, a number of laboratories have been working on the applications of very low field NMR. In 1985, our laboratory presented the first NMR images using the earth's magnetic field. However, the use of this technique was limited by the weakness of the signal and the disturbing effects of the environment on the signal-to-noise ratio and on the homogeneity of the static magnetic field. Therefore experiments has to be performed in places with low environmental disturbances, such as open country or large parks. In 1986, we installed a new station in Lyon, in the town's hostile environment. Good NMR signals can now be obtained (with a signal-to-noise ratio better than 200 and a time constant T2 better than 3s for 200-mnl water samples and at a temperature of about 40 degrees C). We report the terrace roof of our faculty building. Gradient coils were used to correct the local inhomogeneities of the earth's magnetic field. We show FIDs and MR images of water-filled tubes made with or without these improvements.

  4. Experimental demonstration of deterministic one-way quantum computing on a NMR quantum computer

    OpenAIRE

    Ju, Chenyong; Zhu, Jing; Peng, Xinhua; Chong, Bo; Zhou, Xianyi; Du, Jiangfeng

    2008-01-01

    One-way quantum computing is an important and novel approach to quantum computation. By exploiting the existing particle-particle interactions, we report the first experimental realization of the complete process of deterministic one-way quantum Deutsch-Josza algorithm in NMR, including graph state preparation, single-qubit measurements and feed-forward corrections. The findings in our experiment may shed light on the future scalable one-way quantum computation.

  5. Realization of seven-qubit Deutsch-Jozsa algorithm on NMR quantum computer

    International Nuclear Information System (INIS)

    Wei Daxiu; Yang Xiaodong; Luo Jun; Sun Xianping; Zeng Xizhi; Liu Maili; Ding Shangwu

    2002-01-01

    Recent years, remarkable progresses in experimental realization of quantum information have been made, especially based on nuclear magnetic resonance (NMR) theory. In all quantum algorithms, Deutsch-Jozsa algorithm has been widely studied. It can be realized on NMR quantum computer and also can be simplified by using the Cirac's scheme. At first the principle of Deutsch-Jozsa quantum algorithm is analyzed, then the authors implement the seven-qubit Deutsch-Jozsa algorithm on NMR quantum computer

  6. Study and application of Dot 3.5 computer code in radiation shielding problems

    International Nuclear Information System (INIS)

    Otto, A.C.; Mendonca, A.G.; Maiorino, J.R.

    1983-01-01

    The application of nuclear transportation code S sub(N), Dot 3.5, to radiation shielding problems is revised. Aiming to study the better available option (convergence scheme, calculation mode), of DOT 3.5 computer code to be applied in radiation shielding problems, a standard model from 'Argonne Code Center' was selected and a combination of several calculation options to evaluate the accuracy of the results and the computational time was used, for then to select the more efficient option. To illustrate the versatility and efficacy in the application of the code for tipical shielding problems, the streaming neutrons calculation along a sodium coolant channel is ilustrated. (E.G.) [pt

  7. Shielding calculations using computer techniques; Calculo de blindajes mediante tecnicas de computacion

    Energy Technology Data Exchange (ETDEWEB)

    Gonzalez Portilla, M. I.; Marquez, J.

    2011-07-01

    Radiological protection aims to limit the ionizing radiation received by people and equipment, which in numerous occasions requires of protection shields. Although, for certain configurations, there are analytical formulas, to characterize these shields, the design setup may be very intensive in numerical calculations, therefore the most efficient from to design the shields is by means of computer programs to calculate dose and dose rates. In the present article we review the codes most frequently used to perform these calculations, and the techniques used by such codes. (Author) 13 refs.

  8. Characterization of a lead breast shielding for dose reduction in computed tomography

    Energy Technology Data Exchange (ETDEWEB)

    Correia, Paula Duarte; Brochi, Marco Aurelio Corte; Azevedo-Marques, Paulo Mazzoncini de, E-mail: pauladuarte@usp.br [Universidade de Sao Paulo (FM/RSP), Ribeirao Preto, SP (Brazil). Faculdade de Medicina; Granzotti, Cristiano Roberto Fabri; Santos, Yago da Silva [Universidade de Sao Paulo (FFCLRP/RSP), Ribeirao Preto, SP (Brazil). Faculdade de Filosofia, Ciencias e Letras

    2014-07-15

    Objective: several studies have been published regarding the use of bismuth shielding to protect the breast in computed tomography (CT) scans and, up to the writing of this article, only one publication about barium shielding was found. The present study was aimed at characterizing, for the first time, a lead breast shielding. Materials and methods: the percentage dose reduction and the influence of the shielding on quantitative imaging parameters were evaluated. Dose measurements were made on a CT equipment with the aid of specific phantoms and radiation detectors. A processing software assisted in the qualitative analysis evaluating variations in average CT number and noise on images. Results: the authors observed a reduction in entrance dose by 30% and in CTDIvol by 17%. In all measurements, in agreement with studies in the literature, the utilization of cotton fiber as spacer object reduced significantly the presence of artifacts on the images. All the measurements demonstrated increase in the average CT number and noise on the images with the presence of the shielding. Conclusion: as expected, the data observed with the use of lead shielding were of the same order as those found in the literature about bismuth shielding. (author)

  9. Influence of lead apron shielding on absorbed doses from cone-beam computed tomography.

    Science.gov (United States)

    Rottke, Dennis; Andersson, Jonas; Ejima, Ken-Ichiro; Sawada, Kunihiko; Schulze, Dirk

    2017-06-01

    The aim of the present work was to investigate absorbed and to calculate effective doses (EDs) in cone-beam computed tomography (CBCT). The study was conducted using examination protocols with and without lead apron shielding. A full-body male RANDO® phantom was loaded with 110 GR200A thermoluminescence dosemeter chips at 55 different sites and set up in two different CBCT systems (CS 9500®, ProMax® 3D). Two different protocols were performed: the phantom was set up (1) with and (2) without a lead apron. No statistically significant differences in organ and absorbed doses from regions outside the primary beam could be found when comparing results from exposures with and without lead apron shielding. Consequently, calculating the ED showed no significant differences between the examination protocols with and without lead apron shielding. For the ProMax® 3D with shielding, the ED was 149 µSv, and for the examination protocol without shielding 148 µSv (SD = 0.31 µSv). For the CS 9500®, the ED was 88 and 86 µSv (SD = 0.95 µSv), respectively, with and without lead apron shielding. The results revealed no statistically significant differences in the absorbed doses between examination with and without lead apron shielding, especially in organs outside the primary beam. © The Author 2016. Published by Oxford University Press. All rights reserved. For Permissions, please email: journals.permissions@oup.com.

  10. Influence of lead apron shielding on absorbed doses from cone-beam computed tomography

    International Nuclear Information System (INIS)

    Rottke, Dennis; Andersson, Jonas; Ejima, Ken-Ichiro; Sawada, Kunihiko; Schulze, Dirk

    2017-01-01

    The aim of the present work was to investigate absorbed and to calculate effective doses (EDs) in cone-beam computed tomography (CBCT). The study was conducted using examination protocols with and without lead apron shielding. A full-body male RANDO"R phantom was loaded with 110 GR200A thermoluminescence dosemeter chips at 55 different sites and set up in two different CBCT systems (CS 9500"R, ProMax"R 3D). Two different protocols were performed: the phantom was set up (1) with and (2) without a lead apron. No statistically significant differences in organ and absorbed doses from regions outside the primary beam could be found when comparing results from exposures with and without lead apron shielding. Consequently, calculating the ED showed no significant differences between the examination protocols with and without lead apron shielding. For the ProMax"R 3D with shielding, the ED was 149 μSv, and for the examination protocol without shielding 148 μSv (SD = 0.31 μSv). For the CS 9500"R, the ED was 88 and 86 μSv (SD = 0.95 μSv), respectively, with and without lead apron shielding. The results revealed no statistically significant differences in the absorbed doses between examination with and without lead apron shielding, especially in organs outside the primary beam. (authors)

  11. Molecular dynamics computer simulations based on NMR data

    International Nuclear Information System (INIS)

    Vlieg, J. de.

    1989-01-01

    In the work described in this thesis atom-atom distance information obtained from two-dimensional cuclear magnetic resonance is combined with molecular dynamics simulaitons. The simulation is used to improve the accuracy of a structure model constructed on the basis of NMR data. During the MD refinement the crude NMR structure is simultaneously optimized with respect to the atomic interaction function and to the set of atom-atom distances or other NMR information. This means that insufficient experimental data is completed with theoretical knowledge and the combination will lead to more reliable structures than would be obtained from one technique alone. (author). 191 refs.; 17 figs.; 12 schemes; 22 tabs

  12. The computer code system for reactor radiation shielding in design of nuclear power plant

    International Nuclear Information System (INIS)

    Li Chunhuai; Fu Shouxin; Liu Guilian

    1995-01-01

    The computer code system used in reactor radiation shielding design of nuclear power plant includes the source term codes, discrete ordinate transport codes, Monte Carlo and Albedo Monte Carlo codes, kernel integration codes, optimization code, temperature field code, skyshine code, coupling calculation codes and some processing codes for data libraries. This computer code system has more satisfactory variety of codes and complete sets of data library. It is widely used in reactor radiation shielding design and safety analysis of nuclear power plant and other nuclear facilities

  13. Evaluating amber force fields using computed NMR chemical shifts.

    Science.gov (United States)

    Koes, David R; Vries, John K

    2017-10-01

    NMR chemical shifts can be computed from molecular dynamics (MD) simulations using a template matching approach and a library of conformers containing chemical shifts generated from ab initio quantum calculations. This approach has potential utility for evaluating the force fields that underlie these simulations. Imperfections in force fields generate flawed atomic coordinates. Chemical shifts obtained from flawed coordinates have errors that can be traced back to these imperfections. We use this approach to evaluate a series of AMBER force fields that have been refined over the course of two decades (ff94, ff96, ff99SB, ff14SB, ff14ipq, and ff15ipq). For each force field a series of MD simulations are carried out for eight model proteins. The calculated chemical shifts for the 1 H, 15 N, and 13 C a atoms are compared with experimental values. Initial evaluations are based on root mean squared (RMS) errors at the protein level. These results are further refined based on secondary structure and the types of atoms involved in nonbonded interactions. The best chemical shift for identifying force field differences is the shift associated with peptide protons. Examination of the model proteins on a residue by residue basis reveals that force field performance is highly dependent on residue position. Examination of the time course of nonbonded interactions at these sites provides explanations for chemical shift differences at the atomic coordinate level. Results show that the newer ff14ipq and ff15ipq force fields developed with the implicitly polarized charge method perform better than the older force fields. © 2017 Wiley Periodicals, Inc.

  14. Computing Moment-Based Probability Tables for Self-Shielding Calculations in Lattice Codes

    International Nuclear Information System (INIS)

    Hebert, Alain; Coste, Mireille

    2002-01-01

    As part of the self-shielding model used in the APOLLO2 lattice code, probability tables are required to compute self-shielded cross sections for coarse energy groups (typically with 99 or 172 groups). This paper describes the replacement of the multiband tables (typically with 51 subgroups) with moment-based tables in release 2.5 of APOLLO2. An improved Ribon method is proposed to compute moment-based probability tables, allowing important savings in CPU resources while maintaining the accuracy of the self-shielding algorithm. Finally, a validation is presented where the absorption rates obtained with each of these techniques are compared with exact values obtained using a fine-group elastic slowing-down calculation in the resolved energy domain. Other results, relative to the Rowland's benchmark and to three assembly production cases, are also presented

  15. Development of Point Kernel Shielding Analysis Computer Program Implementing Recent Nuclear Data and Graphic User Interfaces

    International Nuclear Information System (INIS)

    Kang, Sang Ho; Lee, Seung Gi; Chung, Chan Young; Lee, Choon Sik; Lee, Jai Ki

    2001-01-01

    In order to comply with revised national regulationson radiological protection and to implement recent nuclear data and dose conversion factors, KOPEC developed a new point kernel gamma and beta ray shielding analysis computer program. This new code, named VisualShield, adopted mass attenuation coefficient and buildup factors from recent ANSI/ANS standards and flux-to-dose conversion factors from the International Commission on Radiological Protection (ICRP) Publication 74 for estimation of effective/equivalent dose recommended in ICRP 60. VisualShield utilizes graphical user interfaces and 3-D visualization of the geometric configuration for preparing input data sets and analyzing results, which leads users to error free processing with visual effects. Code validation and data analysis were performed by comparing the results of various calculations to the data outputs of previous programs such as MCNP 4B, ISOSHLD-II, QAD-CGGP, etc

  16. Computer software for linear and nonlinear regression in organic NMR

    International Nuclear Information System (INIS)

    Canto, Eduardo Leite do; Rittner, Roberto

    1991-01-01

    Calculation involving two variable linear regressions, require specific procedures generally not familiar to chemist. For attending the necessity of fast and efficient handling of NMR data, a self explained and Pc portable software has been developed, which allows user to produce and use diskette recorded tables, containing chemical shift or any other substituent physical-chemical measurements and constants (σ T , σ o R , E s , ...)

  17. Computer simulation of FT-NMR multiple pulse experiment

    Science.gov (United States)

    Allouche, A.; Pouzard, G.

    1989-04-01

    Using the product operator formalism in its real form, SIMULDENS expands the density matrix of a scalar coupled nuclear spin system and simulates analytically a large variety of FT-NMR multiple pulse experiments. The observable transverse magnetizations are stored and can be combined to represent signal accumulation. The programming language is VAX PASCAL, but a MacIntosh Turbo Pascal Version is also available.

  18. Computer simulation of FT-NMR multiple pulse experiment

    International Nuclear Information System (INIS)

    Allouche, A.; Pouzard, G.

    1989-01-01

    Using the product operator formalism in its real form, SIMULDENS expands the density matrix of a scalar coupled nuclear spin system and simulates analytically a large variety of FT-NMR multiple pulse experiments. The observable transverse magnetizations are stored and can be combined to represent signal accumulation. The programming language is VAX PASCAL, but a MacIntosh Turbo Pascal Version is also available. (orig.)

  19. CREST : a computer program for the calculation of composition dependent self-shielded cross-sections

    International Nuclear Information System (INIS)

    Kapil, S.K.

    1977-01-01

    A computer program CREST for the calculation of the composition and temperature dependent self-shielded cross-sections using the shielding factor approach has been described. The code includes the editing and formation of the data library, calculation of the effective shielding factors and cross-sections, a fundamental mode calculation to generate the neutron spectrum for the system which is further used to calculate the effective elastic removal cross-sections. Studies to explore the sensitivity of reactor parameters to changes in group cross-sections can also be carried out by using the facility available in the code to temporarily change the desired constants. The final self-shielded and transport corrected group cross-sections can be dumped on cards or magnetic tape in a suitable form for their direct use in a transport or diffusion theory code for detailed reactor calculations. The program is written in FORTRAN and can be accommodated in a computer with 32 K work memory. The input preparation details, sample problem and the listing of the program are given. (author)

  20. Efficacy of Lower-Body Shielding in Computed Tomography Fluoroscopy-Guided Interventions

    International Nuclear Information System (INIS)

    Mahnken, Andreas H.; Sedlmair, Martin; Ritter, Christine; Banckwitz, Rosemarie; Flohr, Thomas

    2012-01-01

    Purpose: Computed tomography (CT) fluoroscopy-guided interventions pose relevant radiation exposure to the interventionalist. The goal of this study was to analyze the efficacy of lower-body shielding as a simple structural method for decreasing radiation dose to the interventionalist without limiting access to the patient. Material and Methods: All examinations were performed with a 128-slice dual source CT scanner (12 × 1.2-mm collimation; 120 kV; and 20, 40, 60, and 80 mAs) and an Alderson-Rando phantom. Scatter radiation was measured with an ionization chamber and a digital dosimeter at standardized positions and heights with and without a lower-body lead shield (0.5-mm lead equivalent; Kenex, Harlow, UK). Dose decreases were computed for the different points of measurement. Results: On average, lower-body shielding decreased scatter radiation by 38.2% within a 150-cm radius around the shielding. This decrease is most significant close to the gantry opening and at low heights of 50 and 100 cm above the floor with a maximum decrease of scatter radiation of 95.9% close to the scanner’s isocentre. With increasing distance to the gantry opening, the effect decreased. There is almost no dose decrease effect at ≥150 above the floor. Scatter radiation and its decrease were linearly correlated with the tube current-time product (r 2 = 0.99), whereas percent scatter radiation decrease was independent of the tube current-time product. Conclusion: Lower-body shielding is an effective way to decrease radiation exposure to the interventionalist and should routinely be used in CT fluoroscopy-guided interventions.

  1. Ab initio and relativistic DFT study of spin–rotation and NMR shielding constants in XF{sub 6} molecules, X = S, Se, Te, Mo, and W

    Energy Technology Data Exchange (ETDEWEB)

    Ruud, Kenneth [Centre for Theoretical and Computational Chemistry, Department of Chemistry, University of Tromsø—The Arctic University of Norway, N-9037 Tromsø (Norway); Demissie, Taye B. [Centre for Theoretical and Computational Chemistry, Department of Chemistry, University of Tromsø—The Arctic University of Norway, N-9037 Tromsø (Norway); Institute of Physical Chemistry, Polish Academy of Sciences, 01-224 Warszawa, Kasprzaka 44 (Poland); Jaszuński, Michał, E-mail: michal.jaszunski@icho.edu.pl [Institute of Organic Chemistry, Polish Academy of Sciences, 01-224 Warszawa, Kasprzaka 44 (Poland)

    2014-05-21

    We present an analysis of the spin–rotation and absolute shielding constants of XF{sub 6} molecules (X = S, Se, Te, Mo, W) based on ab initio coupled cluster and four-component relativistic density-functional theory (DFT) calculations. The results show that the relativistic contributions to the spin–rotation and shielding constants are large both for the heavy elements as well as for the fluorine nuclei. In most cases, incorporating the computed relativistic corrections significantly improves the agreement between our results and the well-established experimental values for the isotropic spin–rotation constants and their anisotropic components. This suggests that also for the other molecules, for which accurate and reliable experimental data are not available, reliable values of spin–rotation and absolute shielding constants were determined combining ab initio and relativistic DFT calculations. For the heavy nuclei, the breakdown of the relationship between the spin–rotation constant and the paramagnetic contribution to the shielding constant, due to relativistic effects, causes a significant error in the total absolute shielding constants.

  2. Effectiveness of Bismuth Shield to Reduce Eye Lens Radiation Dose Using the Photoluminescence Dosimetry in Computed Tomography

    International Nuclear Information System (INIS)

    Jung, Mi Young; Kweon, Dae Cheol; Kwon, Soo Il

    2009-01-01

    The purpose of our study was to determine the eye radiation dose when performing routine multi-detector computed tomography (MDCT). We also evaluated dose reduction and the effect on image quality of using a bismuth eye shield when performing head MDCT. Examinations were performed with a 64MDCT scanner. To compare the shielded/unshielded lens dose, the examination was performed with and without bismuth shielding in anthropomorphic phantom. To determine the average lens radiation dose, we imaged an anthropomorphic phantom into which calibrated photoluminescence glass dosimeter (PLD) were placed to measure the dose to lens. The phantom was imaged using the same protocol. Radiation doses to the lens with and without the lens shielding were measured and compared using the Student t test. In the qualitative evaluation of the MDCT scans, all were considered to be of diagnostic quality. We did not see any differences in quality between the shielded and unshielded brain. The mean radiation doses to the eye with the shield and to those without the shield were 21.54 versus 10.46 mGy, respectively. The lens shield enabled a 51.3% decrease in radiation dose to the lens. Bismuth in-plane shielding for routine eye and head MDCT decreased radiation dose to the lens without qualitative changes in image quality. The other radiosensitive superficial organs specifically must be protected with shielding.

  3. Monteray Mark-I: Computer program (PC-version) for shielding calculation with Monte Carlo method

    International Nuclear Information System (INIS)

    Pudjijanto, M.S.; Akhmad, Y.R.

    1998-01-01

    A computer program for gamma ray shielding calculation using Monte Carlo method has been developed. The program is written in WATFOR77 language. The MONTERAY MARH-1 is originally developed by James Wood. The program was modified by the authors that the modified version is easily executed. Applying Monte Carlo method the program observe photon gamma transport in an infinity planar shielding with various thick. A photon gamma is observed till escape from the shielding or when its energy less than the cut off energy. Pair production process is treated as pure absorption process that annihilation photons generated in the process are neglected in the calculation. The out put data calculated by the program are total albedo, build-up factor, and photon spectra. The calculation result for build-up factor of a slab lead and water media with 6 MeV parallel beam gamma source shows that they are in agreement with published data. Hence the program is adequate as a shielding design tool for observing gamma radiation transport in various media

  4. Three-dimensional coupled Monte Carlo-discrete ordinates computational scheme for shielding calculations of large and complex nuclear facilities

    International Nuclear Information System (INIS)

    Chen, Y.; Fischer, U.

    2005-01-01

    Shielding calculations of advanced nuclear facilities such as accelerator based neutron sources or fusion devices of the tokamak type are complicated due to their complex geometries and their large dimensions, including bulk shields of several meters thickness. While the complexity of the geometry in the shielding calculation can be hardly handled by the discrete ordinates method, the deep penetration of radiation through bulk shields is a severe challenge for the Monte Carlo particle transport technique. This work proposes a dedicated computational scheme for coupled Monte Carlo-Discrete Ordinates transport calculations to handle this kind of shielding problems. The Monte Carlo technique is used to simulate the particle generation and transport in the target region with both complex geometry and reaction physics, and the discrete ordinates method is used to treat the deep penetration problem in the bulk shield. The coupling scheme has been implemented in a program system by loosely integrating the Monte Carlo transport code MCNP, the three-dimensional discrete ordinates code TORT and a newly developed coupling interface program for mapping process. Test calculations were performed with comparison to MCNP solutions. Satisfactory agreements were obtained between these two approaches. The program system has been chosen to treat the complicated shielding problem of the accelerator-based IFMIF neutron source. The successful application demonstrates that coupling scheme with the program system is a useful computational tool for the shielding analysis of complex and large nuclear facilities. (authors)

  5. Radiation Shielding Materials Containing Hydrogen, Boron, and Nitrogen: Systematic Computational and Experimental Study. Phase I

    Science.gov (United States)

    Thibeault, Sheila A.; Fay, Catharine C.; Lowther, Sharon E.; Earle, Kevin D.; Sauti, Godfrey; Kang, Jin Ho; Park, Cheol; McMullen, Amelia M.

    2012-01-01

    The key objectives of this study are to investigate, both computationally and experimentally, which forms, compositions, and layerings of hydrogen, boron, and nitrogen containing materials will offer the greatest shielding in the most structurally robust combination against galactic cosmic radiation (GCR), secondary neutrons, and solar energetic particles (SEP). The objectives and expected significance of this research are to develop a space radiation shielding materials system that has high efficacy for shielding radiation and that also has high strength for load bearing primary structures. Such a materials system does not yet exist. The boron nitride nanotube (BNNT) can theoretically be processed into structural BNNT and used for load bearing structures. Furthermore, the BNNT can be incorporated into high hydrogen polymers and the combination used as matrix reinforcement for structural composites. BNNT's molecular structure is attractive for hydrogen storage and hydrogenation. There are two methods or techniques for introducing hydrogen into BNNT: (1) hydrogen storage in BNNT, and (2) hydrogenation of BNNT (hydrogenated BNNT). In the hydrogen storage method, nanotubes are favored to store hydrogen over particles and sheets because they have much larger surface areas and higher hydrogen binding energy. The carbon nanotube (CNT) and BNNT have been studied as potentially outstanding hydrogen storage materials since 1997. Our study of hydrogen storage in BNNT - as a function of temperature, pressure, and hydrogen gas concentration - will be performed with a hydrogen storage chamber equipped with a hydrogen generator. The second method of introducing hydrogen into BNNT is hydrogenation of BNNT, where hydrogen is covalently bonded onto boron, nitrogen, or both. Hydrogenation of BN and BNNT has been studied theoretically. Hyper-hydrogenated BNNT has been theoretically predicted with hydrogen coverage up to 100% of the individual atoms. This is a higher hydrogen content

  6. Radiation Shielding Information Center: a source of computer codes and data for fusion neutronics studies

    International Nuclear Information System (INIS)

    McGill, B.L.; Roussin, R.W.; Trubey, D.K.; Maskewitz, B.F.

    1980-01-01

    The Radiation Shielding Information Center (RSIC), established in 1962 to collect, package, analyze, and disseminate information, computer codes, and data in the area of radiation transport related to fission, is now being utilized to support fusion neutronics technology. The major activities include: (1) answering technical inquiries on radiation transport problems, (2) collecting, packaging, testing, and disseminating computing technology and data libraries, and (3) reviewing literature and operating a computer-based information retrieval system containing material pertinent to radiation transport analysis. The computer codes emphasize methods for solving the Boltzmann equation such as the discrete ordinates and Monte Carlo techniques, both of which are widely used in fusion neutronics. The data packages include multigroup coupled neutron-gamma-ray cross sections and kerma coefficients, other nuclear data, and radiation transport benchmark problem results

  7. Development of a computer code for shielding calculation in X-ray facilities

    International Nuclear Information System (INIS)

    Borges, Diogo da S.; Lava, Deise D.; Affonso, Renato R.W.; Moreira, Maria de L.; Guimaraes, Antonio C.F.

    2014-01-01

    The construction of an effective barrier against the interaction of ionizing radiation present in X-ray rooms requires consideration of many variables. The methodology used for specifying the thickness of primary and secondary shielding of an traditional X-ray room considers the following factors: factor of use, occupational factor, distance between the source and the wall, workload, Kerma in the air and distance between the patient and the receptor. With these data it was possible the development of a computer program in order to identify and use variables in functions obtained through graphics regressions offered by NCRP Report-147 (Structural Shielding Design for Medical X-Ray Imaging Facilities) for the calculation of shielding of the room walls as well as the wall of the darkroom and adjacent areas. With the built methodology, a program validation is done through comparing results with a base case provided by that report. The thickness of the obtained values comprise various materials such as steel, wood and concrete. After validation is made an application in a real case of radiographic room. His visual construction is done with the help of software used in modeling of indoor and outdoor. The construction of barriers for calculating program resulted in a user-friendly tool for planning radiographic rooms to comply with the limits established by CNEN-NN-3:01 published in September / 2011

  8. Development of a computational code for calculations of shielding in dental facilities

    International Nuclear Information System (INIS)

    Lava, Deise D.; Borges, Diogo da S.; Affonso, Renato R.W.; Guimaraes, Antonio C.F.; Moreira, Maria de L.

    2014-01-01

    This paper is prepared in order to address calculations of shielding to minimize the interaction of patients with ionizing radiation and / or personnel. The work includes the use of protection report Radiation in Dental Medicine (NCRP-145 or Radiation Protection in Dentistry), which establishes calculations and standards to be adopted to ensure safety to those who may be exposed to ionizing radiation in dental facilities, according to the dose limits established by CNEN-NN-3.1 standard published in September / 2011. The methodology comprises the use of computer language for processing data provided by that report, and a commercial application used for creating residential projects and decoration. The FORTRAN language was adopted as a method for application to a real case. The result is a programming capable of returning data related to the thickness of material, such as steel, lead, wood, glass, plaster, acrylic, acrylic and leaded glass, which can be used for effective shielding against single or continuous pulse beams. Several variables are used to calculate the thickness of the shield, as: number of films used in the week, film load, use factor, occupational factor, distance between the wall and the source, transmission factor, workload, area definition, beam intensity, intraoral and panoramic exam. Before the application of the methodology is made a validation of results with examples provided by NCRP-145. The calculations redone from the examples provide answers consistent with the report

  9. A comparison of shielding calculation methods for multi-slice computed tomography (CT) systems

    International Nuclear Information System (INIS)

    Cole, J A; Platten, D J

    2008-01-01

    Currently in the UK, shielding calculations for computed tomography (CT) systems are based on the BIR-IPEM (British Institute of Radiology and Institute of Physics in Engineering in Medicine) working group publication from 2000. Concerns have been raised internationally regarding the accuracy of the dose plots on which this method depends and the effect that new scanner technologies may have. Additionally, more recent shielding methods have been proposed by the NCRP (National Council on Radiation Protection) from the USA. Thermoluminescent detectors (TLDs) were placed in three CT scanner rooms at different positions for several weeks before being processed. Patient workload and dose data (DLP: the dose length product and mAs: the tube current-time product) were collected for this period. Individual dose data were available for more than 95% of patients scanned and the remainder were estimated. The patient workload data were used to calculate expected scatter radiation for each TLD location by both the NCRP and BIR-IPEM methods. The results were then compared to the measured scattered radiation. Calculated scattered air kerma and the minimum required lead shielding were found to be frequently overestimated compared to the measured air kerma, on average almost five times the measured scattered air kerma.

  10. NMR and computational study of Ba8CuxGe46-x clathrate semiconductors

    International Nuclear Information System (INIS)

    Chen, Jing-Han; Sirusi Arvij, Ali; Zheng, Xiang; Rodriguez, Sergio Y.; Ross, Joseph H.

    2014-01-01

    Highlights: • Quadrupole NMR with first-principles calculations probes local site preferences. • Cu/Ge ratio is clarified vs. the ideal Zintl composition. • Modified Becke–Johnson exchange potential agrees well with NMR Knight shifts. - Abstract: Ba 8 Cu x Ge 46-x is a type-I clathrate material that forms as a semiconductor in a narrow composition range corresponding to the electron-balanced Zintl composition, with x = 5.3. We use NMR spectroscopy combined with ab initio electronic structure calculations to probe the electronic and structural behavior of these materials. Computational results based on a superstructure model for the atomic configuration of the alloy provide good agreement with the electric quadrupole-broadened NMR lineshapes. Modeling using the modified Becke–Johnson (TB-mBJ) exchange potential is also shown to agree well with experimental NMR Knight shifts. The results indicate that the Cu–Ge balance is the main factor determining the carrier density, within a narrow stability range near the ideal Zintl composition

  11. New Computational Approaches for NMR-based Drug Design: A Protocol for Ligand Docking to Flexible Target Sites

    International Nuclear Information System (INIS)

    Gracia, Luis; Speidel, Joshua A.; Weinstein, Harel

    2006-01-01

    NMR-based drug design has met with some success in the last decade, as illustrated in numerous instances by Fesik's ''ligand screening by NMR'' approach. Ongoing efforts to generalize this success have led us to the development of a new paradigm in which quantitative computational approaches are being integrated with NMR derived data and biological assays. The key component of this work is the inclusion of the intrinsic dynamic quality of NMR structures in theoretical models and its use in docking. A new computational protocol is introduced here, designed to dock small molecule ligands to flexible proteins derived from NMR structures. The algorithm makes use of a combination of simulated annealing monte carlo simulations (SA/MC) and a mean field potential informed by the NMR data. The new protocol is illustrated in the context of an ongoing project aimed at developing new selective inhibitors for the PCAF bromodomains that interact with HIV Tat

  12. ParShield: A computer program for calculating attenuation parameters of the gamma rays and the fast neutrons

    International Nuclear Information System (INIS)

    Elmahroug, Y.; Tellili, B.; Souga, C.; Manai, K.

    2015-01-01

    Highlights: • Description of the theoretical method used by the ParShield program. • Description of the ParShield program. • Test and validation the ParShield program. - Abstract: This study aims to present a new computer program called ParShield which determines the neutron and gamma-ray shielding parameters. This program can calculate the total mass attenuation coefficients (μ t ), the effective atomic numbers (Z eff ) and the effective electron densities (N eff ) for gamma rays and it can also calculate the effective removal cross-sections (Σ R ) for fast neutrons for mixtures and compounds. The results obtained for the gamma rays by using ParShield were compared with the results calculated by the WinXcom program and the measured results. The obtained values of (Σ R ) were tested by comparing them with the measured results,the manually calculated results and with the results obtained by using MERCSFN program and an excellent agreement was found between them. The ParShield program can be used as a fast and effective tool to choose and compare the shielding materials, especially for the determination of (Z eff ) and (N eff ), there is no other programs in the literature which can calculate

  13. Numerical analysis of boosting scheme for scalable NMR quantum computation

    International Nuclear Information System (INIS)

    SaiToh, Akira; Kitagawa, Masahiro

    2005-01-01

    Among initialization schemes for ensemble quantum computation beginning at thermal equilibrium, the scheme proposed by Schulman and Vazirani [in Proceedings of the 31st ACM Symposium on Theory of Computing (STOC'99) (ACM Press, New York, 1999), pp. 322-329] is known for the simple quantum circuit to redistribute the biases (polarizations) of qubits and small time complexity. However, our numerical simulation shows that the number of qubits initialized by the scheme is rather smaller than expected from the von Neumann entropy because of an increase in the sum of the binary entropies of individual qubits, which indicates a growth in the total classical correlation. This result--namely, that there is such a significant growth in the total binary entropy--disagrees with that of their analysis

  14. Utilizing of computational tools on the modelling of a simplified problem of neutron shielding

    Energy Technology Data Exchange (ETDEWEB)

    Lessa, Fabio da Silva Rangel; Platt, Gustavo Mendes; Alves Filho, Hermes [Universidade do Estado do Rio de Janeiro (UERJ), Nova Friburgo, RJ (Brazil). Inst. Politecnico]. E-mails: fsrlessa@gmail.com; gmplatt@iprj.uerj.br; halves@iprj.uerj.br

    2007-07-01

    In the current technology level, the investigation of several problems is studied through computational simulations whose results are in general satisfactory and much less expensive than the conventional forms of investigation (e.g., destructive tests, laboratory measures, etc.). Almost all of the modern scientific studies are executed using computational tools, as computers of superior capacity and their systems applications to make complex calculations, algorithmic iterations, etc. Besides the considerable economy in time and in space that the Computational Modelling provides, there is a financial economy to the scientists. The Computational Modelling is a modern methodology of investigation that asks for the theoretical study of the identified phenomena in the problem, a coherent mathematical representation of such phenomena, the generation of a numeric algorithmic system comprehensible for the computer, and finally the analysis of the acquired solution, or still getting use of pre-existent systems that facilitate the visualization of these results (editors of Cartesian graphs, for instance). In this work, was being intended to use many computational tools, implementation of numeric methods and a deterministic model in the study and analysis of a well known and simplified problem of nuclear engineering (the neutron transport), simulating a theoretical problem of neutron shielding with physical-material hypothetical parameters, of neutron flow in each space junction, programmed with Scilab version 4.0. (author)

  15. Utilizing of computational tools on the modelling of a simplified problem of neutron shielding

    International Nuclear Information System (INIS)

    Lessa, Fabio da Silva Rangel; Platt, Gustavo Mendes; Alves Filho, Hermes

    2007-01-01

    In the current technology level, the investigation of several problems is studied through computational simulations whose results are in general satisfactory and much less expensive than the conventional forms of investigation (e.g., destructive tests, laboratory measures, etc.). Almost all of the modern scientific studies are executed using computational tools, as computers of superior capacity and their systems applications to make complex calculations, algorithmic iterations, etc. Besides the considerable economy in time and in space that the Computational Modelling provides, there is a financial economy to the scientists. The Computational Modelling is a modern methodology of investigation that asks for the theoretical study of the identified phenomena in the problem, a coherent mathematical representation of such phenomena, the generation of a numeric algorithmic system comprehensible for the computer, and finally the analysis of the acquired solution, or still getting use of pre-existent systems that facilitate the visualization of these results (editors of Cartesian graphs, for instance). In this work, was being intended to use many computational tools, implementation of numeric methods and a deterministic model in the study and analysis of a well known and simplified problem of nuclear engineering (the neutron transport), simulating a theoretical problem of neutron shielding with physical-material hypothetical parameters, of neutron flow in each space junction, programmed with Scilab version 4.0. (author)

  16. Development of point Kernel radiation shielding analysis computer program implementing recent nuclear data and graphic user interfaces

    International Nuclear Information System (INIS)

    Kang, S.; Lee, S.; Chung, C.

    2002-01-01

    There is an increasing demand for safe and efficient use of radiation and radioactive work activity along with shielding analysis as a result the number of nuclear and conventional facilities using radiation or radioisotope rises. Most Korean industries and research institutes including Korea Power Engineering Company (KOPEC) have been using foreign computer programs for radiation shielding analysis. Korean nuclear regulations have introduced new laws regarding the dose limits and radiological guides as prescribed in the ICRP 60. Thus, the radiation facilities should be designed and operated to comply with these new regulations. In addition, the previous point kernel shielding computer code utilizes antiquated nuclear data (mass attenuation coefficient, buildup factor, etc) which were developed in 1950∼1960. Subsequently, the various nuclear data such mass attenuation coefficient, buildup factor, etc. have been updated during the past few decades. KOPEC's strategic directive is to become a self-sufficient and independent nuclear design technology company, thus KOPEC decided to develop a new radiation shielding computer program that included the latest regulatory requirements and updated nuclear data. This new code was designed by KOPEC with developmental cooperation with Hanyang University, Department of Nuclear Engineering. VisualShield is designed with a graphical user interface to allow even users unfamiliar to radiation shielding theory to proficiently prepare input data sets and analyzing output results

  17. Abstracts of digital computer code packages assembled by the Radiation Shielding Information Center

    Energy Technology Data Exchange (ETDEWEB)

    Carter, B.J.; Maskewitz, B.F.

    1985-04-01

    This publication, ORNL/RSIC-13, Volumes I to III Revised, has resulted from an internal audit of the first 168 packages of computing technology in the Computer Codes Collection (CCC) of the Radiation Shielding Information Center (RSIC). It replaces the earlier three documents published as single volumes between 1966 to 1972. A significant number of the early code packages were considered to be obsolete and were removed from the collection in the audit process and the CCC numbers were not reassigned. Others not currently being used by the nuclear R and D community were retained in the collection to preserve technology not replaced by newer methods, or were considered of potential value for reference purposes. Much of the early technology, however, has improved through developer/RSIC/user interaction and continues at the forefront of the advancing state-of-the-art.

  18. Abstracts of digital computer code packages assembled by the Radiation Shielding Information Center

    International Nuclear Information System (INIS)

    Carter, B.J.; Maskewitz, B.F.

    1985-04-01

    This publication, ORNL/RSIC-13, Volumes I to III Revised, has resulted from an internal audit of the first 168 packages of computing technology in the Computer Codes Collection (CCC) of the Radiation Shielding Information Center (RSIC). It replaces the earlier three documents published as single volumes between 1966 to 1972. A significant number of the early code packages were considered to be obsolete and were removed from the collection in the audit process and the CCC numbers were not reassigned. Others not currently being used by the nuclear R and D community were retained in the collection to preserve technology not replaced by newer methods, or were considered of potential value for reference purposes. Much of the early technology, however, has improved through developer/RSIC/user interaction and continues at the forefront of the advancing state-of-the-art

  19. A new practical model of testes shield: the effectiveness during abdominopelvic computed tomography.

    Science.gov (United States)

    Sancaktutar, Ahmet Ali; Bozkurt, Yaşar; Önder, Hakan; Söylemez, Haluk; Atar, Murat; Penbegül, Necmettin; Ziypak, Tevfik; Tekbaş, Güven; Tepeler, Abdülkadir

    2012-01-01

    The goal of our prospective study was to measure the effect of a new standard model male gonad shield on the testicular radiation exposure during routine abdominopelvic computed tomography (CT). Two hundred male patients who underwent upper abdominal and pelvic CT examinations were included in our study. To prepare the testes shield (TS), 2 No. 8 fluoroscopy radiation-protection gloves made of bismuth (0.35 mm lead equivalent) were used. These gloves were invaginated into one another and their fingers were turned inside out. Scrotums of all patients were pushed into these lead-containing gloves. Upper abdominal CT (n = 6), pelvic CT (n = 9), and abdominopelvic scanning (n = 185) were performed. Immediately after the CT examinations and at postprocedural day 1, the scrotal examinations were repeated. None of the patients exhibited scrotal laceration, edema, eruption, erythema, tenderness, or pain. During the CT examinations, 22 patients (11%) felt unrest because of their exposed genital regions, without any adverse effect on the procedure. Dosimetric measurements of radioactivity inside the TS (dosimeter I) and outside it (dosimeter II) were 6.8 and 69.00 mSv, respectively. Accordingly, the TS we used in our study reduced the radiation exposure of the testes by 90.2% (10.1 times). We think that the use of this radioprotective TS during radiological diagnostic and therapeutic procedures is an appropriate approach from both a medical and legal perspective. Therefore, we recommend this userfriendly, practical, low-cost, and effective TS for all radiologic procedures.

  20. Radiation Shielding Materials Containing Hydrogen, Boron, and Nitrogen: Systematic Computational and Experimental Study

    Data.gov (United States)

    National Aeronautics and Space Administration — The objectives of the proposed research are to develop a space radiation shielding material system that has high efficacy for shielding radiation and also has high...

  1. Computer-aided structure analysis. Structure identification by infrared and /sup 13/C NMR measurements

    Energy Technology Data Exchange (ETDEWEB)

    Szalontai, G; Simon, Z; Csapo, Z; Farkas, M; Pfeifer, Gy [Nehezvegyipari Kutato Intezet, Veszprem (Hungary)

    1980-01-01

    The results obtained from the computer-aided interpretation of /sup 13/C NMR and IR spectra using the artificial intelligence approach are presented. In its present state the output of the system is a list of functional groups which are resonable candidates for the final structural isomers. The input requires empirical formula, /sup 13/C NMR data (off resonance data also) and IR spectral data. The confirmation of the presence of a functional group is based on comparison of the experimental data with the spectral properties of functional groups stored in a property matrix. If the molecular weight of the compounds studied is less or equal 500, the output contains usually 1.5-2.5 times more groups than really present, in most cases without the loss of the real ones.

  2. A phantom-based evaluation of three commercially available patient organ shields for computed tomography X-ray examinations in diagnostic radiology

    International Nuclear Information System (INIS)

    Huggett, J.; Mukonoweshuro, W.; Loader, R.

    2013-01-01

    Three commercially available in-plane patient organ shields (barium eye, bismuth eye and bismuth breast) for computed tomography (CT) examinations were evaluated to determine their effectiveness for dose reduction. Absorbed doses were measured using metal oxide semiconductor field effect transistor dosemeters fastened to a Kyoto CT Torso phantom. Resultant images were visually compared with those minus shielding by an experienced radiologist. Approximate dose reductions of 21, 38 and 50 % were achieved by the barium eye, bismuth eye and bismuth breast shields, respectively, at a cost of increased image noise and streak artefacts. Shielded images produced varied levels of image artefact, particularly those resulting from the eye shields. Measured dose reductions were not consistent with the potential dose savings stated by the manufacturers of the shields. When evaluating the breast shield, similar dose reduction was achieved without shield-induced artefact by simply reducing the X-ray tube current. (authors)

  3. Ab initio computational study of vincristine as a biological active compound: NMR and NBO analyses

    Directory of Open Access Journals (Sweden)

    Shiva Joohari

    2015-06-01

    Full Text Available Vincristine is a biological active alkaloid that has been used clinically against a variety of neoplasms. In the current study we have theoretically investigated the magnetic properties of titled compound to predict physical and chemical properties of vincristine as a biological inhibitor. Ab initio computation using HF and B3LYP with 3-21G(d and 6-31G(d level of theory have been performed and then magnetic shielding tensor (, ppm, shielding asymmetry (, magnetic shielding anisotropy (aniso, ppm, the skew of a tensor (K, chemical shift anisotropy ( and chemical shift ( were calculated to indicate the details of the interaction mechanism between microtubules and vincristine. Moreover, EHOMO, ELUMO and Ebg were evaluated. The maximum and minimum values of Ebg were found in HF/3-21g and B3LYP/3-21g respectively. It was also uggested that O24, O37, O49 and O55 with minimum values of iso, are active sites of titled compound. Furthermore the calculated chemical shifts were compared with experimental data in DMSO and CDCl3 solvents.

  4. Shielding benchmark problems

    International Nuclear Information System (INIS)

    Tanaka, Shun-ichi; Sasamoto, Nobuo; Oka, Yoshiaki; Kawai, Masayoshi; Nakazawa, Masaharu.

    1978-09-01

    Shielding benchmark problems were prepared by the Working Group of Assessment of Shielding Experiments in the Research Comittee on Shielding Design of the Atomic Energy Society of Japan, and compiled by the Shielding Laboratory of Japan Atomic Energy Research Institute. Twenty-one kinds of shielding benchmark problems are presented for evaluating the calculational algorithm and the accuracy of computer codes based on the discrete ordinates method and the Monte Carlo method and for evaluating the nuclear data used in the codes. (author)

  5. A new shielding calculation method for X-ray computed tomography regarding scattered radiation.

    Science.gov (United States)

    Watanabe, Hiroshi; Noto, Kimiya; Shohji, Tomokazu; Ogawa, Yasuyoshi; Fujibuchi, Toshioh; Yamaguchi, Ichiro; Hiraki, Hitoshi; Kida, Tetsuo; Sasanuma, Kazutoshi; Katsunuma, Yasushi; Nakano, Takurou; Horitsugi, Genki; Hosono, Makoto

    2017-06-01

    The goal of this study is to develop a more appropriate shielding calculation method for computed tomography (CT) in comparison with the Japanese conventional (JC) method and the National Council on Radiation Protection and Measurements (NCRP)-dose length product (DLP) method. Scattered dose distributions were measured in a CT room with 18 scanners (16 scanners in the case of the JC method) for one week during routine clinical use. The radiation doses were calculated for the same period using the JC and NCRP-DLP methods. The mean (NCRP-DLP-calculated dose)/(measured dose) ratios in each direction ranged from 1.7 ± 0.6 to 55 ± 24 (mean ± standard deviation). The NCRP-DLP method underestimated the dose at 3.4% in fewer shielding directions without the gantry and a subject, and the minimum (NCRP-DLP-calculated dose)/(measured dose) ratio was 0.6. The reduction factors were 0.036 ± 0.014 and 0.24 ± 0.061 for the gantry and couch directions, respectively. The (JC-calculated dose)/(measured dose) ratios ranged from 11 ± 8.7 to 404 ± 340. The air kerma scatter factor κ is expected to be twice as high as that calculated with the NCRP-DLP method and the reduction factors are expected to be 0.1 and 0.4 for the gantry and couch directions, respectively. We, therefore, propose a more appropriate method, the Japanese-DLP method, which resolves the issues of possible underestimation of the scattered radiation and overestimation of the reduction factors in the gantry and couch directions.

  6. Implementation and display of Computer Aided Design (CAD) models in Monte Carlo radiation transport and shielding applications

    International Nuclear Information System (INIS)

    Burns, T.J.

    1994-01-01

    An Xwindow application capable of importing geometric information directly from two Computer Aided Design (CAD) based formats for use in radiation transport and shielding analyses is being developed at ORNL. The application permits the user to graphically view the geometric models imported from the two formats for verification and debugging. Previous models, specifically formatted for the radiation transport and shielding codes can also be imported. Required extensions to the existing combinatorial geometry analysis routines are discussed. Examples illustrating the various options and features which will be implemented in the application are presented. The use of the application as a visualization tool for the output of the radiation transport codes is also discussed

  7. Multi-objective optimization of a compact pressurized water nuclear reactor computational model for biological shielding design using innovative materials

    Energy Technology Data Exchange (ETDEWEB)

    Tunes, M.A., E-mail: matheus.tunes@usp.br [Department of Metallurgical and Materials Engineering, Escola Politécnica da Universidade de São Paulo, Av. Prof. Mello Moraes, 2463 – CEP 05508 – 030 São Paulo (Brazil); Oliveira, C.R.E. de, E-mail: cassiano@unm.edu [Department of Nuclear Engineering, The University of New Mexico, Farris Engineering Center, 221, Albuquerque, NM 87131-1070 (United States); Schön, C.G., E-mail: schoen@usp.br [Department of Metallurgical and Materials Engineering, Escola Politécnica da Universidade de São Paulo, Av. Prof. Mello Moraes, 2463 – CEP 05508 – 030 São Paulo (Brazil)

    2017-03-15

    Highlights: • Use of two n-γ transport codes leads to optimized model of compact nuclear reactor. • It was possible to safely reduce both weight and volume of the biological shielding. • Best configuration obtained by using new composites for both γ and n attenuation. - Abstract: The aim of the present work is to develop a computational model of a compact pressurized water nuclear reactor (PWR) to investigate the use of innovative materials to enhance the biological shielding effectiveness. Two radiation transport codes were used: the first one – MCNP – for the PWR design and the GEM/EVENT to simulate (in a 1D slab) the behavior of several materials and shielding thickness on gamma and neutron radiation. Additionally MATLAB Optimization Toolbox was used to provide new geometric configurations of the slab aiming at reducing the volume and weight of the walls by means of a cost/objective function. It is demonstrated in the reactor model that the dose rate outside biological shielding has been reduced by one order of magnitude for the optimized model compared with the initial configuration. Volume and weight of the shielding walls were also reduced. The results indicated that one-dimensional deterministic code to reach an optimized geometry and test materials, combined with a three-dimensional model of a compact nuclear reactor in a stochastic code, is a fast and efficient procedure to test shielding performance and optimization before the experimental assessment. A major outcome of this research is that composite materials (ECOMASS 2150TU96) may replace (with advantages) traditional shielding materials without jeopardizing the nuclear power plant safety assurance.

  8. Radiation transport and shielding information, computer codes, and nuclear data for use in CTR neutronics research and development

    International Nuclear Information System (INIS)

    Santoro, R.T.; Maskewitz, B.F.; Roussin, R.W.; Trubey, D.K.

    1976-01-01

    The activities of the Radiation Shielding Information Center (RSIC) of the Oak Ridge National Laboratory are being utilized in support of fusion reactor technology. The major activities of RSIC include the operation of a computer-based information storage and retrieval system, the collection, packaging, and distribution of large computer codes, and the compilation and dissemination of processed and evaluated data libraries, with particular emphasis on neutron and gamma-ray cross-section data. The Center has acquired thirteen years of experience in serving fission reactor, weapons, and accelerator shielding research communities, and the extension of its technical base to fusion reactor research represents a logical progression. RSIC is currently working with fusion reactor researchers and contractors in computer code development to provide tested radiation transport and shielding codes and data library packages. Of significant interest to the CTR community are the 100 energy group neutron and 21 energy group gamma-ray coupled cross-section data package (DLC-37) for neutronics studies, a comprehensive 171 energy group neutron and 36 energy group gamma-ray coupled cross-section data base with retrieval programs, including resonance self-shielding, that are tailored to CTR application, and a data base for the generation of energy-dependent atomic displacement and gas production cross sections and heavy-particle-recoil spectra for estimating radiation damage to CTR structural components

  9. Computational models for electromagnetic transients in ITER vacuum vessel, cryostat and thermal shield

    International Nuclear Information System (INIS)

    Alekseev, A.; Arslanova, D.; Belov, A.; Belyakov, V.; Gapionok, E.; Gornikel, I.; Gribov, Y.; Ioki, K.; Kukhtin, V.; Lamzin, E.; Sugihara, M.; Sychevsky, S.; Terasawa, A.; Utin, Y.

    2013-01-01

    A set of detailed computational models are reviewed that covers integrally the system “vacuum vessel (VV), cryostat, and thermal shields (TS)” to study transient electromagnetics (EMs) in the ITER machine. The models have been developed in the course of activities requested and supervised by the ITER Organization. EM analysis is enabled for all ITER operational scenarios. The input data are derived from results of DINA code simulations. The external EM fields are modeled accurate to the input data description. The known magnetic shell approach can be effectively applied to simulate thin-walled structures of the ITER machine. Using an integral–differential formulation, a single unknown is determined within the shells in terms of the vector electric potential taken only at the nodes of a finite-element (FE) mesh of the conducting structures. As a result, the FE mesh encompasses only the system “VV + Cryostat + TS”. The 3D model requires much higher computational resources as compared to a shell model based on the equivalent approximation. The shell models have been developed for all principal conducting structures in the system “VV + Cryostat + TS” including regular ports and neutral beam ports. The structures are described in details in accordance with the latest design. The models have also been applied for simulations of EM transients in components of diagnostic systems and cryopumps and estimation of the 3D effects of the ITER structures on the plasma performance. The developed models have been elaborated and applied for the last 15 years to support the ITER design activities. The finalization of the ITER VV design enables this set of models to be considered ready to use in plasma-physics computations and the development of ITER simulators

  10. Radiation shielding lead shield

    International Nuclear Information System (INIS)

    Dei, Shoichi.

    1991-01-01

    The present invention concerns lead shields for radiation shielding. Shield boxes are disposed so as to surround a pipeline through which radioactive liquids, mists or like other objects are passed. Flanges are formed to each of the end edges of the shield boxes and the shield boxes are connected to each other by the flanges. Upon installation, empty shield boxes not charged with lead particles and iron plate shields are secured at first at the periphery of the pipeline. Then, lead particles are charged into the shield boxes. This attains a state as if lead plate corresponding to the depth of the box is disposed. Accordingly, operations for installation, dismantling and restoration can be conducted in an empty state with reduced weight to facilitate the operations. (I.S.)

  11. Comparison of the computational NMR chemical shifts of choline with the experimental data

    International Nuclear Information System (INIS)

    Alcorn, C; Cuperlovic-Culf, M; Ghandi, K

    2012-01-01

    One of the main biological markers of the presence of cancer in living patients is an over-expression of total choline (tCho), which is the sum of free choline and its derivatives. 1 H Magnetic Resonance Spectroscopy, or H-MRS, enables the quantification of tCho via its proton spectra, and thus has the potential to be a diagnostic tool for the presence of cancer and an accurate early indicator of the response of cancer to treatment. However, it remains difficult to quantify individual choline derivatives, since they share a large structural similarity ((CH 3 ) 3 -N + -CH 2 -CH 2 -O-), of which the strongest signal detectable by MRS is that of the choline h ead group : the three methyl groups bonded to the nitrogen. This work used ACENet, a high performance computing system, to attempt to model the NMR parameters of choline derivatives, with the focus of this report being free choline. Optimized structures were determined using Density Functional Theory and the B3LYP electron correlation functional. The Polarizable Continuum Model was used to evaluate solvent effects. The Gauge-Invariant Atomic Orbital method was found to be the superior method for calculating the NMR parameters of cholines.

  12. Radiation transport and shielding information, computer codes, and nuclear data for use in CTR neutronics research and development

    International Nuclear Information System (INIS)

    Santoro, R.T.; Maskewitz, B.F.; Roussin, R.W.; Trubey, D.K.

    1976-01-01

    The activities of the Radiation Shielding Information Center (RSIC) of the Oak Ridge National Laboratory are being utilized in support of fusion reactor technology. The major activities of RSIC include the operation of a computer-based information storage and retrieval system, the collection, packaging, and distribution of large computer codes, and the compilation and dissemination of processed and evaluated data libraries, with particular emphasis on neutron and gamma-ray cross-section data. The Center has acquired thirteen years of experience in serving fission reactor, weapons, and accelerator shielding research communities, and the extension of its technical base to fusion reactor research represents a logical progression. RSIC is currently working with fusion reactor researchers and contractors in computer code development to provide tested radiation transport and shielding codes and data library packages. Of significant interest to the CTR community are the 100 energy group neutron and 21 energy group gamma-ray coupled cross-section data package (DLC-37) for neutronics studies, a comprehensive 171 energy group neutron and 36 energy group gamma-ray coupled cross-section data base with retrieval programs, including resonance self-shielding, that are tailored to CTR application, and a data base for the generation of energy-dependent atomic displacement and gas production cross sections and heavy-particle-recoil spectra for estimating radiation damage to CTR structural components. Since 1964, the Center has been involved in the international exchange of information, encouraged and supported by both government and interagency agreements; and to achieve an equally viable and successful program in fusion research, the reciprocal exchange of CTR data and computing technology is encouraged and welcomed

  13. Assessment of the integrity of structural shielding of four computed tomography facilities in the greater Accra region of Ghana

    International Nuclear Information System (INIS)

    Nkansah, A.; Schandorf, C.; Boadu, M.; Fletcher, J. J.

    2013-01-01

    The structural shielding thicknesses of the walls of four computed tomography (CT) facilities in Ghana were re-evaluated to verify the shielding integrity using the new shielding design methods recommended by the National Council on Radiological Protection and Measurements (NCRP). The shielding thickness obtained ranged from 120 to 155 mm using default DLP values proposed by the European Commission and 110 to 168 mm using derived DLP values from the four CT manufacturers. These values are within the accepted standard concrete wall thickness ranging from 102 to 152 mm prescribed by the NCRP. The ultrasonic pulse testing of all walls indicated that these are of good quality and free of voids since pulse velocities estimated were within the range of 3.496±0.005 km s -1 . An average dose equivalent rate estimated for supervised areas is 3.4±0.27 μSv week -1 and that for the controlled area is 18.0±0.15 μSv week -1 , which are within acceptable values. (authors)

  14. Design of emergency shield

    International Nuclear Information System (INIS)

    Soliman, S.E.

    1993-01-01

    Manufacturing of an emergency movable shield in the hot laboratories center is urgently needed for the safety of personnel in case of accidents or spilling of radioactive materials. In this report, a full design for an emergency shield is presented and the corresponding dose rates behind the shield for different activities (from 1 mCi to 5 Ci) was calculated by using micro shield computer code. 4 figs., 1 tab

  15. Modelling and computer simulation for the manufacture by powder HIPing of Blanket Shield components for ITER

    International Nuclear Information System (INIS)

    Gillia, O.; Bucci, Ph.; Vidotto, F.; Leibold, J.-M.; Boireau, B.; Boudot, C.; Cottin, A.; Lorenzetto, P.; Jacquinot, F.

    2006-01-01

    In components of blanket modules for ITER, intricate cooling networks are needed in order to evacuate all heat coming from the plasma. Hot Isostatic Pressing (HIPing) technology is a very convenient method to produce near net shape components with complex cooling network through massive stainless steel parts by bonding together tubes inserted in grooves machined in bulk stainless steel. Powder is often included in the process so as to release difficulties arising with gaps closure between tube and solid part or between several solid parts. In the mean time, it releases the machining precision needed on the parts to assemble before HIP. However, inserting powder in the assembly means densification, i.e. volume change of powder during the HIP cycle. This leads to global and local shape changes of HIPed parts. In order to control the deformations, modelling and computer simulation are used. This modelling and computer simulation work has been done in support to the fabrication of a shield prototype for the ITER blanket. Problems such as global bending of the whole part and deformations of tubes in their powder bed are addressed. It is important that the part does not bend too much. It is important as well to have circular tube shape after HIP, firstly in order to avoid their rupture during HIP but also because non destructive ultrasonic examination is needed to check the quality of the densification and bonding between tube and powder or solid parts; the insertions of a probe in the tubes requires a minimal circular tube shape. For simulation purposes, the behaviour of the different materials has to be modelled. Although the modelling of the massive stainless steel behaviour is not neglected, the most critical modelling is about power. For this study, a thorough investigation on the powder behaviour has been performed with some in-situ HIP dilatometry experiments and some interrupted HIP cycles on trial parts. These experiments have allowed the identification of a

  16. Evaluation of the computer code system RADHEAT-V4 by analysing benchmark problems on radiation shielding

    International Nuclear Information System (INIS)

    Sakamoto, Yukio; Naito, Yoshitaka

    1990-11-01

    A computer code system RADHEAT-V4 has been developed for safety evaluation on radiation shielding of nuclear fuel facilities. To evaluate the performance of the code system, 18 benchmark problem were selected and analysed. Evaluated radiations are neutron and gamma-ray. Benchmark problems consist of penetration, streaming and skyshine. The computed results show more accurate than those by the Sn codes ANISN and DOT3.5 or the Monte Carlo code MORSE. Big core memory and many times I/O are, however, required for RADHEAT-V4. (author)

  17. Development of a computer code for determining the thickness of shielding used in cardiac angiography techniques

    International Nuclear Information System (INIS)

    Lava, Deise D.; Borges, Diogo da S.; Affonso, Renato R.W.; Moreira, Maria de L.; Guimaraes, Antonio C.F.

    2014-01-01

    The construction of an effective shielding against the interaction of ionizing radiation in X-ray rooms requires consideration of many variables. The methodology used for specification of a primary and secondary shielding thickness of a X-ray room considers the following factors: use factor, occupational factor, distance between the source and the wall, workload, Kerma in the air and distance between the patient and the receptor. The program built from this data, has the objective of identifying and using variables in functions obtained through linear regressions of graphics offered by NCRP Report-147 (Structural Shielding Design for Medical X-Ray Imaging Facilities) for the shielding calculation of the room walls as wall dark room and adjacent areas. With the methodology constructed a program validation is done by comparison of results with a base case provided by that report. The values of the thicknesses obtained comprise various materials such as steel, wood and concrete. Once validated an application is made in a real case of X-ray room. His visual construction is done with the help of software used in modeling of interiors and exteriors. The construction of shielding calculating program has the goal of being an easy tool for planning of X-ray rooms in order to meet the established limits by CNEN-NN-3:01 published in September 2011

  18. COMPUTATIONAL FLUID DYNAMICS INVESTIGATION ON THE USE OF HEAT SHIELDS FOR THERMAL MANAGEMENT IN A CAR UNDERHOOD

    Directory of Open Access Journals (Sweden)

    S.Y. Lam

    2012-12-01

    Full Text Available Temperature variations inside a car underhood are largely controlled by the heat originating from the engine block and the exhaust manifold. Excessive temperatures in the underhood can lead to the faster deterioration of engine components and may affect the thermal comfort level inside the passenger cabin. This paper presents computational fluid dynamics investigations to assess the performance of a heat shield in lowering the peak temperature of the engine components and firewall in the underhood region of a typical passenger car. The simulation used the finite volume method with the standard k-ε turbulence model and an isothermal model for the heat transfer calculations. The results show that the heat shield managed to reduce the peak temperature of the engine components and firewall by insulating the intense heat from the engine block and exhaust and regulating the airflow inside the underhood region.

  19. Relativistic force field: parametric computations of proton-proton coupling constants in (1)H NMR spectra.

    Science.gov (United States)

    Kutateladze, Andrei G; Mukhina, Olga A

    2014-09-05

    Spin-spin coupling constants in (1)H NMR carry a wealth of structural information and offer a powerful tool for deciphering molecular structures. However, accurate ab initio or DFT calculations of spin-spin coupling constants have been very challenging and expensive. Scaling of (easy) Fermi contacts, fc, especially in the context of recent findings by Bally and Rablen (Bally, T.; Rablen, P. R. J. Org. Chem. 2011, 76, 4818), offers a framework for achieving practical evaluation of spin-spin coupling constants. We report a faster and more precise parametrization approach utilizing a new basis set for hydrogen atoms optimized in conjunction with (i) inexpensive B3LYP/6-31G(d) molecular geometries, (ii) inexpensive 4-31G basis set for carbon atoms in fc calculations, and (iii) individual parametrization for different atom types/hybridizations, not unlike a force field in molecular mechanics, but designed for the fc's. With the training set of 608 experimental constants we achieved rmsd <0.19 Hz. The methodology performs very well as we illustrate with a set of complex organic natural products, including strychnine (rmsd 0.19 Hz), morphine (rmsd 0.24 Hz), etc. This precision is achieved with much shorter computational times: accurate spin-spin coupling constants for the two conformers of strychnine were computed in parallel on two 16-core nodes of a Linux cluster within 10 min.

  20. NMR and computational study of Ba{sub 8}Cu{sub x}Ge{sub 46-x} clathrate semiconductors

    Energy Technology Data Exchange (ETDEWEB)

    Chen, Jing-Han, E-mail: jhchen@tamu.edu; Sirusi Arvij, Ali; Zheng, Xiang; Rodriguez, Sergio Y.; Ross, Joseph H.

    2014-04-01

    Highlights: • Quadrupole NMR with first-principles calculations probes local site preferences. • Cu/Ge ratio is clarified vs. the ideal Zintl composition. • Modified Becke–Johnson exchange potential agrees well with NMR Knight shifts. - Abstract: Ba{sub 8}Cu{sub x}Ge{sub 46-x} is a type-I clathrate material that forms as a semiconductor in a narrow composition range corresponding to the electron-balanced Zintl composition, with x = 5.3. We use NMR spectroscopy combined with ab initio electronic structure calculations to probe the electronic and structural behavior of these materials. Computational results based on a superstructure model for the atomic configuration of the alloy provide good agreement with the electric quadrupole-broadened NMR lineshapes. Modeling using the modified Becke–Johnson (TB-mBJ) exchange potential is also shown to agree well with experimental NMR Knight shifts. The results indicate that the Cu–Ge balance is the main factor determining the carrier density, within a narrow stability range near the ideal Zintl composition.

  1. Sensitivity of ab Initio vs Empirical Methods in Computing Structural Effects on NMR Chemical Shifts for the Example of Peptides.

    Science.gov (United States)

    Sumowski, Chris Vanessa; Hanni, Matti; Schweizer, Sabine; Ochsenfeld, Christian

    2014-01-14

    The structural sensitivity of NMR chemical shifts as computed by quantum chemical methods is compared to a variety of empirical approaches for the example of a prototypical peptide, the 38-residue kaliotoxin KTX comprising 573 atoms. Despite the simplicity of empirical chemical shift prediction programs, the agreement with experimental results is rather good, underlining their usefulness. However, we show in our present work that they are highly insensitive to structural changes, which renders their use for validating predicted structures questionable. In contrast, quantum chemical methods show the expected high sensitivity to structural and electronic changes. This appears to be independent of the quantum chemical approach or the inclusion of solvent effects. For the latter, explicit solvent simulations with increasing number of snapshots were performed for two conformers of an eight amino acid sequence. In conclusion, the empirical approaches neither provide the expected magnitude nor the patterns of NMR chemical shifts determined by the clearly more costly ab initio methods upon structural changes. This restricts the use of empirical prediction programs in studies where peptide and protein structures are utilized for the NMR chemical shift evaluation such as in NMR refinement processes, structural model verifications, or calculations of NMR nuclear spin relaxation rates.

  2. Assessment of the structural shielding integrity of some selected computed tomography facilities in the Greater Accra Region of Ghana

    International Nuclear Information System (INIS)

    Nkansah, A.

    2010-01-01

    The structural shielding integrity was assessed for four of the CT facilities at Trust Hospital, Korle-Bu Teaching Hospital, the 37 Military Hospital and Medical Imaging Ghana Ltd. in the Greater Accra Region of Ghana. From the shielding calculations, the concrete wall thickness computed are 120, 145, 140 and 155mm, for Medical Imaging Ghana Ltd. 37 Military, Trust Hospital and Korle-Bu Teaching Hospital respectively using Default DLP values. The wall thickness using Derived DLP values are 110, 110, 120 and 168mm for Medical Imaging Ghana Ltd, 37 Military Hospital, Trust Hospital and Korle-Bu Teaching Hospital respectively. These values are within the accepted standard concrete thickness of 102- 152mm prescribed by the National Council of Radiological Protection and measurement. The ultrasonic pulse testing indicated that all the sandcrete walls are of good quality and free of voids since pulse velocities estimated were approximately equal to 3.45km/s. an average dose rate measurement for supervised areas is 3.4 μSv/wk and controlled areas is 18.0 μSv/wk. These dose rates were below the acceptable levels of 100 μSv per week for the occupationally exposed and 20 μSv per week for members of the public provided by the ICRU. The results mean that the structural shielding thickness are adequate to protect members of the public and occupationally exposed workers (au).

  3. Shielding benchmark problems, (2)

    International Nuclear Information System (INIS)

    Tanaka, Shun-ichi; Sasamoto, Nobuo; Oka, Yoshiaki; Shin, Kazuo; Tada, Keiko.

    1980-02-01

    Shielding benchmark problems prepared by Working Group of Assessment of Shielding Experiments in the Research Committee on Shielding Design in the Atomic Energy Society of Japan were compiled by Shielding Laboratory in Japan Atomic Energy Research Institute. Fourteen shielding benchmark problems are presented newly in addition to twenty-one problems proposed already, for evaluating the calculational algorithm and accuracy of computer codes based on discrete ordinates method and Monte Carlo method and for evaluating the nuclear data used in codes. The present benchmark problems are principally for investigating the backscattering and the streaming of neutrons and gamma rays in two- and three-dimensional configurations. (author)

  4. Quantitative assessment of selective in-plane shielding of tissues in computed tomography through evaluation of absorbed dose and image quality

    International Nuclear Information System (INIS)

    Geleijns, J.; Veldkamp, W.J.H.; Salvado Artells, M.; Lopez Tortosa, M.; Calzado Cantera, A.

    2006-01-01

    This study aimed at assessment of efficacy of selective in-plane shielding in adults by quantitative evaluation of the achieved dose reduction and image quality. Commercially available accessories for in-plane shielding of the eye lens, thyroid and breast, and an anthropomorphic phantom were used for the evaluation of absorbed dose and image quality. Organ dose and total energy imparted were assessed by means of a Monte Carlo technique taking into account tube voltage, tube current, and scanner type. Image quality was quantified as noise in soft tissue. Application of the lens shield reduced dose to the lens by 27% and to the brain by 1%. The thyroid shield reduced thyroid dose by 26%; the breast shield reduced dose to the breasts by 30% and to the lungs by 15%. Total energy imparted (unshielded/shielded) was 88/86 mJ for computed tomography (CT) brain, 64/60 mJ for CT cervical spine, and 289/260 mJ for CT chest scanning. An increase in image noise could be observed in the ranges were bismuth shielding was applied. The observed reduction of organ dose and total energy imparted could be achieved more efficiently by a reduction of tube current. The application of in-plane selective shielding is therefore discouraged. (orig.)

  5. Nuclear Magnetic Shielding of Monoboranes: Calculation and Assessment of B-11 NMR Chemical Shifts in Planar BX3 and in Tetrahedral [BX4](-) Systems

    Czech Academy of Sciences Publication Activity Database

    Macháček, Jan; Bühl, M.; Fanfrlík, Jindřich; Hnyk, Drahomír

    2017-01-01

    Roč. 121, č. 50 (2017), s. 9631-9637 ISSN 1089-5639 R&D Projects: GA ČR(CZ) GA17-08045S Institutional support: RVO:61388980 ; RVO:61388963 Keywords : Electrostatic potentials * Nonrelativistic * Nuclear magnetic shieldings Subject RIV: CA - Inorganic Chemistry OBOR OECD: Inorganic and nuclear chemistry Impact factor: 2.847, year: 2016

  6. Iterative Metallic Artifact Reduction for In-Plane Gonadal Shielding During Computed Tomographic Venography of Young Males.

    Science.gov (United States)

    Choi, Jin Woo; Lee, Sang Yub; Kim, Jong Hyo; Jin, Hyeongmin; Lee, Jaewon; Choi, Young Hun; Lee, Hyeon-Kyeong; Park, Jae Hyung

    The purpose of this study was to evaluate a gonadal shield (GS) and iterative metallic artifact reduction (IMAR) during computed tomography scans, regarding the image quality and radiation dose. A phantom was imaged with and without a GS. Prospectively enrolled, young male patients underwent lower extremity computed tomography venography (precontrast imaging without the GS and postcontrast imaging with the GS). Radiation dose was measured each time, and the GS-applied images were reconstructed by weighted filtered back projection and IMAR. In the phantom study, image artifacts were significantly reduced by using IMAR (P = 0.031), whereas the GS reduced the radiation dose by 61.3%. In the clinical study (n = 29), IMAR mitigated artifacts from the GS, thus 96.6% of the IMAR image sets were clinically usable. Gonadal shielding reduced the radiation dose to the testes by 69.0%. The GS in conjunction with IMAR significantly reduced the radiation dose to the testes while maintaining the image quality.

  7. Evaluation using Monte Carlo simulations, of the effect of a shielding, called external shielding, for fotoneutrons generated in linear accelerators, using the computational model of Varian accelerator 2300 C/D operating in eight rotation angles of the GA

    International Nuclear Information System (INIS)

    Silva, Hugo R.; Silva, Ademir X.; Rebello, Wilson F.; Silva, Maria G.

    2011-01-01

    This paper aims to present the results obtained by Monte Carlo simulation of the effect of shielding against neutrons, called External Shielding, to be placed on the heads of linear accelerators used in radiotherapy. For this, it was used the radiation transport code Monte Carlo N-Particle - MCNPX, in which were developed computational model of the head of the linear accelerator Varian 2300 C/D. The equipment was simulated within a bunker, operating at energies of 10, 15 and 18 MV, considering the rotation of the gantry at eight different angles ( 0 deg, 45 deg, 90 deg, 135 deg, 180 deg, 225 deg, 270 deg and 315 deg), in all cases, the equipment was modeled without and with the shielding positioned attached to the head of the accelerator on its bottom. In each of these settings, it was calculated the Ambient Dose Equivalent due to neutron H * (10)n on points situated in the region of the patient (region of interest for evaluation of undesirable neutron doses on the patient) and in the maze of radiotherapy room (region of interest for shielding the access door to the bunker). It was observed for all energies of equipment operation as well as for all angles of inclination of the gantry, a significant reduction in the values of H * (10) n when the equipment operated with the external shielding, both in the region of the patient as in the region of the maze. (author)

  8. Accelerator shielding benchmark problems

    International Nuclear Information System (INIS)

    Hirayama, H.; Ban, S.; Nakamura, T.

    1993-01-01

    Accelerator shielding benchmark problems prepared by Working Group of Accelerator Shielding in the Research Committee on Radiation Behavior in the Atomic Energy Society of Japan were compiled by Radiation Safety Control Center of National Laboratory for High Energy Physics. Twenty-five accelerator shielding benchmark problems are presented for evaluating the calculational algorithm, the accuracy of computer codes and the nuclear data used in codes. (author)

  9. Calculating additional shielding requirements in diagnostics X-ray departments by computer

    International Nuclear Information System (INIS)

    Rahimi, A.

    2004-01-01

    This report provides an extension of an existing method for the calculation of the barrier thickness required to reduce the three types of radiation exposure emitted from the source, the primary, secondary and leakage radiation, to a specified weekly design limit (MPD). Since each of these three types of radiation are of different beam quality, having different shielding requirements, NCRP 49 has provided means to calculate the necessary protective barrier thickness for each type of radiation individually. Additionally, barrier requirements specified using the techniques stated at NCRP 49, show enormous variations among users. Part of the variations is due to different assumptions made regarding the use of the examined room and the characteristics of adjoining space. Many of the differences result from the difficulty of accurately relating information from the calculations to graphs and tables involved in the calculation process specified by this report. Moreover, the latest technological developments such as mammography are not addressed and attenuation data for three-phase generators, that are most widely used today, is not provided. The design of shielding barriers in diagnostic X-ray departments generally follow the ALARA principle. That means that, in practice, the exposure levels are kept 'as low as reasonably achievable', taking into account economical and technical factors. Additionally, the calculation of barrier requirements includes many uncertainties (e.g. the workload, the actual kVp used etc.). (author)

  10. Prevalence of Protective Shielding Utilization for Radiation Dose Reduction in Adult Patients Undergoing Body Scanning Using Computed Tomography.

    Science.gov (United States)

    Safiullah, Shoaib; Patel, Roshan; Uribe, Brittany; Spradling, Kyle; Lall, Chandana; Zhang, Lishi; Okhunov, Zhamshid; Clayman, Ralph V; Landman, Jaime

    2017-10-01

    Ionizing radiation is implicated in nearly 2% of malignancies in the United States; radiation shields prevent unnecessary radiation exposure during medical imaging. Contemporary radiation shield utilization for adult patients in the United States is poorly defined. Therefore, we evaluated the prevalence of protective shielding utilization in adult patients undergoing CT scans in United States' hospitals. An online survey was sent to established radiology departments randomly selected from the 2015 American Hospital Association Guide. Radiology departments conducting adult CT imaging were eligible; among 370 eligible departments, 215 departments accepted the study participation request. Questions focused on shielding practices during CT imaging of the eyes, thyroid, breasts, and gonads. Prevalence data were stratified per hospital location, size, and type. Main outcomes included overall protective shielding utilization, respondents' belief and knowledge regarding radiation safety, and organ-specific shielding prevalence. Sixty-seven of 215 (31%) hospitals completed the survey; 66 (99%) reported familiarity with the ALARA (as low as reasonably achievable) principle and 56 (84%) affirmed their belief that shielding is beneficial. Only 60% of hospitals employed shielding during CT imaging; among these institutions, shielding varied based on CT study: abdominopelvic CT (13, 33%), head CT (33, 83%), or chest CT (30, 75%). Among surveyed hospitals, 40% do not utilize CT shielding despite the majority acknowledging the ALARA principle and agreeing that shielding is a beneficial practice. Failure to address the low prevalence of protective shielding may lead to poor community health due to increased risk of radiation-related cancers.

  11. Shielding computations for solution transfer lines from Analytical Lab to process cells of Demonstration Fast Reactor Plant (DFRP)

    International Nuclear Information System (INIS)

    Baskar, S.; Jose, M.T.; Baskaran, R.; Venkatraman, B.

    2018-01-01

    The diluted virgin solutions (both aqueous and organic) and aqueous analytical waste generated from experimental analysis of process solutions, pertaining to Fast Breeder Test Reactor (FBTR) and Prototype Fast Breeder Reactor (PFBR), in glove boxes of active analytical Laboratory (AAL) are pumped back to the process cells through a pipe in pipe arrangement. There are 6 transfer lines (Length 15-32 m), 2 for each type of transfer. The transfer lines passes through the area inside the AAL and also the operating area. Hence it is required to compute the necessary radial shielding requirement around the lines to limit the dose rates in both the areas to the permissible values as per the regulatory requirement

  12. An extrapolation scheme for solid-state NMR chemical shift calculations

    Science.gov (United States)

    Nakajima, Takahito

    2017-06-01

    Conventional quantum chemical and solid-state physical approaches include several problems to accurately calculate solid-state nuclear magnetic resonance (NMR) properties. We propose a reliable computational scheme for solid-state NMR chemical shifts using an extrapolation scheme that retains the advantages of these approaches but reduces their disadvantages. Our scheme can satisfactorily yield solid-state NMR magnetic shielding constants. The estimated values have only a small dependence on the low-level density functional theory calculation with the extrapolation scheme. Thus, our approach is efficient because the rough calculation can be performed in the extrapolation scheme.

  13. A three-dimensional computed tomography-assisted Monte Carlo evaluation of ovoid shielding on the dose to the bladder and rectum in intracavitary radiotherapy for cervical cancer

    International Nuclear Information System (INIS)

    Gifford, Kent A.; Horton, John L.; Pelloski, Christopher E.; Jhingran, Anuja; Court, Laurence E.; Mourtada, Firas; Eifel, Patricia J.

    2005-01-01

    Purpose: To determine the effects of Fletcher Suit Delclos ovoid shielding on dose to the bladder and rectum during intracavitary radiotherapy for cervical cancer. Methods and Materials: The Monte Carlo method was used to calculate the dose in 12 patients receiving low-dose-rate intracavitary radiotherapy with both shielded and unshielded ovoids. Cumulative dose-difference surface histograms were computed for the bladder and rectum. Doses to the 2-cm 3 and 5-cm 3 volumes of highest dose were computed for the bladder and rectum with and without shielding. Results: Shielding affected dose to the 2-cm 3 and 5-cm 3 volumes of highest dose for the rectum (10.1% and 11.1% differences, respectively). Shielding did not have a major impact on the dose to the 2-cm 3 and 5-cm 3 volumes of highest dose for the bladder. The average dose reduction to 5% of the surface area of the bladder was 53 cGy. Reductions as large as 150 cGy were observed to 5% of the surface area of the bladder. The average dose reduction to 5% of the surface area of the rectum was 195 cGy. Reductions as large as 405 cGy were observed to 5% of the surface area of the rectum. Conclusions: Our data suggest that the ovoid shields can greatly reduce the radiation dose delivered to the rectum. We did not find the same degree of effect on the dose to the bladder. To calculate the dose accurately, however, the ovoid shields must be included in the dose model

  14. Shielding practice

    International Nuclear Information System (INIS)

    Sauermann, P.F.

    1985-08-01

    The basis of shielding practice against external irradiation is shown in a simple way. For most sources of radiation (point sources) occurring in shielding practice, the basic data are given, mainly in the form of tables, which are required to solve the shielding problems. The application of these data is explained and discussed using practical examples. Thickness of shielding panes of glove boxes for α and β radiation; shielding of sealed γ-radiography sources; shielding of a Co-60 radiation source, and of the manipulator panels for hot cells; damping factors for γ radiation and neutrons; shielding of fast and thermal neutrons, and of bremsstrahlung (X-ray tubes, Kr-85 pressure gas cylinders, 42 MeV betatrons, 20 MeV linacs); two-fold shielding (lead glass windows for hot cells, 14 MeV neutron generators); shielding against scattered radiation. (orig./HP) [de

  15. A fast random walk algorithm for computing diffusion-weighted NMR signals in multi-scale porous media: A feasibility study for a Menger sponge

    International Nuclear Information System (INIS)

    Grebenkov, Denis S.; Nguyen, Hang T.; Li, Jing-Rebecca

    2013-01-01

    A fast random walk (FRW) algorithm is adapted to compute diffusion-weighted NMR signals in a Menger sponge which is formed by multiple channels of broadly distributed sizes and often considered as a model for soils and porous materials. The self-similar structure of a Menger sponge allows for rapid simulations that were not feasible by other numerical techniques. The role of multiple length scales on diffusion-weighted NMR signals is investigated. (authors)

  16. Computer-aided structure elucidation Pt. 2. /sup 1/H-NMR data interpretation

    Energy Technology Data Exchange (ETDEWEB)

    Szalontai, G; Recsey, Zs; Csapo, Z [Nehezvegyipari Kutato Intezet, Veszprem (Hungary)

    1982-01-01

    A computerized /sup 1/H-NMR data interpretation system has been developed using the artificial intelligence approach. An attempt has been made to overcome the difficulties of interpreting higher order spin systems. Proton-containing functional groups are divided into subgroups according to their spectroscopic behaviour and the information they bear. Spin simulation is used to study the effect of substituents on the higher order splitting patterns. Illustrative examples are given.

  17. Computer code ANISN multiplying media and shielding calculation II. Code description (input/output)

    International Nuclear Information System (INIS)

    Maiorino, J.R.

    1990-01-01

    The user manual of the ANISN computer code describing input and output subroutines is presented. ANISN code was developed to solve one-dimensional transport equation for neutron or gamma rays in slab, sphere or cylinder geometry with general anisotropic scattering. The solution technique is the discrete ordinate method. (M.C.K.)

  18. Computational Diffusion Magnetic Resonance Imaging Based on Time-Dependent Bloch NMR Flow Equation and Bessel Functions.

    Science.gov (United States)

    Awojoyogbe, Bamidele O; Dada, Michael O; Onwu, Samuel O; Ige, Taofeeq A; Akinwande, Ninuola I

    2016-04-01

    Magnetic resonance imaging (MRI) uses a powerful magnetic field along with radio waves and a computer to produce highly detailed "slice-by-slice" pictures of virtually all internal structures of matter. The results enable physicians to examine parts of the body in minute detail and identify diseases in ways that are not possible with other techniques. For example, MRI is one of the few imaging tools that can see through bones, making it an excellent tool for examining the brain and other soft tissues. Pulsed-field gradient experiments provide a straightforward means of obtaining information on the translational motion of nuclear spins. However, the interpretation of the data is complicated by the effects of restricting geometries as in the case of most cancerous tissues and the mathematical concept required to account for this becomes very difficult. Most diffusion magnetic resonance techniques are based on the Stejskal-Tanner formulation usually derived from the Bloch-Torrey partial differential equation by including additional terms to accommodate the diffusion effect. Despite the early success of this technique, it has been shown that it has important limitations, the most of which occurs when there is orientation heterogeneity of the fibers in the voxel of interest (VOI). Overcoming this difficulty requires the specification of diffusion coefficients as function of spatial coordinate(s) and such a phenomenon is an indication of non-uniform compartmental conditions which can be analyzed accurately by solving the time-dependent Bloch NMR flow equation analytically. In this study, a mathematical formulation of magnetic resonance flow sequence in restricted geometry is developed based on a general second order partial differential equation derived directly from the fundamental Bloch NMR flow equations. The NMR signal is obtained completely in terms of NMR experimental parameters. The process is described based on Bessel functions and properties that can make it

  19. Electromagnetic shielding

    International Nuclear Information System (INIS)

    Tzeng, Wen-Shian V.

    1991-01-01

    Electromagnetic interference (EMI) shielding materials are well known in the art in forms such as gaskets, caulking compounds, adhesives, coatings and the like for a variety of EMI shielding purposes. In the past, where high shielding performance is necessary, EMI shielding has tended to use silver particles or silver coated copper particles dispersed in a resin binder. More recently, aluminum core silver coated particles have been used to reduce costs while maintaining good electrical and physical properties. (author). 8 figs

  20. On the hydraulic behaviour of ITER Shield Blocks #14 and #08. Computational analysis and comparison with experimental tests

    Energy Technology Data Exchange (ETDEWEB)

    Di Maio, P.A. [Dipartimento di Energia, Ingegneria dell’Informazione e Modelli Matematici, Università di Palermo Viale delle Scienze, 90128, Palermo (Italy); Merola, M.; Mitteau, R.; Raffray, R. [ITER Organization, Route de Vinon sur Verdon, 13067 Saint Paul, Lez Durance (France); Vallone, E., E-mail: eug.vallone@gmail.com [Dipartimento di Energia, Ingegneria dell’Informazione e Modelli Matematici, Università di Palermo Viale delle Scienze, 90128, Palermo (Italy)

    2016-11-01

    Highlights: • A benchmarking activity has been carried out focusing the attention on the cooling circuits of ITER Shield Blocks #08 and #14. • A theoretical-computational fluid-dynamic approach based on the Finite Volume Method has been followed, adopting a commercial code. • Hydraulic characteristic functions and spatial distributions of coolant mass flow rate, velocity and pressure drop have been assessed. • Results obtained have allowed code benchmarking for Blanket modules and the numerical predictions have been found to be generally lower than but quite close to the experimental results (lower than 10%). - Abstract: As a consequence of its position and functions, the ITER blanket system will be subjected to significant heat loads under nominal reference conditions. Therefore, the design of its cooling system is particularly demanding. Coolant water is distributed individually to the 440 blanket modules (BMs) through manifold piping, which makes it a highly parallelized system. The mass flow rate distribution is finely tuned to meet all operation constraints: adequate margin to burn out in the plasma facing components, even distribution of water flow among the so-called plasma-facing “fingers” of the Blanket First Wall panels, high enough water flow rate to avoid excessive water temperature in the outlet pipes, maximum allowable water velocity lower than 7 m/s in manifold pipes. Furthermore the overall pressure drop and flow rate in each BM shall be within the fixed specified design limit to avoid an unduly unbalance of cooling among the 440 modules. Analyses have to be carried out following a computational fluid-dynamic (CFD) approach based on the finite volume method and adopting a CFD commercial code to assess the thermal-hydraulic behaviour of each single circuit of the ITER blanket cooling system. This paper describes the code benchmarking needed to determine the best method to get reliable and timely results. Since experimental tests are

  1. Spectroscopic (FT-IR, FT-Raman and UV-Visible) investigations, NMR chemical shielding anisotropy (CSA) parameters of 2,6-Diamino-4-chloropyrimidine for dye sensitized solar cells using density functional theory.

    Science.gov (United States)

    Gladis Anitha, E; Joseph Vedhagiri, S; Parimala, K

    2015-02-05

    The molecular structure, geometry optimization, vibrational frequencies of organic dye sensitizer 2,6-Diamino-4-chloropyrimidine (DACP) were studied based on Hartree-Fock (HF) and density functional theory (DFT) using B3LYP methods with 6-311++G(d,p) basis set. Ultraviolet-Visible (UV-Vis) spectrum was investigated by time dependent DFT (TD-DFT). Features of the electronic absorption spectrum in the UV-Visible regions were assigned based on TD-DFT calculation. The absorption bands are assigned to transitions. The interfacial electron transfer between semiconductor TiO2 electrode and dye sensitizer DACP is due to an electron injection process from excited dye to the semiconductor's conduction band. The observed and the calculated frequencies are found to be in good agreement. The energies of the frontier molecular orbitals (FMOS) have also been determined. The chemical shielding anisotropic (CSA) parameters are calculated from the NMR analysis, Stability of the molecule arising from hyperconjugative interactions and charge delocalization has been analyzed using natural bond orbital (NBO) analysis. Copyright © 2014 Elsevier B.V. All rights reserved.

  2. Abstracts of digital computer code packages. Assembled by the Radiation Shielding Information Center

    International Nuclear Information System (INIS)

    McGill, B.; Maskewitz, B.F.; Anthony, C.M.; Comolander, H.E.; Hendrickson, H.R.

    1976-01-01

    The term ''code package'' is used to describe a miscellaneous grouping of materials which, when interpreted in connection with a digital computer, enables the scientist--user to solve technical problems in the area for which the material was designed. In general, a ''code package'' consists of written material--reports, instructions, flow charts, listings of data, and other useful material and IBM card decks (or, more often, a reel of magnetic tape) on which the source decks, sample problem input (including libraries of data) and the BCD/EBCDIC output listing from the sample problem are written. In addition to the main code, and any available auxiliary routines are also included. The abstract format was chosen to give to a potential code user several criteria for deciding whether or not he wishes to request the code package

  3. Abstracts of digital computer code packages. Assembled by the Radiation Shielding Information Center. [Radiation transport codes

    Energy Technology Data Exchange (ETDEWEB)

    McGill, B.; Maskewitz, B.F.; Anthony, C.M.; Comolander, H.E.; Hendrickson, H.R.

    1976-01-01

    The term ''code package'' is used to describe a miscellaneous grouping of materials which, when interpreted in connection with a digital computer, enables the scientist--user to solve technical problems in the area for which the material was designed. In general, a ''code package'' consists of written material--reports, instructions, flow charts, listings of data, and other useful material and IBM card decks (or, more often, a reel of magnetic tape) on which the source decks, sample problem input (including libraries of data) and the BCD/EBCDIC output listing from the sample problem are written. In addition to the main code, and any available auxiliary routines are also included. The abstract format was chosen to give to a potential code user several criteria for deciding whether or not he wishes to request the code package. (RWR)

  4. Neutron shielding point kernel integral calculation code for personal computer: PKN-pc

    International Nuclear Information System (INIS)

    Kotegawa, Hiroshi; Sakamoto, Yukio; Nakane, Yoshihiro; Tomita, Ken-ichi; Kurosawa, Naohiro.

    1994-07-01

    A personal computer version of PKN code, PKN-pc, has been developed to calculate neutron and secondary gamma-ray 1cm depth dose equivalents in water, ordinary concrete and iron for neutron source. Characteristics of PKN code are, to able to calculate dose equivalents in multi-layer three-dimensional system, which are described with two-dimensional surface, for monoenergetic neutron source from 0.01 to 14.9 MeV, 252 Cf fission and 241 Am-Be neutron source quick and easily. In addition to these features, the PKN-pc is possible to process interactive input and to get graphical system configuration and graphical results easily. (author)

  5. Computational programs for shielding calculation with transport of one dimensional and monoenergetic SN

    International Nuclear Information System (INIS)

    Nunes, Carlos Eduardo A.; Barros, Ricardo C.

    2009-01-01

    This paper describes a computational program for result simulation of neutron transport problems at one velocity with isotropic scattering in Cartesian onedimensional geometry. Describing the physical modelling, the next phase is a mathematical modelling of the physical problem for simulation of the neutron distribution. The mathematical modelling uses the linearized Boltzmann equation which represents a balance among the production and loss of particles. The formulation of the discrete ordinates S N consists of discretization of angular variables at N directions (discrete ordinates), and using a set of angular quadratures for the approximation of integral terms of scattering sources. The S N equations are numerically solved. This work describes three numerical methods: diamond difference, step and characteristic step. The paper also presents numerical results for illustration of the efficiency of the developed program

  6. α- and α'-Lithiation-Electrophile Trapping of N-Thiopivaloyl and N-tert-Butoxythiocarbonyl α-Substituted Azetidines: Rationalization of the Regiodivergence Using NMR and Computation.

    Science.gov (United States)

    Jackson, Kelvin E; Mortimer, Claire L; Odell, Barbara; McKenna, Jeffrey M; Claridge, Timothy D W; Paton, Robert S; Hodgson, David M

    2015-10-16

    (1)H NMR and computational analyses provide insight into the regiodivergent (α- and α'-) lithiation-electrophile trapping of N-thiopivaloyl- and N-(tert-butoxythiocarbonyl)-α-alkylazetidines. The magnitudes of the rotation barriers in these azetidines indicate that rotamer interconversions do not occur at the temperature and on the time scale of the lithiations. The NMR and computational studies support the origin of regioselectivity as being thiocarbonyl-directed lithiation from the lowest energy amide-like rotameric forms (cis for N-thiopivaloyl and trans for N-tert-butoxythiocarbonyl).

  7. Analysis of the ITER computational shielding benchmark with the Monte Carlo TRIPOLI-4{sup ®} neutron gamma coupled calculations

    Energy Technology Data Exchange (ETDEWEB)

    Lee, Yi-Kang, E-mail: yi-kang.lee@cea.fr

    2016-11-01

    Highlights: • Verification and validation of TRIPOLI-4 radiation transport calculations for ITER shielding benchmark. • Evaluation of CEA-V5.1.1 and FENDL-3.0 nuclear data libraries on D–T fusion neutron continuous energy transport calculations. • Advances in nuclear analyses for nuclear heating and radiation damage in iron. • This work also demonstrates that the “safety factors” concept is necessary in the nuclear analyses of ITER. - Abstract: With the growing interest in using the continuous-energy TRIPOLI-4{sup ®} Monte Carlo radiation transport code for ITER applications, a key issue that arises is whether or not the released TRIPOLI-4 code and its associated nuclear data libraries are verified and validated for the D–T fusion neutronics calculations. Previous published benchmark results of TRIPOLI-4 code on the ITER related activities have concentrated on the first wall loading, the reactor dosimetry, the nuclear heating, and the tritium breeding ratio. To enhance the TRIPOLI-4 verification and validation on neutron-gamma coupled calculations for fusion device application, the computational ITER shielding benchmark of M. E. Sawan was performed in this work by using the 2013 released TRIPOLI-4.9S code and the associated CEA-V5.1.1 data library. First wall, blanket, vacuum vessel and toroidal field magnet of the inboard and outboard components were fully modelled in this 1-D toroidal cylindrical benchmark. The 14.1 MeV source neutrons were sampled from a uniform isotropic distribution in the plasma zone. Nuclear responses including neutron and gamma fluxes, nuclear heating, and material damage indicator were benchmarked against previous published results. The capabilities of the TRIPOLI-4 code on the evaluation of above physics parameters were presented. The nuclear data library from the new FENDL-3.0 evaluation was also benchmarked against the CEA-V5.1.1 results for the neutron transport calculations. The results show that both data libraries

  8. Analysis of the ITER computational shielding benchmark with the Monte Carlo TRIPOLI-4® neutron gamma coupled calculations

    International Nuclear Information System (INIS)

    Lee, Yi-Kang

    2016-01-01

    Highlights: • Verification and validation of TRIPOLI-4 radiation transport calculations for ITER shielding benchmark. • Evaluation of CEA-V5.1.1 and FENDL-3.0 nuclear data libraries on D–T fusion neutron continuous energy transport calculations. • Advances in nuclear analyses for nuclear heating and radiation damage in iron. • This work also demonstrates that the “safety factors” concept is necessary in the nuclear analyses of ITER. - Abstract: With the growing interest in using the continuous-energy TRIPOLI-4 ® Monte Carlo radiation transport code for ITER applications, a key issue that arises is whether or not the released TRIPOLI-4 code and its associated nuclear data libraries are verified and validated for the D–T fusion neutronics calculations. Previous published benchmark results of TRIPOLI-4 code on the ITER related activities have concentrated on the first wall loading, the reactor dosimetry, the nuclear heating, and the tritium breeding ratio. To enhance the TRIPOLI-4 verification and validation on neutron-gamma coupled calculations for fusion device application, the computational ITER shielding benchmark of M. E. Sawan was performed in this work by using the 2013 released TRIPOLI-4.9S code and the associated CEA-V5.1.1 data library. First wall, blanket, vacuum vessel and toroidal field magnet of the inboard and outboard components were fully modelled in this 1-D toroidal cylindrical benchmark. The 14.1 MeV source neutrons were sampled from a uniform isotropic distribution in the plasma zone. Nuclear responses including neutron and gamma fluxes, nuclear heating, and material damage indicator were benchmarked against previous published results. The capabilities of the TRIPOLI-4 code on the evaluation of above physics parameters were presented. The nuclear data library from the new FENDL-3.0 evaluation was also benchmarked against the CEA-V5.1.1 results for the neutron transport calculations. The results show that both data libraries can be

  9. Shielding plugs

    International Nuclear Information System (INIS)

    Makishima, Kenji.

    1986-01-01

    Purpose: In shielding plugs of an LMFBR type reactor, to restrain natural convection of heat in an annular space between a thermal shield layer and a shield shell, to prevent the lowering of heat-insulation performance, and to alleviate a thermal stress in a reactor container and the shield shell. Constitution: A ring-like leaf spring split in the direction of height is disposed in an annular space between a thermal shield layer and a shield shell. In consequence, the space is partitioned in the direction of height and, therefore, if axial temperature conditions and space width are the same and the space is low, the natural convection is hard to occur. Thus the rise of upper surface temperature of the shielding plugs can prevent the lowering of the heat insulation performance which will result in the increment of shielding plug cooling capacity, thereby improving reliability. In the meantime, since there is mounted an earthquake-resisting support, the thermal shield layer will move for a slight gap in case of an earthquake, being supported by the earthquake-resisting support, and the movement of the thermal shield layer is restricted, thereby maintaining integrity without increasing the stroke of the ring-like spring. (Kawakami, Y.)

  10. Topogram-based tube current modulation of head computed tomography for optimizing image quality while protecting the eye lens with shielding.

    Science.gov (United States)

    Lin, Ming-Fang; Chen, Chia-Yuen; Lee, Yuan-Hao; Li, Chia-Wei; Gerweck, Leo E; Wang, Hao; Chan, Wing P

    2018-01-01

    Background Multiple rounds of head computed tomography (CT) scans increase the risk of radiation-induced lens opacification. Purpose To investigate the effects of CT eye shielding and topogram-based tube current modulation (TCM) on the radiation dose received by the lens and the image quality of nasal and periorbital imaging. Material and Methods An anthropomorphic phantom was CT-scanned using either automatic tube current modulation or a fixed tube current. The lens radiation dose was estimated using cropped Gafchromic films irradiated with or without a shield over the orbit. Image quality, assessed using regions of interest drawn on the bilateral extraorbital areas and the nasal bone with a water-based marker, was evaluated using both a signal-to-noise ratio (SNR) and contrast-noise ratio (CNR). Two CT specialists independently assessed image artifacts using a three-point Likert scale. Results The estimated radiation dose received by the lens was significantly lower when barium sulfate or bismuth-antimony shields were used in conjunction with a fixed tube current (22.0% and 35.6% reduction, respectively). Topogram-based TCM mitigated the beam hardening-associated artifacts of bismuth-antimony and barium sulfate shields. This increased the SNR by 21.6% in the extraorbital region and the CNR by 7.2% between the nasal bones and extraorbital regions. The combination of topogram-based TCM and barium sulfate or bismuth-antimony shields reduced lens doses by 12.2% and 27.2%, respectively. Conclusion Image artifacts induced by the bismuth-antimony shield at a fixed tube current for lenticular radioprotection were significantly reduced by topogram-based TCM, which increased the SNR of the anthropomorphic nasal bones and periorbital tissues.

  11. Monte Carlo computation of Bremsstrahlung intensity and energy spectrum from a 15 MV linear electron accelerator tungsten target to optimise LINAC head shielding

    International Nuclear Information System (INIS)

    Biju, K.; Sharma, Amiya; Yadav, R.K.; Kannan, R.; Bhatt, B.C.

    2003-01-01

    The knowledge of exact photon intensity and energy distributions from the target of an electron target is necessary while designing the shielding for the accelerator head from radiation safety point of view. The computations were carried out for the intensity and energy distribution of photon spectrum from a 0.4 cm thick tungsten target in different angular directions for 15 MeV electrons using a validated Monte Carlo code MCNP4A. Similar results were computed for 30 MeV electrons and found agreeing with the data available in literature. These graphs and the TVT values in lead help to suggest an optimum shielding thickness for 15 MV Linac head. (author)

  12. Multinuclear NMR of CaSiO(3) glass: simulation from first-principles.

    Science.gov (United States)

    Pedone, Alfonso; Charpentier, Thibault; Menziani, Maria Cristina

    2010-06-21

    An integrated computational method which couples classical molecular dynamics simulations with density functional theory calculations is used to simulate the solid-state NMR spectra of amorphous CaSiO(3). Two CaSiO(3) glass models are obtained by shell-model molecular dynamics simulations, successively relaxed at the GGA-PBE level of theory. The calculation of the NMR parameters (chemical shielding and quadrupolar parameters), which are then used to simulate solid-state 1D and 2D-NMR spectra of silicon-29, oxygen-17 and calcium-43, is achieved by the gauge including projector augmented-wave (GIPAW) and the projector augmented-wave (PAW) methods. It is shown that the limitations due to the finite size of the MD models can be overcome using a Kernel Estimation Density (KDE) approach to simulate the spectra since it better accounts for the disorder effects on the NMR parameter distribution. KDE allows reconstructing a smoothed NMR parameter distribution from the MD/GIPAW data. Simulated NMR spectra calculated with the present approach are found to be in excellent agreement with the experimental data. This further validates the CaSiO(3) structural model obtained by MD simulations allowing the inference of relationships between structural data and NMR response. The methods used to simulate 1D and 2D-NMR spectra from MD GIPAW data have been integrated in a package (called fpNMR) freely available on request.

  13. Xenon NMR of liquid crystals confined to cylindrical nanocavities: a simulation study.

    Science.gov (United States)

    Karjalainen, Jouni; Vaara, Juha; Straka, Michal; Lantto, Perttu

    2015-03-21

    Applications of liquid crystals (LCs), such as smart windows and the ubiquitous display devices, are based on controlling the orientational and translational order in a small volume of LC medium. Hence, understanding the effects of confinement to the liquid crystal phase behaviour is essential. The NMR shielding of (129)Xe atoms dissolved in LCs constitutes a very sensitive probe to the details of LC environment. Linking the experimental results to microscopic phenomena calls for molecular simulations. In this work, the NMR shielding of atomic (129)Xe dissolved in a uniaxial thermotropic LC confined to nanosized cylindrical cavities is computed from coarse-grained (CG) isobaric Monte Carlo (MC) simulations with a quantum-chemically (QC) pre-parameterised pairwise-additive model for the Xe nuclear shielding tensor. We report the results for the (129)Xe nuclear shielding and its connection to the structure and order of the LC appropriate to two different cavity sizes, as well as a comparison to the results of bulk (non-confined) simulations. We find that the confinement changes the LC phase structure dramatically and gives rise to the coexistence of varying degrees of LC order, which is reflected in the Xe shielding. Furthermore, we qualitatively reproduce the behaviour of the mean (129)Xe chemical shift with respect to temperature for atomic Xe dissolved in LC confined to controlled-pore glass materials. In the small-radius cavity the nematic - paranematic phase transition is revealed only by the anisotropic component of the (129)Xe nuclear shielding. In the larger cavity, the nematic - paranematic - isotropic transition is clearly seen in the Xe shielding. The simulated (129)Xe NMR shielding is insensitive to the smectic-A - nematic transition, since in the smectic-A phase, the Xe atoms largely occupy the imperfect layer structure near the cavity walls. The direct contribution of the cavity wall to (129)Xe nuclear shielding is dependent on the cavity size but

  14. Shielding chalculations in x-rays installations for medical diagnosis. description of the method and computational solution

    International Nuclear Information System (INIS)

    Borroto Valdes, M.; Saez, D.G.

    1992-01-01

    Shielding requirements for x-rays diagnostic installations are investigated. The description of an entirely analytical method for calculation of thickness, based in the papers of Simpkin and NCRP49, is presented. Considerations described in specialized method to solving this problem. A program for microcomputer IBM and compatibles ones is available for estimation of minimum shielding requirements in lead, concrete and steel. Similar results were obtained from comparing with others authors

  15. The application of SHIELD-HIT12A computer code to calculate of absorption dose for in vitro and in vivo test in BNCT

    International Nuclear Information System (INIS)

    Yohannes Sardjono; Hamidatul Faqqiyyah; Niels Bassler

    2014-01-01

    The projection of world population growth and increased longevity are leading to a rapid increase in the total number of middle-aged and older adults, with a corresponding increase in the number of deaths caused by non communicable diseases. It is projected that the annual number of deaths due to cardiovascular disease will increase from 17 million in 2008 to 25 million in 2030 with annual cancer deaths increasing from 7.6 million to 13 million. Boron Neutron Capture Therapy is a therapy that utilizes the absorption interaction of Boron-10 with thermal neutron and become He-4 particle and located in cell target and very short half life gamma emission. Studies were carried out to dose distribution in HER-2+ breast cancer therapy by Boron Neutron Capture Therapy (BNCT) using SHIELD Heavy Ion Therapy (HIT12A) T program. The Monte Carlo particle transport code SHIELD-HIT1 is designed to precisely simulate therapeutic beams of protons and ions in biological tissue relevant for ion beam cancer therapy. SHIELD-HIT (Heavy Ion Therapy) evolved from the common SHIELD code that models interactions of hadrons and atomic nuclei in complex extended targets in the energy range up to 1 TeV/nucleon. Through this computer code can be applied to calculate of absorption dose in cell target. (author)

  16. Angular neutron transport investigation in the HZETRN free-space ion and nucleon transport and shielding computer program

    International Nuclear Information System (INIS)

    Singleterry, R.C. Jr.; Wilson, J.W.

    1997-01-01

    Extension of the high charge and energy (HZE) transport computer program HZETRN for angular transport of neutrons is considered. For this paper, only light ion transport, He 4 and lighter, will be analyzed using a pure solar proton source. The angular transport calculator is the ANISN/PC program which is being controlled by the HZETRN program. The neutron flux values are compared for straight-ahead transport and angular transport in one dimension. The shield material is aluminum and the target material is water. The thickness of these materials is varied; however, only the largest model calculated is reported which is 50 gm/cm 2 of aluminum and 100 gm/cm 2 of water. The flux from the ANISN/PC calculation is about two orders of magnitude lower than the flux from HZETRN for very low energy neutrons. It is only a magnitude lower for the neutrons in the 10 to 20 MeV range in the aluminum and two orders lower in the water. The major reason for this difference is in the transport modes: straight-ahead versus angular. The angular treatment allows a longer path length than the straight-ahead approximation. Another reason is the different cross section sets used by the ANISN/PC-BUGLE-80 mode and the HZETRN mode. The next step is to investigate further the differences between the two codes and isolate the differences to just the angular versus straight-ahead transport mode. Then, create a better coupling between the angular neutron transport and the charged particle transport

  17. Shielding container

    International Nuclear Information System (INIS)

    Darling, K.A.M.

    1981-01-01

    A shielding container incorporates a dense shield, for example of depleted uranium, cast around a tubular member of curvilinear configuration for accommodating a radiation source capsule. A lining for the tubular member, in the form of a close-coiled flexible guide, provides easy replaceability to counter wear while the container is in service. Container life is extended, and maintenance costs are reduced. (author)

  18. Magic angle spinning NMR below 6 K with a computational fluid dynamics analysis of fluid flow and temperature gradients

    Science.gov (United States)

    Sesti, Erika L.; Alaniva, Nicholas; Rand, Peter W.; Choi, Eric J.; Albert, Brice J.; Saliba, Edward P.; Scott, Faith J.; Barnes, Alexander B.

    2018-01-01

    We report magic angle spinning (MAS) up to 8.5 kHz with a sample temperature below 6 K using liquid helium as a variable temperature fluid. Cross polarization 13C NMR spectra exhibit exquisite sensitivity with a single transient. Remarkably, 1H saturation recovery experiments show a 1H T1 of 21 s with MAS below 6 K in the presence of trityl radicals in a glassy matrix. Leveraging the thermal spin polarization available at 4.2 K versus 298 K should result in 71 times higher signal intensity. Taking the 1H longitudinal relaxation into account, signal averaging times are therefore predicted to be expedited by a factor of >500. Computer assisted design (CAD) and finite element analysis were employed in both the design and diagnostic stages of this cryogenic MAS technology development. Computational fluid dynamics (CFD) models describing temperature gradients and fluid flow are presented. The CFD models bearing and drive gas maintained at 100 K, while a colder helium variable temperature fluid stream cools the center of a zirconia rotor. Results from the CFD were used to optimize the helium exhaust path and determine the sample temperature. This novel cryogenic experimental platform will be integrated with pulsed dynamic nuclear polarization and electron decoupling to interrogate biomolecular structure within intact human cells.

  19. Computational methodology for the Oak Ridge Research Reactor (ORR) and Bulk Shielding Reactor (BSR): cross-section and validation. Volume 1

    International Nuclear Information System (INIS)

    Miller, L.F.; Williams, M.L.

    1986-03-01

    A neutronics library suitable for low-enrichment uranium (LEU) and high-enrichment uranium (HEU) fueled cores for both the Oak Ridge Research Reactor (ORR) and the Bulk Shielding Reactor (BSR) is documented herein. The library is obtained from version V of the Evaluated Nuclear Data File (ENDF/B-V) and contains 223 nuclides weighted over a variety of region-dependent neutron spectra. Self-shielding and zone-weighting effects are incorporated with 227-group calculations for several reactor-core configurations. Libraries are archived for both transport and diffusion theory seven-group calculations. Complete listings of processing details are included so that libraries with different specifications can be easily obtained. Results from validation calculations indicate that the neutronics libraries obtained from this effort are suitable for neutronics computations for the ORR and BSR. 12 refs., 5 figs., 15 tabs

  20. Annual reports on NMR spectroscopy

    CERN Document Server

    Webb, Graham A; McCarthy, M J

    1995-01-01

    Over recent years, no other technique has grown to such importance as that of NMR spectroscopy. It is used in all branches of science where precise structural determination is required and where the nature of interactions and reactions in solution is being studied. Annual Reports on NMR Spectroscopy has established itself as a means for the specialist and non-specialist alike to become familiar with new applications of the technique in all branches of chemistry, including biochemistry, and pharmaceutics. This volume focuses on theoretical aspects of NMR nuclear shielding and on applications of

  1. Electromagnetic shield

    International Nuclear Information System (INIS)

    Miller, J.S.

    1987-01-01

    An electromagnetic shield is described comprising: closed, electrically-conductive rings, each having an open center; and binder means for arranging the rings in a predetermined, fixed relationship relative to each other, the so-arranged rings and binder means defining an outer surface; wherein electromagnetic energy received by the shield from a source adjacent its outer surface induces an electrical current to flow in a predetermined direction adjacent and parallel to the outer surface, through the rings; and wherein each ring is configured to cause source-induced alternating current flowing through the portion of the ring closest to the outer surface to electromagnetically induce an oppositely-directed current in the portion of the ring furthest from the surface, such oppositely-directed current bucking any source-induced current in the latter ring portion and thus reducing the magnitude of current flowing through it, whereby the electromagnetic shielding effected by the shield is enhanced

  2. Neutron shieldings

    International Nuclear Information System (INIS)

    Tarutani, Kohei

    1979-01-01

    Purpose: To decrease the stresses resulted by the core bendings to the base of an entrance nozzle. Constitution: Three types of round shielding rods of different diameter are arranged in a hexagonal tube. The hexagonal tube is provided with several spacer pads receiving the loads from the core constrain mechanism at its outer circumference, a handling head for a fuel exchanger at its top and an entrance nozzle for self-holding the neutron shieldings and flowing heat-removing coolants at its bottom. The diameters for R 1 , R 2 and R 3 for the round shielding rods are designed as: 0.1 R 1 2 1 and 0.2 R 1 2 1 . Since a plurality of shielding rods of small diameter are provided, soft structure are obtained and a plurality of coolant paths are formed. (Furukawa, Y.)

  3. Nuclear shields

    International Nuclear Information System (INIS)

    Linares, R.C.; Nienart, L.F.; Toelcke, G.A.

    1976-01-01

    A process is described for preparing melt-processable nuclear shielding compositions from chloro-fluoro substituted ethylene polymers, particularly PCTFE and E-CTFE, containing 1 to 75 percent by weight of a gadolinium compound. 13 claims, no drawings

  4. REACTOR SHIELD

    Science.gov (United States)

    Wigner, E.P.; Ohlinger, L.E.; Young, G.J.; Weinberg, A.M.

    1959-02-17

    Radiation shield construction is described for a nuclear reactor. The shield is comprised of a plurality of steel plates arranged in parallel spaced relationship within a peripheral shell. Reactor coolant inlet tubes extend at right angles through the plates and baffles are arranged between the plates at right angles thereto and extend between the tubes to create a series of zigzag channels between the plates for the circulation of coolant fluid through the shield. The shield may be divided into two main sections; an inner section adjacent the reactor container and an outer section spaced therefrom. Coolant through the first section may be circulated at a faster rate than coolant circulated through the outer section since the area closest to the reactor container is at a higher temperature and is more radioactive. The two sections may have separate cooling systems to prevent the coolant in the outer section from mixing with the more contaminated coolant in the inner section.

  5. Development of a computational code for calculations of shielding in dental facilities; Desenvolvimento de um codigo computacional para calculos de blindagem em instalacoes odontologicas

    Energy Technology Data Exchange (ETDEWEB)

    Lava, Deise D.; Borges, Diogo da S.; Affonso, Renato R.W.; Guimaraes, Antonio C.F.; Moreira, Maria de L., E-mail: deise_dy@hotmail.com, E-mail: diogosb@outlook.com, E-mail: raoniwa@yahoo.com.br, E-mail: tony@ien.gov.br, E-mail: malu@ien.gov.br [Instituto de Engenharia Nuclear (IEN/CNEN-RJ), Rio de Janeiro, RJ (Brazil)

    2014-07-01

    This paper is prepared in order to address calculations of shielding to minimize the interaction of patients with ionizing radiation and / or personnel. The work includes the use of protection report Radiation in Dental Medicine (NCRP-145 or Radiation Protection in Dentistry), which establishes calculations and standards to be adopted to ensure safety to those who may be exposed to ionizing radiation in dental facilities, according to the dose limits established by CNEN-NN-3.1 standard published in September / 2011. The methodology comprises the use of computer language for processing data provided by that report, and a commercial application used for creating residential projects and decoration. The FORTRAN language was adopted as a method for application to a real case. The result is a programming capable of returning data related to the thickness of material, such as steel, lead, wood, glass, plaster, acrylic, acrylic and leaded glass, which can be used for effective shielding against single or continuous pulse beams. Several variables are used to calculate the thickness of the shield, as: number of films used in the week, film load, use factor, occupational factor, distance between the wall and the source, transmission factor, workload, area definition, beam intensity, intraoral and panoramic exam. Before the application of the methodology is made a validation of results with examples provided by NCRP-145. The calculations redone from the examples provide answers consistent with the report.

  6. AB INITIO STUDY, INVESTIGATION OF NMR SHIELDING ...

    African Journals Online (AJOL)

    Preferred Customer

    invariant atomic orbital (GIAO) method was employed to calculate isotropic atomic .... 298 K in order to obtain entropy (S) and free energy (G) variation for the considered process. ... well as epoxides, organic halides and activated alkenes.

  7. Integrating Solid-State NMR and Computational Modeling to Investigate the Structure and Dynamics of Membrane-Associated Ghrelin

    Science.gov (United States)

    Els-Heindl, Sylvia; Chollet, Constance; Scheidt, Holger A.; Beck-Sickinger, Annette G.; Meiler, Jens; Huster, Daniel

    2015-01-01

    The peptide hormone ghrelin activates the growth hormone secretagogue receptor 1a, also known as the ghrelin receptor. This 28-residue peptide is acylated at Ser3 and is the only peptide hormone in the human body that is lipid-modified by an octanoyl group. Little is known about the structure and dynamics of membrane-associated ghrelin. We carried out solid-state NMR studies of ghrelin in lipid vesicles, followed by computational modeling of the peptide using Rosetta. Isotropic chemical shift data of isotopically labeled ghrelin provide information about the peptide’s secondary structure. Spin diffusion experiments indicate that ghrelin binds to membranes via its lipidated Ser3. Further, Phe4, as well as electrostatics involving the peptide’s positively charged residues and lipid polar headgroups, contribute to the binding energy. Other than the lipid anchor, ghrelin is highly flexible and mobile at the membrane surface. This observation is supported by our predicted model ensemble, which is in good agreement with experimentally determined chemical shifts. In the final ensemble of models, residues 8–17 form an α-helix, while residues 21–23 and 26–27 often adopt a polyproline II helical conformation. These helices appear to assist the peptide in forming an amphipathic conformation so that it can bind to the membrane. PMID:25803439

  8. Integrating solid-state NMR and computational modeling to investigate the structure and dynamics of membrane-associated ghrelin.

    Directory of Open Access Journals (Sweden)

    Gerrit Vortmeier

    Full Text Available The peptide hormone ghrelin activates the growth hormone secretagogue receptor 1a, also known as the ghrelin receptor. This 28-residue peptide is acylated at Ser3 and is the only peptide hormone in the human body that is lipid-modified by an octanoyl group. Little is known about the structure and dynamics of membrane-associated ghrelin. We carried out solid-state NMR studies of ghrelin in lipid vesicles, followed by computational modeling of the peptide using Rosetta. Isotropic chemical shift data of isotopically labeled ghrelin provide information about the peptide's secondary structure. Spin diffusion experiments indicate that ghrelin binds to membranes via its lipidated Ser3. Further, Phe4, as well as electrostatics involving the peptide's positively charged residues and lipid polar headgroups, contribute to the binding energy. Other than the lipid anchor, ghrelin is highly flexible and mobile at the membrane surface. This observation is supported by our predicted model ensemble, which is in good agreement with experimentally determined chemical shifts. In the final ensemble of models, residues 8-17 form an α-helix, while residues 21-23 and 26-27 often adopt a polyproline II helical conformation. These helices appear to assist the peptide in forming an amphipathic conformation so that it can bind to the membrane.

  9. Assignment of solid-state 13C and 1H NMR spectra of paramagnetic Ni(II) acetylacetonate complexes aided by first-principles computations

    DEFF Research Database (Denmark)

    Rouf, Syed Awais; Jakobsen, Vibe Boel; Mareš, Jiří

    2017-01-01

    Recent advances in computational methodology allowed for first-principles calculations of the nuclear shielding tensor for a series of paramagnetic nickel(II) acetylacetonate complexes, [Ni(acac)2L2] with L = H2O, D2O, NH3, ND3, and PMe2Ph have provided detailed insight into the origin of the par......Recent advances in computational methodology allowed for first-principles calculations of the nuclear shielding tensor for a series of paramagnetic nickel(II) acetylacetonate complexes, [Ni(acac)2L2] with L = H2O, D2O, NH3, ND3, and PMe2Ph have provided detailed insight into the origin...

  10. 1H NMR, 13C NMR and Computational Daft Study of the Solution Structure of 2-Formylcyclohexane-1,3-Dione and its Alkali Metal Salts

    International Nuclear Information System (INIS)

    Szczecinski, P.; Gryff-Keller, A.; Molchanov, S.

    2005-01-01

    Triketones have been known for many years to be efficient inhibitors of (4-hydroxyphenyl)pyruvate dioxygenase (HPPD), an enzyme very important for plants and animals, which catalyzes the tyrosine catabolism. Inhibition of this process has been used for both herbicidal and medical purposes. The mechanism of inhibition of HPPD by triketones is still under investigation. Recently, an almost complete mechanistic model of interaction between the mentioned enzyme and its inhibitor has been proposed. However, some arguments used by the authors to rationalize the proposed mechanism cannot be accepted. Therefore further developing of the investigation in this field is justified. In the present work the solution structure of 2-formylcyclohexane-1,3-dione, a simple molecular model of HPPD inhibitors, has been investigated using 1 H and 13 C NMR spectroscopic methods and theoretical DFT-based calculations. (author)

  11. Elementary computation of radiation doses and shieldings for radiochemical laboratories; Calculo Elemental de dosis y blindajes para laboratorios radioquimicos

    Energy Technology Data Exchange (ETDEWEB)

    Jimeno de Osso, F

    1971-07-01

    Simple procedures for the calculation of radiation exposition, half thickness, shield thickness, etc. are described and equations and graphs are included for those gamma-emitting radionuclides, that are more often used in radiochemical laboratories. Application is made of these procedures to three radionuclides, bromine-82, sodium-24 and cobalt-60 which cover a rather wl.de energy range; theoretical results are compared with those obtained from experimental measurements. (Author) 23 refs.

  12. NMR Computational Studies of Solid Acidity/Fundamental Studies of Catalysis by Solid Acids

    Energy Technology Data Exchange (ETDEWEB)

    James F. Haw

    2008-06-28

    This project focused on catalysis by zeolites and the synergy of spectroscopic characterization and theoretical modeling. In collaboration with the Waroquier group in Belgium we used state-of-the-art quantum chemical simulations on a supramolecular model of both the HZSM-5 zeolite and the co-catalytic hydrocarbon pool species and calculated a full catalytic cycle (including all rate constants) for methanol-to-olefin (MTO) catalysis involving a hydrocarbon pool species. This work not only represents the most robust computational analysis of a successful MTO route to date, but it also succeeds in tying together the many experimental clues. That work was featured on the cover of Angewandte Chemie. More recently we elucidated several unsuspected roles for formaldehyde in methanol to olefin catalysis. Formaldehyde proves to be a key species responsible for both the growth of the catalytically active hydrocarbon pool and its inevitable aging into deactivated polycyclic aromatic species. The apparent inevitability of formaldehyde formation at high temperatures, in particular in contact with active metal or metal oxide surfaces, may put some fundamental limitations on the economic potential of conversion of methanol to olefins.

  13. Penetration shielding applications of CYLSEC

    International Nuclear Information System (INIS)

    Dexheimer, D.T.; Hathaway, J.M.

    1985-01-01

    Evaluation of penetration and discontinuity shielding is necessary to meet 10CFR20 regulations for ensuring personnel exposures are as low as reasonably achievable (ALARA). Historically, those shielding evaluations have been done to some degree on all projects. However, many early plants used conservative methods due to lack of an economical computer code, resulting in costly penetration shielding programs. With the increased industry interest in cost effectively reducing personnel exposures to meet ALARA regulations and with the development of the CYLSEC gamma transport computer code at Bechtel, a comprehensive effort was initiated to reduce penetration and discontinuity shielding but still provide a prudent degree of protection for plant personnel from radiation streaming. This effort was more comprehensive than previous programs due to advances in shielding analysis technology and increased interest in controlling project costs while maintaining personnel exposures ALARA. Methodology and resulting cost savings are discussed

  14. Radiation shielding

    International Nuclear Information System (INIS)

    Aitken, D.

    1979-01-01

    Shields for equipment in which ionising radiation is associated with high electrical gradients, for example X-ray tubes and particle accelerators, incorporate a radiation-absorbing metal, as such or as a compound, and are electrically non-conducting and can be placed in the high electrical gradient region of the equipment. Substances disclosed include dispersions of lead, tungsten, uranium or oxides of these in acrylics polyesters, PVC, ABS, polyamides, PTFE, epoxy resins, glass or ceramics. The material used may constitute an evacuable enclosure of the equipment or may be an external shield thereof. (U.K.)

  15. URR [Unresolved Resonance Region] computer code: A code to calculate resonance neutron cross-section probability tables, Bondarenko self-shielding factors, and self-indication ratios for fissile and fertile nuclides

    International Nuclear Information System (INIS)

    Leal, L.C.; de Saussure, G.; Perez, R.B.

    1990-01-01

    The URR computer code has been developed to calculate cross-section probability tables, Bondarenko self-shielding factors, and self-indication ratios for fertile and fissile isotopes in the unresolved resonance region. Monte Carlo methods are utilized to select appropriate resonance parameters and to compute the cross sections at the desired reference energy. The neutron cross sections are calculated by the single-level Breit-Wigner formalism with s-, p-, and d-wave contributions. The cross-section probability tables are constructed by sampling by Doppler broadened cross-sections. The various self-shielding factors are computer numerically as Lebesgue integrals over the cross-section probability tables

  16. Gonadal shield.

    Science.gov (United States)

    Purdy, J A; Stiteler, R D; Glasgow, G P; Mill, W B

    1975-10-01

    A secondary gonadal shield for use in the pelvic irradiation of males was designed and built using material and apparatus available with the Cerrobend blocking system. The gonadal dose was reduced to approximately 1.5 to 2.5% of the given dose.

  17. Methods and experimental coefficients used in the computation of reactor shielding; Methodes et coefficients experimentaux pour le calcul des protections de reacteurs

    Energy Technology Data Exchange (ETDEWEB)

    Bourgeois, J; Lafore, P; Millot, J P; Rastoin, J; Vathaire, F de [Commissariat a l' Energie Atomique, Saclay (France).Centre d' Etudes Nucleaires

    1959-07-01

    1) The concept of an effective removal cross section has been developed in order more easily to compute reactor shielding thicknesses. We have built an experimental facility for the purpose of measuring effective removal cross sections, the value of which had not been published at that time. The first part of this paper describes the device or facility used, the computation method applied, and the results obtained. 2) Starting from this concept, we endeavoured to define a removal cross section as a function of energy. This enabled us to use the method for computations bearing on the attenuation of fast neutrons of any spectrum. An experimental verification was carried out for the case of fission neutrons filtered by a substantial thickness of graphite. 3) Finally, we outline a computation method enabling us to determine the sources of captured gamma rays by the age theory and we give an example of the application in a composite shield. (author) [French] 1) La notion de section efficace effective de deplacement a ete introduite pour calculer commodement les epaisseurs de protection des reacteurs. Nous avons construit un dispositif experimental destine a mesurer les sections efficaces effectives de deplacement dont la valeur n'avait pas ete publiee a cette epoque. La premiere partie de cette communication decrit le dispositif utilise, la methode de calcul employee et les resultats obtenus. 2) A partir de cette notion, nous avons essaye de definir une section efficace de deplacement fonction de l'energie. Ceci permet d'utiliser la methode du deplacement pour des calculs d'attenuation de neutrons rapides dont le spectre est quelconque. Une verification experimentale a ete faite dans le cas de neutrons de fission filtres par une epaisseur notable de graphite. 3) Enfin une methode de calcul permettant de determiner les sources de gamma de capture par la theorie de l'age est exposee et un exemple d'application donne dans une protection composite. (auteur)

  18. Methods and experimental coefficients used in the computation of reactor shielding; Methodes et coefficients experimentaux pour le calcul des protections de reacteurs

    Energy Technology Data Exchange (ETDEWEB)

    Bourgeois, J; Lafore, P; Millot, J P; Rastoin, J; Vathaire, F de [Commissariat a l' Energie Atomique, Saclay (France). Centre d' Etudes Nucleaires

    1958-07-01

    1. The concept of an effective removal cross section has been developed in order more easily to compute reactor shielding thicknesses. We have built an experimental facility for the purpose of measuring effective removal cross sections, the value of which had not been published at that time. The first part of this paper describes the device or facility used, the computation method applied, and the results obtained. 2. Starting from this concept, we endeavored to define a removal cross section as a function of energy. This enabled us to use the method for computations bearing on the attenuation of fast neutrons of any spectrum. An experimental verification was carried out for the case of fission neutrons filtered by a substantial thickness of graphite. 3. Finally, we outline a computation method enabling us to determine the sources of captured gamma rays by the age theory and we give an example of the application in a composite shield. (author)Fren. [French] 1. La notion de section efficace effective de deplacement a ete introduite pour calculer commodement les epaisseurs de protection des reacteurs. Nous avons construit un dispositif experimental destine a mesurer les sections efficaces effectives de deplacement dont la valeur n'avait pas ete publiee a cette epoque. La premiere partie de cette communication decrit le dispositif utilise, la methode de calcul employee et les resultats obtenus. 2. A partir de cette notion, nous avons essaye de definir une section efficace de deplacement fonction de l'energie. Ceci permet d'utiliser la methode du deplacement pour des calculs d'attenuation de neutrons rapides dont le spectre est quelconque. Une verification experimentale a ete faite dans le cas de neutrons de fission filtres par une epaisseur notable de graphite. 3. Enfin une mde de calcul permettant de determiner les sources de gamma de capture par la theorie de l'age est exposee et un exemple d'application donne dans une protection composite. (auteur)

  19. A novel tridentate Schiff base dioxo-molybdenum(VI) complex: synthesis, experimental and theoretical studies on its crystal structure, FTIR, UV-visible, ¹H NMR and ¹³C NMR spectra.

    Science.gov (United States)

    Saheb, Vahid; Sheikhshoaie, Iran; Stoeckli-Evans, Helen

    2012-09-01

    A new dioxo-molybdenum(VI) complex [MoO(2)(L)(H(2)O)] has been synthesized, using 5-methoxy 2-[(2-hydroxypropylimino)methyl]phenol as tridentate ONO donor Schiff base ligand (H(2)L) and MoO(2)(acac)(2). The yellow crystals of the compound are used for single-crystal X-ray analysis and measuring Fourier Transform Infrared (FTIR), UV-visible, (1)H NMR and (13)C NMR spectra. Electronic structure calculations at the B3LYP and PW91PW91 levels of theory are performed to optimize the molecular geometry and to calculate the UV-visible, FTIR, (1)H NMR and (13)C NMR spectra of the compound. Vibrational assignments and analysis of the fundamental modes of the compound are performed. Time-dependent density functional theory (TDDFT) method is used to calculate the electronic transitions of the complex. All theoretical methods can well reproduce the structure of the compound. The (1)H NMR shielding tensors computed at the B3LYP/DGDZVP level of theory is in agreement with experimental (1)H NMR spectra. However, the (13)C NMR shielding tensors computed at the B3LYP level, employing a combined basis set of DGDZVP for Mo and 6-31+G(2df,p) for other atoms, are in better agreement with experimental (13)C NMR spectra. The electronic transitions calculated at the B3LYP/DGDZVP level by using TD-DFT method is in accordance with the observed UV-visible spectrum of the compound. Copyright © 2012 Elsevier B.V. All rights reserved.

  20. Infinite slab-shield dose calculations

    International Nuclear Information System (INIS)

    Russell, G.J.

    1989-01-01

    I calculated neutron and gamma-ray equivalent doses leaking through a variety of infinite (laminate) slab-shields. In the shield computations, I used, as the incident neutron spectrum, the leakage spectrum (<20 MeV) calculated for the LANSCE tungsten production target at 90 degree to the target axis. The shield thickness was fixed at 60 cm. The results of the shield calculations show a minimum in the total leakage equivalent dose if the shield is 40-45 cm of iron followed by 20-15 cm of borated (5% B) polyethylene. High-performance shields can be attained by using multiple laminations. The calculated dose at the shield surface is very dependent on shield material. 4 refs., 4 figs., 1 tab

  1. Radiation shielding

    International Nuclear Information System (INIS)

    Yue, D.D.

    1979-01-01

    Details are given of a cylindrical electric penetration assembly for carrying instrumentation leads, used in monitoring the performance of a nuclear reactor, through the containment wall of the reactor. Effective yet economical shielding protection against both fast neutron and high-energy gamma radiation is provided. Adequate spacing within the assembly allows excessive heat to be efficiently dissipated and means of monitoring all potential radiation and gas leakage paths are provided. (UK)

  2. Shielded container

    International Nuclear Information System (INIS)

    Fries, B.A.

    1978-01-01

    A shielded container for transportation of radioactive materials is disclosed in which leakage from the container is minimized due to constructional features including, inter alia, forming the container of a series of telescoping members having sliding fits between adjacent side walls and having at least two of the members including machine sealed lids and at least two of the elements including hand-tightenable caps

  3. Two dimensional solid state NMR

    International Nuclear Information System (INIS)

    Kentgens, A.P.M.

    1987-01-01

    This thesis illustrates, by discussing some existing and newly developed 2D solid state experiments, that two-dimensional NMR of solids is a useful and important extension of NMR techniques. Chapter 1 gives an overview of spin interactions and averaging techniques important in solid state NMR. As 2D NMR is already an established technique in solutions, only the basics of two dimensional NMR are presented in chapter 2, with an emphasis on the aspects important for solid spectra. The following chapters discuss the theoretical background and applications of specific 2D solid state experiments. An application of 2D-J resolved NMR, analogous to J-resolved spectroscopy in solutions, to natural rubber is given in chapter 3. In chapter 4 the anisotropic chemical shift is mapped out against the heteronuclear dipolar interaction to obtain information about the orientation of the shielding tensor in poly-(oxymethylene). Chapter 5 concentrates on the study of super-slow molecular motions in polymers using a variant of the 2D exchange experiment developed by us. Finally chapter 6 discusses a new experiment, 2D nutation NMR, which makes it possible to study the quadrupole interaction of half-integer spins. 230 refs.; 48 figs.; 8 tabs

  4. Speed up of MCACE, a Monte Carlo code for evaluation of shielding safety, by parallel computer, (3)

    International Nuclear Information System (INIS)

    Takano, Makoto; Masukawa, Fumihiro; Naito, Yoshitaka; Onodera, Emi; Imawaka, Tsuneyuki; Yoda, Yoshihisa.

    1993-07-01

    The parallel computing of the MCACE code has been studied on two platforms; 1) Shared Memory Type Vector-Parallel Computer Monte-4 and 2) Networked Several Workstations. On the Monte-4, a disk-file has been allocated to collect all results computed by 4 CPUs in parallel, executing the copy of the MCACE code on each CPU. On the workstations under network environment, two parallel models have been evaluated; 1) a host-node model and 2) the model used on the Monte-4 where no software for parallelization has been employed but only standard FORTRAN language. The measurement of computing times has showed that speed up of about 3 times has been achieved by using 4 CPUs of the Monte-4. Further, connecting 4 workstations by network, the computing speed by parallelization has achieved faster than our scalar main frame computer, FACOM M-780. (author)

  5. Curie-type paramagnetic NMR relaxation in the aqueous solution of Ni(II).

    Science.gov (United States)

    Mareš, Jiří; Hanni, Matti; Lantto, Perttu; Lounila, Juhani; Vaara, Juha

    2014-04-21

    Ni(2+)(aq) has been used for many decades as a model system for paramagnetic nuclear magnetic resonance (pNMR) relaxation studies. More recently, its magnetic properties and also nuclear magnetic relaxation rates have been studied computationally. We have calculated electron paramagnetic resonance and NMR parameters using quantum-mechanical (QM) computation of molecular dynamics snapshots, obtained using a polarizable empirical force field. Statistical averages of hyperfine coupling, g- and zero-field splitting tensors, as well as the pNMR shielding terms, are compared to the available experimental and computational data. In accordance with our previous work, the isotropic hyperfine coupling as well as nuclear shielding values agree well with experimental measurements for the (17)O nuclei of water molecules in the first solvation shell of the nickel ion, whereas larger deviations are found for (1)H centers. We report, for the first time, the Curie-type contribution to the pNMR relaxation rate using QM calculations together with Redfield relaxation theory. The Curie relaxation mechanism is analogous to chemical shift anisotropy relaxation, well-known in diamagnetic NMR. Due to the predominance of other types of paramagnetic relaxation mechanisms for this system, it is possible to extract the Curie term only computationally. The Curie mechanism alone would result in around 16 and 20 s(-1) of relaxation rates (R1 and R2 respectively) for the (1)H nuclei of water molecules bonded to the Ni(2+) center, in a magnetic field of 11.7 T. The corresponding (17)O relaxation rates are around 33 and 38 s(-1). We also report the Curie contribution to the relaxation rate for molecules beyond the first solvation shell in a 1 M solution of Ni(2+) in water.

  6. Correlating the P-31 NMR Chemical Shielding Tensor and the (2)J(P,C) Spin-Spin Coupling Constants with Torsion Angles zeta and alpha in the Backbone of Nucleic Acids

    Czech Academy of Sciences Publication Activity Database

    Benda, Ladislav; Sochorová Vokáčová, Zuzana; Straka, Michal; Sychrovský, Vladimír

    2012-01-01

    Roč. 116, č. 12 (2012), s. 3823-3833 ISSN 1520-6106 R&D Projects: GA ČR GAP205/10/0228; GA ČR GPP208/10/P398; GA ČR GA203/09/2037 Institutional research plan: CEZ:AV0Z40550506 Keywords : nucleic acids * phosphorus NMR * NMR calculations * cross-correlated relaxation * spin–spin coupling constants Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 3.607, year: 2012

  7. Microprocessorized NMR measurement

    International Nuclear Information System (INIS)

    Rijllart, A.

    1984-01-01

    An MC68000 CAMAC microprocessor system for fast and accurate NMR signal measurement will be presented. A stand-alone CAMAC microprocessor system (MC68000 STAC) with a special purpose interface sweeps a digital frequency synthesizer and digitizes the NMR signal with a 16-bit ADC of 17 μs conversion time. It averages the NMR signal data over many sweeps and then transfers it through CAMAC to a computer for calculation of the signal parameters. The computer has full software control over the timing and sweep settings of this signal averager, and thus allows optimization of noise suppression. Several of these processor systems can be installed in the same crate for parallel processing, and the flexibility of the STAC also allows easy adaptation to other applications such as transient recording or phase-sensitive detection. (orig.)

  8. Computational Protocols for Prediction of Solute NMR Relative Chemical Shifts. A Case Study of L-Tryptophan in Aqueous Solution

    DEFF Research Database (Denmark)

    Eriksen, Janus J.; Olsen, Jógvan Magnus H.; Aidas, Kestutis

    2011-01-01

    to the results stemming from the conformations extracted from the MM conformational search in terms of replicating an experimental reference as well as in achieving the correct sequence of the NMR relative chemical shifts of L-tryptophan in aqueous solution. We find this to be due to missing conformations......In this study, we have applied two different spanning protocols for obtaining the molecular conformations of L-tryptophan in aqueous solution, namely a molecular dynamics simulation and a molecular mechanics conformational search with subsequent geometry re-optimization of the stable conformers...... using a quantum mechanically based method. These spanning protocols represent standard ways of obtaining a set of conformations on which NMR calculations may be performed. The results stemming from the solute–solvent configurations extracted from the MD simulation at 300 K are found to be inferior...

  9. Density functional calculations of backbone 15N shielding tensors in beta-sheet and turn residues of protein G

    International Nuclear Information System (INIS)

    Cai Ling; Kosov, Daniel S.; Fushman, David

    2011-01-01

    We performed density functional calculations of backbone 15 N shielding tensors in the regions of beta-sheet and turns of protein G. The calculations were carried out for all twenty-four beta-sheet residues and eight beta-turn residues in the protein GB3 and the results were compared with the available experimental data from solid-state and solution NMR measurements. Together with the alpha-helix data, our calculations cover 39 out of the 55 residues (or 71%) in GB3. The applicability of several computational models developed previously (Cai et al. in J Biomol NMR 45:245–253, 2009) to compute 15 N shielding tensors of alpha-helical residues is assessed. We show that the proposed quantum chemical computational model is capable of predicting isotropic 15 N chemical shifts for an entire protein that are in good correlation with experimental data. However, the individual components of the predicted 15 N shielding tensor agree with experiment less well: the computed values show much larger spread than the experimental data, and there is a profound difference in the behavior of the tensor components for alpha-helix/turns and beta-sheet residues. We discuss possible reasons for this.

  10. Contribution to the algorithmic and efficient programming of new parallel architectures including accelerators for neutron physics and shielding computations

    International Nuclear Information System (INIS)

    Dubois, J.

    2011-01-01

    In science, simulation is a key process for research or validation. Modern computer technology allows faster numerical experiments, which are cheaper than real models. In the field of neutron simulation, the calculation of eigenvalues is one of the key challenges. The complexity of these problems is such that a lot of computing power may be necessary. The work of this thesis is first the evaluation of new computing hardware such as graphics card or massively multi-core chips, and their application to eigenvalue problems for neutron simulation. Then, in order to address the massive parallelism of supercomputers national, we also study the use of asynchronous hybrid methods for solving eigenvalue problems with this very high level of parallelism. Then we experiment the work of this research on several national supercomputers such as the Titane hybrid machine of the Computing Center, Research and Technology (CCRT), the Curie machine of the Very Large Computing Centre (TGCC), currently being installed, and the Hopper machine at the Lawrence Berkeley National Laboratory (LBNL). We also do our experiments on local workstations to illustrate the interest of this research in an everyday use with local computing resources. (author) [fr

  11. NMR imaging

    International Nuclear Information System (INIS)

    Andrew, E.R.

    1983-01-01

    Since hydrogen is the most abundant element in all living organisms, proton NMR lends itself well as a method of investigation in biology and medicine. NMR imaging has some special advantages as a diagnostic tool: no ionizing radiation is used, it is noninvasive; it provides a safer means of imaging than the use of x-rays, gamma rays, positrons, or heavy ions. In contrast with ultrasound, the radiation penetrates the bony structures without attenuation. In additional to morphological information, NMR imaging provides additional diagnostic insights through relaxation parameters, which are not available from other imaging methods. In the decade since the first primitive NMR images were obtained, the quality of images now obtained approaches those from CT x-ray scanners. Prototype instruments are being constructed for clinical evaluation and the first whole-body scanners are beginning to appear on the market at costs comparable to CT scanners. Primary differences in equipment for conventional NMR and NMR imaging are the much larger aperture magnets that are required for the examination of human subjects and the addition of coils to generate field gradients and facilities for manipulating the gradients. Early results from clinical trials in many parts of the world are encouraging, and in a few years, the usefuleness of this modality of medical imaging to the medical profession in diagnosis and treatment of disease will be defined. 10 figures

  12. Dependence ofthe L-alanyl-L-alanine conformation on molecular charge determined from ab initio computations and NMR spectra

    Czech Academy of Sciences Publication Activity Database

    Sychrovský, Vladimír; Buděšínský, Miloš; Benda, Ladislav; Špirko, Vladimír; Vokáčová, Zuzana; Šebestík, Jaroslav; Bouř, Petr

    2008-01-01

    Roč. 112, č. 6 (2008), s. 1796-1805 ISSN 1520-6106 R&D Projects: GA ČR GA203/06/0420; GA ČR GA202/07/0732; GA AV ČR IAA400550702; GA AV ČR IAA400550701; GA MŠk LC512 Institutional research plan: CEZ:AV0Z40550506 Keywords : NMR * ab initio * dipeptide Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 4.189, year: 2008

  13. Applications of artificial intelligence techniques to organic chemistry. Study on 13C NMR of steroids using computer

    International Nuclear Information System (INIS)

    Lins, A.P.; Furlan, M.; Gastmans, G.P.; Emerenciano, V.P.

    1991-01-01

    This work describes the utilization of two groups of programs in searching for characteristic signals of NMR 13 C steroidal compounds. The first group of programs used data bases with the spectral data and a methodology that enables the choice and the search of substructures. The chemical shifts and multiplicities for each specific substructure are used as rules to identify different types and subtypes of steroidal compounds. The second one was built to apply the rules formulated by the first group of programs and to foresee any skeletal based on a spectral analysis. (author)

  14. Calculating the Response of NMR Shielding Tensor .sigma.(31P) and 2J(31P,13C) Coupling Constants in Nucleic Acid Phosphate to Coordination of the Mg2+Cation

    Czech Academy of Sciences Publication Activity Database

    Benda, Ladislav; Schneider, Bohdan; Sychrovský, Vladimír

    2011-01-01

    Roč. 115, č. 11 (2011), s. 2385-2395 ISSN 1089-5639 R&D Projects: GA AV ČR IAA400550701; GA ČR GAP205/10/0228 Institutional research plan: CEZ:AV0Z40550506; CEZ:AV0Z50520701 Keywords : nucleic acids * phosphate * NMR Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 2.946, year: 2011

  15. Muon shielding for PEP

    International Nuclear Information System (INIS)

    Jenkins, T.M.; Thomas, R.H.

    1974-01-01

    The first stage of construction of PEP will consist of electron and positron storage rings. At a later date a 200 GeV proton storage ring may be added. It is judicious therefore, to ensure that the first and second phases of construction are compatible with each other. One of several factors determining the elevation at which the storage rings will be constructed is the necessity to provide adequate radiation shielding. The overhead shielding of PEP is determined by the reproduction of neutrons in the hadron cascade generated by primary protons lost from the storage ring. The minimum overburden planned for PEP is 5.5 meters of earth (1100 gm cm/sup /minus/2/). To obtain a rough estimate of the magnitude of the muon radiation problem this note presents some preliminary calculations. Their purpose is intended merely to show that the presently proposed design for PEP will present no major shielding problems should the protons storage ring be installed. More detailed calculations will be made using muon yield computer codes developed at CERN and NAL and muon transport codes developed at SLAC, when details of the proton storage ring become settled. 9 refs., 4 figs

  16. URR [Unresolved Resonance Region] computer code: A code to calculate resonance neutron cross-section probability tables, Bondarenko self-shielding factors, and self-indication ratios for fissile and fertile nuclides

    International Nuclear Information System (INIS)

    Leal, L.C.; de Saussure, G.; Perez, R.B.

    1989-01-01

    The URR computer code has been developed to calculate cross-section probability tables, Bondarenko self-shielding factors, and self- indication ratios for fertile and fissile isotopes in the unresolved resonance region. Monte Carlo methods are utilized to select appropriate resonance parameters and to compute the cross sections at the desired reference energy. The neutron cross sections are calculated by the single-level Breit-Wigner formalism with s-, p-, and d-wave contributions. The cross-section probability tables are constructed by sampling the Doppler broadened cross-section. The various shelf-shielded factors are computed numerically as Lebesgue integrals over the cross-section probability tables. 6 refs

  17. Shield verification and validation action matrix summary

    International Nuclear Information System (INIS)

    Boman, C.

    1992-02-01

    WSRC-RP-90-26, Certification Plan for Reactor Analysis Computer Codes, describes a series of action items to be completed for certification of reactor analysis computer codes used in Technical Specifications development and for other safety and production support calculations. Validation and verification are integral part of the certification process. This document identifies the work performed and documentation generated to satisfy these action items for the SHIELD, SHLDED, GEDIT, GENPRT, FIPROD, FPCALC, and PROCES modules of the SHIELD system, it is not certification of the complete SHIELD system. Complete certification will follow at a later date. Each action item is discussed with the justification for its completion. Specific details of the work performed are not included in this document but can be found in the references. The validation and verification effort for the SHIELD, SHLDED, GEDIT, GENPRT, FIPROD, FPCALC, and PROCES modules of the SHIELD system computer code is completed

  18. Compact NMR

    Energy Technology Data Exchange (ETDEWEB)

    Bluemich, Bernhard; Haber-Pohlmeier, Sabina; Zia, Wasif [RWTH Aachen Univ. (Germany). Inst. fuer Technische und Makromolekulare Chemie (ITMC)

    2014-06-01

    Nuclear Magnetic Resonance (NMR) spectroscopy is the most popular method for chemists to analyze molecular structures, while Magnetic Resonance Imaging (MRI) is a non-invasive diagnostic tool for medical doctors that provides high-contrast images of biological tissue. In both applications, the sample (or patient) is positioned inside a large, superconducting magnet to magnetize the atomic nuclei. Interrogating radio-frequency pulses result in frequency spectra that provide the chemist with molecular information, the medical doctor with anatomic images, and materials scientist with NMR relaxation parameters. Recent advances in magnet technology have led to a variety of small permanent magnets to allow compact and low-cost instruments. The goal of this book is to provide an introduction to the practical use of compact NMR at a level nearly as basic as the operation of a smart phone.

  19. About the Scythian Shields

    Directory of Open Access Journals (Sweden)

    About the Scythian Shields

    2017-10-01

    Full Text Available Shields played major role in the armament system of the Scythians. Made from organic materials, they are poorly traced on the materials of archaeological excavations. Besides, scaly surface of shields was often perceived in practice as the remnants of the scaly armor. E. V. Chernenko was able to discern the difference between shields’ scaly plates and armor scales. The top edge of the scales was bent inwards, and shield plates had a wire fixation. These observations let significantly increase the number of shields, found in the burial complexes of the Scythians. The comparison of archaeological materials and the images of Scythian warriors allow distinguishing the main forms of Scythian shields. All shields are divided into fencing shields and cover shields. The fencing shields include round wooden shields, reinforced with bronze sheet, and round moon-shaped shields with a notch at the top, with a metal scaly surface. They came to the Scythians under the Greek influence and are known in the monuments of the 4th century BC. Oval shields with scaly surface (back cover shields were used by the Scythian cavalry. They protected the rider in case of frontal attack, and moved back in case of maneuver or closein fighting. Scythian battle tactics were based on rapid approaching the enemy and throwing spears and further rapid withdrawal. Spears stuck in the shields of enemies, forcing them to drop the shields, uncover, and in this stage of the battle the archers attacked the disorganized ranks of the enemy. That was followed by the stage of close fight. Oval form of a wooden shield with leather covering was used by the Scythian infantry and spearmen. Rectangular shields, including wooden shields and the shields pleached from rods, represented a special category. The top of such shield was made of wood, and a pleached pad on leather basis was attached to it. This shield could be a reliable protection from arrows, but it could not protect against javelins

  20. NMR and computer modelling conformational study of N-benzyl, N-n-propyl (2-methyl-3-nitrophenyl)acetamide

    International Nuclear Information System (INIS)

    Nicolle, E.; Benoit-Guyod, M.; Namil, A.; Cussac, M.; Leclerc, G.; Maldivi, P.

    1995-01-01

    The conformation of N-benzyl-N-n-propyl (2-methyl-3-nitrophenyl) acetamide 1 in dimethyl sulfoxide (DMSO-d 6 ) or chloroform (CDCL 3 ) solution was studied using 1 H and 13 CNMR analysis. In solution, 1 existed as two distinct Z and E isomers, which could not be separated at laboratory temperature. Both conformations were in equivalent proportions in chloroform whereas in a polar solvent (DMSO), the conformation Z was more usual with the aromatic rings in a transposition. Major and minor rotation isomers were assigned form the '1H and 13 C NMR chemical shifts determined at 293 K. Separate treatment of signals displayed by two different methylene groups gave comparable activation parameters (ΔG ∼ 16 kcal/mol). Conformational analysis and measurement of the rotational barrier between the E and Z conformers by molecular modeling (Sybyl program) were performed. (authors). 14 refs., 8 figs

  1. Radiation dose reduction by water shield

    International Nuclear Information System (INIS)

    Zeb, J.; Arshed, W.; Ahmad, S.S.

    2007-06-01

    This report is an operational manual of shielding software W-Shielder, developed at Health Physics Division (HPD), Pakistan Institute of Nuclear Science and Technology (PINSTECH), Pakistan Atomic Energy Commission. The software estimates shielding thickness for photons having their energy in the range 0.5 to 10 MeV. To compute the shield thickness, self absorption in the source has been neglected and the source has been assumed as a point source. Water is used as a shielding material in this software. The software is helpful in estimating the water thickness for safe handling, storage of gamma emitting radionuclide. (author)

  2. A resorcinarene-based “turn-off” fluorescence sensor for 4-nitrotoluene: Insights from fluorescence and {sup 1}H NMR titration with computational approach

    Energy Technology Data Exchange (ETDEWEB)

    Panchal, Urvi; Modi, Krunal; Dey, Shuvankar; Prajapati, Usha [Department of Chemistry, University School of Sciences, Gujarat University, Ahmedabad 380009, Gujarat (India); Patel, Chirag [Department of Bioinformatics, Applied Botany Centre (ABC), University School of Sciences, Gujarat University, Ahmedabad 380009, Gujarat (India); Jain, V.K., E-mail: drvkjain@hotmail.com [Department of Chemistry, University School of Sciences, Gujarat University, Ahmedabad 380009, Gujarat (India)

    2017-04-15

    A new Tetra-Methoxy Resorcinarene-N-(2-ethyl) Phthalimide (TMRN2Ph) has been synthesized for the selective and sensitive recognition of 4-nitrotoluene (4-NT) among various nitroaromatic compounds (NACs) by using a spectrofluorimetric method. Strong quenching in the fluorescence intensity of TMRN2Ph was displayed upon the addition of 4-NT in the linear concentration range of 50 µM to 1 mM. The complexation between TMRN2Ph and 4-NT is supported by ESI-MS and {sup 1}H NMR analysis. The complex of TMRN2Ph with 4-NT has been investigated by computational methods such as molecular docking and molecular dynamics to determine the binding interactions and conformational changes. The detection of 4-NT from a water sample has also been performed successfully.

  3. A new Schiff base compound N,N'-(2,2-dimetylpropane)-bis(dihydroxylacetophenone): synthesis, experimental and theoretical studies on its crystal structure, FTIR, UV-visible, 1H NMR and 13C NMR spectra.

    Science.gov (United States)

    Saheb, Vahid; Sheikhshoaie, Iran

    2011-10-15

    The Schiff base compound, N,N'-(2,2-dimetylpropane)-bis(dihydroxylacetophenone) (NDHA) is synthesized through the condensation of 2-hydroxylacetophenone and 2,2-dimethyl 1,3-amino propane in methanol at ambient temperature. The yellow crystalline precipitate is used for X-ray single-crystal determination and measuring Fourier transform infrared (FTIR), UV-visible, (1)H NMR and (13)C NMR spectra. Electronic structure calculations at the B3LYP, PBEPBE and PW91PW91 levels of theory are performed to optimize the molecular geometry and to calculate the FTIR, (1)H NMR and (13)C NMR spectra of the compound. Time-dependent density functional theory (TDDFT) method is used to calculate the UV-visible spectrum of NDHA. Vibrational frequencies are determined experimentally and compared with those obtained theoretically. Vibrational assignments and analysis of the fundamental modes of the compound are also performed. All theoretical methods can well reproduce the structure of the compound. The (1)H NMR and (13)C NMR chemical shifts calculated by all DFT methods are consistent with the experimental data. However, the NMR shielding tensors computed at the B3LYP/6-31+G(d,p) level of theory are in better agreement with experimental (1)H NMR and (13)C NMR spectra. The electronic absorption spectrum calculated at the B3LYP/6-31+G(d,p) level by using TD-DFT method is in accordance with the observed UV-visible spectrum of NDHA. In addition, some quantum descriptors of the molecule are calculated and conformational analysis is performed and the results were compared with the crystallographic data. Copyright © 2011 Elsevier B.V. All rights reserved.

  4. Radiation shielding device

    International Nuclear Information System (INIS)

    Nakagawa, Takahiro; Yamagami, Makoto.

    1996-01-01

    A fixed shielding member made of a radiation shielding material is constituted in perpendicular to an opening formed on radiation shielding walls. The fixed shielding member has one side opened and has other side, the upper portion and the lower portion disposed in close contact with the radiation shielding walls. Movable shielding members made of a radiation shielding material are each disposed openably on both side of the fixed shielding member. The movable shielding member has a shaft as a fulcrum on one side thereof for connecting it to the radiation shielding walls. The other side has a handle attached for opening/closing the movable shielding member. Upon access of an operator, when each one of the movable shielding members is opened/closed on every time, leakage of linear or scattered radiation can be prevented. Even when both of the movable shielding members are opened simultaneously, the fixed shielding member and the movable shielding members form labyrinth to prevent leakage of linear radioactivity. (I.N.)

  5. Perturbed Angular Correlation (PAC)/NMR spectroscopic properties and dynamics of compounds containing metal ions

    DEFF Research Database (Denmark)

    Arcisauskaité, Vaida

    have been used to elucidate Hg coordination in proteins. Computational chemistry calculations have a potential to contribute to the interpretation of this spectroscopic data, as calculated diagonalised electric field gradient (EFG) tensor components (jVzzj jVyyj jVxxj) and NMR shielding constants...... steps towards understanding how Zn(II) reaches its target position in biological systems in vivo and in vitro experiments in aqueous solution, is the detailed investigation of water exchange reactions for Zn(II)(aq). A very advanced (albeit not complete) picture of structure and dynamics of solvated Zn...

  6. Predicted NMR properties of noble gas hydride cations RgH +

    Science.gov (United States)

    Cukras, Janusz; Sadlej, Joanna

    2008-12-01

    The NMR shielding constants and, for the first time, the spin-spin coupling constants of Rg and H in RgH + compounds for Rg = Ne, Ar, Kr, Xe have been investigated by non-relativistic Hartree-Fock (HF) and relativistic Dirac-Hartree-Fock (DHF) methods. Electron-correlation effects have been furthermore calculated using SOPPA and CCSD at the non-relativistic level. The correlation effects are large on both parameters and opposite to the relativistic effects. The results indicate that both the relativistic and correlation effects need to be taken into account in a quantitative computations, especially in the case of the spin-spin coupling constants.

  7. Pure and carbon-doped boron phosphide (6,0) zigzag nanotube: A computational NMR study

    Energy Technology Data Exchange (ETDEWEB)

    Arshadi, S., E-mail: sattar_arshadi@yahoo.com [Department of Chemistry, Payame Noor University, 19395-4697, I.R. of Iran (Iran, Islamic Republic of); Bekhradnia, A.R., E-mail: abekhradnia@gmail.com [Pharmaceutical Sciences Research Center, Department of Medicinal Chemistry, Mazandaran University of Medical Sciences, Sari (Iran, Islamic Republic of); Department of Chemistry and Molecular Biology, Gothenburg University, Gothenburg (Sweden); Alipour, F.; Abedini, S. [Department of Chemistry, Payame Noor University, 19395-4697, I.R. of Iran (Iran, Islamic Republic of)

    2015-11-15

    Calculations were performed for investigation of the properties of the electronic structure of Carbon- Doped Boron Phosphide Nanotube (CDBPNT). Pristine and three models of C-doped structures of (6,0) zigzag BPNT were studied at density functional theory (DFT) in combination with 6-311G* basis set using Gaussian package of program. The calculated parameters reveal that various {sup 11}B and {sup 31}P nuclei are divided into some layers with equivalent electrostatic properties. The electronic structure properties are highly influenced by replacement of {sup 11}B and {sup 31}P atoms by {sup 12}C atoms in pristine model. Furthermore, the HOMO−LUMO gap energy for suggested doped models (I), (II) and (III) were lower than pure BPNT pristine systems. The dipole moment values of models (II) and (III) were decreased to 1.788 and 1.789, respectively while the dipole moments of model (I) were enhanced to 4.373, in compare to pure pristine one (2.586). The magnitude of changes in Chemical Shielding (CS) tensor parameters revealed that the electron density at the site of {sup 31}P was higher than that at the site of {sup 11}B due to carbon doping.

  8. Shielding Calculations for PUSPATI TRIGA Reactor (RTP) Fuel Transfer Cask with Micro shield

    International Nuclear Information System (INIS)

    Nurhayati Ramli; Ahmad Nabil Abdul Rahim; Ariff Shah Ismail

    2011-01-01

    The shielding calculations for RTP fuel transfer cask was performed by using computer code Micro shield 7.02. Micro shield is a computer code designed to provide a model to be used for shielding calculations. The results of the calculations can be obtained fast but the code is not suitable for complex geometries with a shielding composed of more than one material. Nevertheless, the program is sufficient for As Low As Reasonable Achievable (ALARA) optimization calculations. In this calculation, a geometry based on the conceptual design of RTP fuel transfer cask was modeled. Shielding material used in the calculations were lead (Pb) and stainless steel 304 (SS304). The results obtained from these calculations are discussed in this paper. (author)

  9. Vibrational, NMR and UV-visible spectroscopic investigation and NLO studies on benzaldehyde thiosemicarbazone using computational calculations

    Science.gov (United States)

    Moorthy, N.; Prabakar, P. C. Jobe; Ramalingam, S.; Pandian, G. V.; Anbusrinivasan, P.

    2016-04-01

    In order to investigate the vibrational, electronic and NLO characteristics of the compound; benzaldehyde thiosemicarbazone (BTSC), the XRD, FT-IR, FT-Raman, NMR and UV-visible spectra were recorded and were analysed with the calculated spectra by using HF and B3LYP methods with 6-311++G(d,p) basis set. The XRD results revealed that the stabilized molecular systems were confined in orthorhombic unit cell system. The cause for the change of chemical and physical properties behind the compound has been discussed makes use of Mulliken charge levels and NBO in detail. The shift of molecular vibrational pattern by the fusing of ligand; thiosemicarbazone group with benzaldehyde has been keenly observed. The occurrence of in phase and out of phase molecular interaction over the frontier molecular orbitals was determined to evaluate the degeneracy of the electronic energy levels. The thermodynamical studies of the temperature region 100-1000 K to detect the thermal stabilization of the crystal phase of the compound were investigated. The NLO properties were evaluated by the determination of the polarizability and hyperpolarizability of the compound in crystal phase. The physical stabilization of the geometry of the compound has been explained by geometry deformation analysis.

  10. An improved synthesis, spectroscopic (FT-IR, NMR) study and DFT computational analysis (IR, NMR, UV-Vis, MEP diagrams, NBO, NLO, FMO) of the 1,5-methanoazocino[4,3-b]indole core structure

    Science.gov (United States)

    Uludağ, Nesimi; Serdaroğlu, Goncagül

    2018-03-01

    This study examines the synthesis of azocino[4,3-b]indole structure, which constitutes the tetracyclic framework of uleine, dasycarpidoneand tubifolidineas well as ABDE substructure of the strychnosalkaloid family. It has been synthesized by Fischer indolization of 2 and through the cylization of 4 by 2,3-dichlor-5-6-dicyanobenzoquinone (DDQ). 1H and 1C NMR chemical shifts have been predicted with GIAO approach and the calculated chemical shifts show very good agreement with observed shifts. FT-IR spectroscopy is important for the analysis of functional groups of synthesized compounds and we also supported FT-IR vibrational analysis with computational IR analysis. The vibrational spectral analysis was performed at B3LYP level of the theory in both the gas and the water phases and it was compared with the observed IR values for the important functional groups. The DFT calculations have been conducted to determine the most stable structure of the 1,2,3,4,5,6,7-Hexahydro-1,5-methanoazocino [4,3-b] indole (5). The Frontier Molecular Orbital Analysis, quantum chemical parameters, physicochemical properties have been predicted by using the same theory of level in both gas phase and the water phase, at 631 + g** and 6311++g** basis sets. TD- DFT calculations have been performed to predict the UV- Vis spectral analysis for this synthesized molecule. The Natural Bond Orbital (NBO) analysis have been performed at B3LYP level of theory to elucidate the intra-molecular interactions such as electron delocalization and conjugative interactions. NLO calculations were conducted to obtain the electric dipole moment and polarizability of the title compound.

  11. NMR imaging

    International Nuclear Information System (INIS)

    Ouchi, Toshihiro; Steiner, R.E.

    1984-01-01

    Three epidermoid and two dermoid tumours, pathologically proven, were examined by NMR and CT scans. Although most brain tumours have a low signal with a long T 1 , a dermoid cyst and one of the two components of the other dermoid tumour had a high signal and therefore a short T 1 . All three epidermoid tumours had a low signal and a long T 1 . Because of the high level contrast between some of the tumours and cerebrospinal fluid, NMR is helpful to detect the lesion. Neither of the liquid fluid levels in the tumour cysts or floating fat in the subarachnoid space was recognized in one patients, but the fine leakage of the content from the epidermoid cyst into the lateral ventricle was detected on a saturation recovery 1000 image in one case. (author)

  12. Radiation shielding activities at the OECD/Nuclear Energy Agency

    International Nuclear Information System (INIS)

    Sartori, Enrico; Vaz, Pedro

    2000-01-01

    The OECD Nuclear Energy Agency (NEA) has devoted considerable effort over the years to radiation shielding issues. The issues are addressed through international working groups. These activities are carried out in close co-ordination and co-operation with the Radiation Safety Information Computational Center (RSICC). The areas of work include: basic nuclear data activities in support of radiation shielding, computer codes, shipping cask shielding applications, reactor pressure vessel dosimetry, shielding experiments database. The method of work includes organising international code comparison exercises and benchmark studies. Training courses on radiation shielding computer codes are organised regularly including hands-on experience in modelling skills. The scope of the activity covers mainly reactor shields and spent fuel transportation packages, but also fusion neutronics and in particular shielding of accelerators and irradiation facilities. (author)

  13. Reassigning the Structures of Natural Products Using NMR Chemical Shifts Computed with Quantum Mechanics: A Laboratory Exercise

    Science.gov (United States)

    Palazzo, Teresa A.; Truong, Tiana T.; Wong, Shirley M. T.; Mack, Emma T.; Lodewyk, Michael W.; Harrison, Jason G.; Gamage, R. Alan; Siegel, Justin B.; Kurth, Mark J.; Tantillo, Dean J.

    2015-01-01

    An applied computational chemistry laboratory exercise is described in which students use modern quantum chemical calculations of chemical shifts to assign the structure of a recently isolated natural product. A pre/post assessment was used to measure student learning gains and verify that students demonstrated proficiency of key learning…

  14. Handout on shielding calculation

    International Nuclear Information System (INIS)

    Heilbron Filho, P.F.L.

    1991-01-01

    In order to avoid the difficulties of the radioprotection supervisors in the tasks related to shielding calculations, is presented in this paper the basic concepts of shielding theory. It also includes exercises and examples. (author)

  15. Electromagnetically shielded building

    International Nuclear Information System (INIS)

    Takahashi, T.; Nakamura, M.; Yabana, Y.; Ishikawa, T.; Nagata, K.

    1992-01-01

    This invention relates to a building having an electromagnetic shield structure well-suited for application to an information network system utilizing electromagnetic waves, and more particularly to an electromagnetically shielded building for enhancing the electromagnetic shielding performance of an external wall. 6 figs

  16. Electromagnetically shielded building

    Energy Technology Data Exchange (ETDEWEB)

    Takahashi, T; Nakamura, M; Yabana, Y; Ishikawa, T; Nagata, K

    1992-04-21

    This invention relates to a building having an electromagnetic shield structure well-suited for application to an information network system utilizing electromagnetic waves, and more particularly to an electromagnetically shielded building for enhancing the electromagnetic shielding performance of an external wall. 6 figs.

  17. PC based temporary shielding administrative procedure (TSAP)

    International Nuclear Information System (INIS)

    Olsen, D.E.; Pederson, G.E.; Hamby, P.N.

    1995-01-01

    A completely new Administrative Procedure for temporary shielding was developed for use at Commonwealth Edison's six nuclear stations. This procedure promotes the use of shielding, and addresses industry requirements for the use and control of temporary shielding. The importance of an effective procedure has increased since more temporary shielding is being used as ALARA goals become more ambitious. To help implement the administrative procedure, a personal computer software program was written to incorporate the procedural requirements. This software incorporates the useability of a Windows graphical user interface with extensive help and database features. This combination of a comprehensive administrative procedure and user friendly software promotes the effective use and management of temporary shielding while ensuring that industry requirements are met

  18. PC based temporary shielding administrative procedure (TSAP)

    Energy Technology Data Exchange (ETDEWEB)

    Olsen, D.E.; Pederson, G.E. [Sargent & Lundy, Chicago, IL (United States); Hamby, P.N. [Commonwealth Edison Co., Downers Grove, IL (United States)

    1995-03-01

    A completely new Administrative Procedure for temporary shielding was developed for use at Commonwealth Edison`s six nuclear stations. This procedure promotes the use of shielding, and addresses industry requirements for the use and control of temporary shielding. The importance of an effective procedure has increased since more temporary shielding is being used as ALARA goals become more ambitious. To help implement the administrative procedure, a personal computer software program was written to incorporate the procedural requirements. This software incorporates the useability of a Windows graphical user interface with extensive help and database features. This combination of a comprehensive administrative procedure and user friendly software promotes the effective use and management of temporary shielding while ensuring that industry requirements are met.

  19. Integrative NMR for biomolecular research

    International Nuclear Information System (INIS)

    Lee, Woonghee; Cornilescu, Gabriel; Dashti, Hesam; Eghbalnia, Hamid R.; Tonelli, Marco; Westler, William M.; Butcher, Samuel E.; Henzler-Wildman, Katherine A.; Markley, John L.

    2016-01-01

    NMR spectroscopy is a powerful technique for determining structural and functional features of biomolecules in physiological solution as well as for observing their intermolecular interactions in real-time. However, complex steps associated with its practice have made the approach daunting for non-specialists. We introduce an NMR platform that makes biomolecular NMR spectroscopy much more accessible by integrating tools, databases, web services, and video tutorials that can be launched by simple installation of NMRFAM software packages or using a cross-platform virtual machine that can be run on any standard laptop or desktop computer. The software package can be downloaded freely from the NMRFAM software download page ( http://pine.nmrfam.wisc.edu/download-packages.html http://pine.nmrfam.wisc.edu/download_packages.html ), and detailed instructions are available from the Integrative NMR Video Tutorial page ( http://pine.nmrfam.wisc.edu/integrative.html http://pine.nmrfam.wisc.edu/integrative.html ).

  20. Integrative NMR for biomolecular research

    Energy Technology Data Exchange (ETDEWEB)

    Lee, Woonghee, E-mail: whlee@nmrfam.wisc.edu; Cornilescu, Gabriel; Dashti, Hesam; Eghbalnia, Hamid R.; Tonelli, Marco; Westler, William M.; Butcher, Samuel E.; Henzler-Wildman, Katherine A.; Markley, John L., E-mail: markley@nmrfam.wisc.edu [University of Wisconsin-Madison, National Magnetic Resonance Facility at Madison and Biochemistry Department (United States)

    2016-04-15

    NMR spectroscopy is a powerful technique for determining structural and functional features of biomolecules in physiological solution as well as for observing their intermolecular interactions in real-time. However, complex steps associated with its practice have made the approach daunting for non-specialists. We introduce an NMR platform that makes biomolecular NMR spectroscopy much more accessible by integrating tools, databases, web services, and video tutorials that can be launched by simple installation of NMRFAM software packages or using a cross-platform virtual machine that can be run on any standard laptop or desktop computer. The software package can be downloaded freely from the NMRFAM software download page ( http://pine.nmrfam.wisc.edu/download-packages.html http://pine.nmrfam.wisc.edu/download{sub p}ackages.html ), and detailed instructions are available from the Integrative NMR Video Tutorial page ( http://pine.nmrfam.wisc.edu/integrative.html http://pine.nmrfam.wisc.edu/integrative.html ).

  1. Electromagnetic shielding formulae

    International Nuclear Information System (INIS)

    Dahlberg, E.

    1979-02-01

    This addendum to an earlier collection of electromagnetic shielding formulae (TRITA-EPP-75-27) contains simple transfer matrices suitable for calculating the quasistatic shielding efficiency for multiple transverse-field and axial-field cylindrical and spherical shields, as well as for estimating leakage fields from long coaxial cables and the normal-incidence transmission of a plane wave through a multiple plane shield. The differences and similarities between these cases are illustrated by means of equivalent circuits and transmission line analogies. The addendum also includes a discussion of a possible heuristic improvement of some shielding formulae. (author)

  2. The Active Muon Shield

    CERN Document Server

    Bezshyiko, Iaroslava

    2016-01-01

    In the SHiP beam-dump of the order of 1011 muons will be produced per second. An active muon-shield is used to magnetically deflect these muons out of the acceptance of the spectrom- eter. This note describes how this shield is modelled and optimized. The SHiP spectrometer is being re-optimized using a conical decay-vessel, and utilizing the possibility to magnetize part of the beam-dump shielding iron. A shield adapted to these new conditions is presented which is significantly shorter and lighter than the shield used in the Technical Proposal (TP), while showing a similar performance.

  3. NMR spectroscopy

    International Nuclear Information System (INIS)

    Gruenert, J.

    1989-01-01

    The book reviews the applications of NMR-spectroscopy in medicine and biology. The first chapter of about 40 pages summarizes the history of development and explains the chemical and physical fundamentals of this new and non-invasive method in an easily comprehensible manner. The other chapters summarize diagnostic results obtained with this method in organs and tissues, so that the reader will find a systematic overview of the available findings obtained in the various organ systems. It must be noted, however, that ongoing research work and new insight quite naturally will necessitate corrections to be done, as is the case here with some biochemical interpretations which would need adjustment to latest research results. NMR-spectroscopy is able to measure very fine energy differences on the molecular level, and thus offers insight into metabolic processes, with the advantage that there is no need of applying ionizing radiation in order to qualitatively or quantitatively analyse the metabolic processes in the various organ systems. (orig./DG) With 40 figs., 4 tabs [de

  4. Shielding calculational system for plutonium

    International Nuclear Information System (INIS)

    Zimmerman, M.G.; Thomsen, D.H.

    1975-08-01

    A computer calculational system has been developed and assembled specifically for calculating dose rates in AEC plutonium fabrication facilities. The system consists of two computer codes and all nuclear data necessary for calculation of neutron and gamma dose rates from plutonium. The codes include the multigroup version of the Battelle Monte Carlo code for solution of general neutron and gamma shielding problems and the PUSHLD code for solution of shielding problems where low energy gamma and x-rays are important. The nuclear data consists of built in neutron and gamma yields and spectra for various plutonium compounds, an automatic calculation of age effects and all cross-sections commonly used. Experimental correlations have been performed to verify portions of the calculational system. (23 tables, 7 figs, 16 refs) (U.S.)

  5. Wake Shield Target Protection

    International Nuclear Information System (INIS)

    Valmianski, Emanuil I.; Petzoldt, Ronald W.; Alexander, Neil B.

    2003-01-01

    The heat flux from both gas convection and chamber radiation on a direct drive target must be limited to avoid target damage from excessive D-T temperature increase. One of the possibilities of protecting the target is a wake shield flying in front of the target. A shield will also reduce drag force on the target, thereby facilitating target tracking and position prediction. A Direct Simulation Monte Carlo (DSMC) code was used to calculate convection heat loads as boundary conditions input into ANSYS thermal calculations. These were used for studying the quality of target protection depending on various shapes of shields, target-shield distance, and protective properties of the shield moving relative to the target. The results show that the shield can reduce the convective heat flux by a factor of 2 to 5 depending on pressure, temperature, and velocity. The protective effect of a shield moving relative to the target is greater than the protective properties of a fixed shield. However, the protective effect of a shield moving under the drag force is not sufficient for bringing the heat load on the target down to the necessary limit. Some other ways of diminishing heat flux using a protective shield are discussed

  6. Radiation shielding of the main injector

    International Nuclear Information System (INIS)

    Bhat, C.M.; Martin, P.S.

    1995-05-01

    The radiation shielding in the Fermilab Main Injector (FMI) complex has been carried out by adopting a number of prescribed stringent guidelines established by a previous safety analysis. Determination of the required amount of radiation shielding at various locations of the FMI has been done using Monte Carlo computations. A three dimensional ray tracing code as well as a code based upon empirical observations have been employed in certain cases

  7. Recent trends in radiation shielding: a RSIC perspective

    International Nuclear Information System (INIS)

    Trubey, D.K.; Roussin, R.W.; Maskewitz, B.F.

    1979-01-01

    The subject of radiation transport and shielding in the nuclear power industry is reviewed, and advances in the state of the art are described. These fall into the areas of computational methods, nuclear cross sections, industry practices, and standards. Computer codes and data available from the Radiation Shielding Information Center (RSIC) representing recent advances are also described

  8. Radiation shielding concrete

    International Nuclear Information System (INIS)

    Kunishima, Shigeru.

    1990-01-01

    The radiation shielding concretes comprise water, cement, fine aggregates consisting of serpentines and blown mist slags, coarse aggregates consisting of serpentines and kneading materials. Since serpentines containing a relatively great amount of water of crystallization in rocks as coarse aggregates and fine aggregates, the hydrogen content in the radiation shielding concretes is increased and the neutron shielding effect is improved. In addition, since serpentines are added as the fine aggregates and blown mists slags of a great specific gravity are used, the specific gravity of the shielding concretes is increased to improve the γ-ray shielding effect. Further, by the use of the kneading material having a water reducing effect and fluidizing effect, and by the bearing effect of the spherical blown mist slags used as the fine aggregates, concrete fluidity can be increased. Accordingly, workability of the radiation shielding concretes can be improved. (T.M.)

  9. Shielding concerns at a spallation source

    International Nuclear Information System (INIS)

    Russell, G.J.; Robinson, H.; Legate, G.L.; Woods, R.

    1989-01-01

    Neutrons produced by 800-MeV proton reactions at the Los Alamos Neutron Scattering Center spallation neutron source cause a variety of challenging shielding problems. We identify several characteristics distinctly different from reactor shielding and compute the dose attenuation through an infinite slab/shield composed of iron (100 cm) and borated polyethylene (15 cm). Our calculations show that (for an incident spallation spectrum characteristic of neutrons leaking from a tungsten target at 90/degree/) the dose through the shield is a complex mixture of neutrons and gamma rays. High-energy (> 20 MeV) neutron production from the target is ≅5% of the total, yet causes ≅68% of the dose at the shield surface. Primary low-energy (< 20 MeV) neutrons from the target contribute negligibly (≅0.5%) to the dose at the shield surface yet cause gamma rays, which contribute ≅31% to the total dose at the shield surface. Low-energy neutrons from spallation reactions behave similarly to neutrons with a fission spectrum distribution. 6 refs., 8 figs., 1 tab

  10. INTOR radiation shielding for personnel access

    International Nuclear Information System (INIS)

    Gohar, Y.; Abdou, M.

    1981-01-01

    The INTOR reactor shield system consists of the blanket, bulk shield, penetration shield, component shield, and biological shield. The bulk shield consists of two parts: (a) the inboard shield; and (b) the outboard shield. The distinction between the different components of the shield system is essential to satisfy the different design constraints and achieve various objectives

  11. Shielded regenerative neutron detector

    International Nuclear Information System (INIS)

    Terhune, J.H.; Neissel, J.P.

    1978-01-01

    An ion chamber type neutron detector is disclosed which has a greatly extended lifespan. The detector includes a fission chamber containing a mixture of active and breeding material and a neutron shielding material. The breeding and shielding materials are selected to have similar or substantially matching neutron capture cross-sections so that their individual effects on increased detector life are mutually enhanced

  12. Radiation shielding plate

    International Nuclear Information System (INIS)

    Kobayashi, Torakichi; Sugawara, Takeo.

    1983-01-01

    Purpose: To reduce the weight and stabilize the configuration of a radiation shielding plate which is used in close contact with an object to be irradiated with radiation rays. Constitution: The radiation shielding plate comprises a substrate made of lead glass and a metallic lead coating on the surface of the substrate by means of plating, vapor deposition or the like. Apertures for permeating radiation rays are formed to the radiation shielding plate. Since the shielding plate is based on a lead glass plate, a sufficient mechanical strength can be obtained with a thinner structure as compared with the conventional plate made of metallic lead. Accordingly, if the shielding plate is disposed on a soft object to be irradiated with radiation rays, the object and the plate itself less deform to obtain a radiation irradiation pattern with distinct edges. (Moriyama, K.)

  13. Status report of shielding investigation in Japan

    International Nuclear Information System (INIS)

    Shindo, M.

    1964-01-01

    The Japan Atomic Energy Research Institute (JAERI) was established in 1954, and immediately proceeded with the construction of a research reactor. The first symposium in Japan on nuclear energy was held in 1957. Most of the papers presented in the field of reactor shielding were limited to shielding materials and their fabrication. In the first stage of our investigations, our efforts were devoted to practical design studies of reactor shielding. As a result of these studies, it was found that the formulae at hand for calculations were inadequate, but at that time no electronic computer was available in Japan nor were theoretical calculations very actively undertaken. Problems on nuclear ship shielding had been investigated at the Ship Research Institute, since 1956 and many fruitful results had been obtained. About that time the Japan Atomic Industry Forum started activities and took the initiative in organizing shielding research. Research workers in the shipbuilding industry in particular have been seriously studying shielding problems. Few years after the first symposium, problems concerning more fundamental studies were treated by many research workers. Shielding experiments using radioisotopes were carried out and many fruitful results were obtained. They are described in the this paper. Medium size electronic computers became available in Japan, permitting a theoretical study group to make an active contribution. They produced some codes, and their results are also described in the following sections. This constituted the second stage of our investigations. A swimming-pool reactor, JRR-4 (Japan Research Reactor-4), has been under construction at JAERI since 1962 and will become critical in autumn 1964. After characteristic tests it will be a very powerful tool for the shielding investigations. This id the beginning of the third stage of investigations

  14. Computational NMR, IR/RAMAN calculations in sodium pravastatin: Investigation of the Self-Assembled Nanostructure of Pravastatin-LDH (Layered Double Hydroxides) Systems

    Science.gov (United States)

    Petersen, Philippe; Cunha, Vanessa; Gonçalves, Marcos; Petrilli, Helena; Constantino, Vera; Instituto de Física, Departamento de Física de Materiais e Mecânica Team; Instituto de Química, Departamento de Química Fundamental Team

    2013-03-01

    Layered double hydroxides (LDH) can be used as nanocontainers for immobilization of Pravastatin, in order to obtain suitable drug carriers. The material's structure and spectroscopic properties were analyzed by NMR, IR/RAMAN and supported by theoretical calculations. Density Functional Theory (DFT) calculations were performed using the Gaussian03 package. The geometry optimizations were performed considering the single crystal X-ray diffraction data of tert-octylamonium salt of Pravastatin. Tetramethylsilane (TMS), obtained with the same basis set, was used as reference for calculating the chemical shift of 13C. A scaling factor was used to compare theoretical and experimental harmonic vibrational frequencies. Through the NMR and IR/RAMAN spectra, we were able to make precise assignments of the NMR and IR/RAMAN of Sodium Pravastatin. We acknowledge support from CAPES, INEO and CNPQ.

  15. Nuclear magnetic shielding tensors of 207Pb2+ in Pb(NO3)2

    International Nuclear Information System (INIS)

    Lutz, O.; Nolle, A.

    1980-01-01

    The NMR signals of 207 Pb were observed in a single crystal of Pb(NO 3 ) 2 and could be assigned to the four different Pb 2+ sites by the dependence of the linewidths on the orientation. Four different nuclear magnetic shielding tensors with equal principal values but with different characteristic vectors could be determined. The symmetry of the shielding tensors is in agreement with the symmetry at the Pb 2+ sites. It is shown, that intermolecular contributions can not account for the anisotropy of the nuclear magnetic shielding, which is 3 0 / 00 of the isotropic absolute magnetic shielding. (orig.)

  16. Conformational Analysis of Indole Alkaloids Corynantheine and Dihydrocorynantheine by Dynamic 1H NMR Spectroscopy and Computational Methods: Steric Effects of Ethyl vs Vinyl Group

    DEFF Research Database (Denmark)

    Stærk, Dan; Norrby, Per-Ola; Jaroszewski, Jerzy W.

    2001-01-01

    H-1 NMR (400 MHz) spectra of the indole alkaloid dihydrocorynantheine recorded at room temperature show the presence of two conformers near coalescence. Low temperature H-1 NMR allowed characterization of the conformational equilibrium, which involves rotation of the 3-methoxypropenoate side chain...... bulk of the vinyl and the ethyl group. The conformational equilibria involving the side chain rotation as well as inversion of the bridgehead nitrogen in corynantheine and dihydrocorynantheine was studied by force-field (Amber(*) and MMFF) and ab initio (density-functional theory at the B3LYP/6-31G...

  17. HPGe detector shielding adjustment

    International Nuclear Information System (INIS)

    Trnkova, L.; Rulik, P.

    2008-01-01

    Low-level background shielding of HPGe detectors is used mainly for environmental samples with very low content of radionuclides. National Radiation Protection Institute (SURO) in Prague is equipped with 14 HPGe detectors with relative efficiency up to 150%. The detectors are placed in a room built from materials with low content of natural radionuclides and equipped with a double isolation of the floor against radon. Detectors themselves are placed in lead or steel shielding. Steel shielding with one of these detectors with relative efficiency of 100% was chosen to be rebuilt to achieve lower minimum detectable activity (MDA). Additional lead and copper shielding was built up inside the original steel shielding to reduce the volume of the inner space and filled with nitrogen by means of evaporating liquid nitrogen. The additional lead and copper shielding, consequent reduction of the inner volume and supply of evaporated nitrogen, caused a decrease of the background count and accordingly MDA values as well. The effect of nitrogen evaporation on the net areas of peaks belonging to radon daughters is significant. The enhanced shielding adjustment has the biggest influence in low energy range, what can be seen in collected data. MDA values in energy range from 30 keV to 400 keV decreased to 0.65-0.85 of original value, in energy range from 400 keV to 2 MeV they fell to 0.70-0.97 of original value. (authors)

  18. Shielding in experimental areas

    International Nuclear Information System (INIS)

    Stevens, A.; Tarnopolsky, G.; Thorndike, A.; White, S.

    1979-01-01

    The amount of shielding necessary to protect experimental detectors from various sources of background radiation is discussed. As illustrated an experiment has line of sight to sources extending approx. 90 m upstream from the intersection point. Packing a significant fraction of this space with shielding blocks would in general be unacceptable because primary access to the ring tunnel is from the experimental halls. (1) From basic machine design considerations and the inherent necessity to protect superconducting magnets it is expected that experimental areas in general will be cleaner than at any existing accelerator. (2) Even so, it will likely be necessary to have some shielding blocks available to protect experimental apparatus, and it may well be necessary to have a large amount of shielding available in the WAH. (3) Scraping will likely have some influence on all halls, and retractable apparatus may sometimes be necessary. (4) If access to any tunnel is needed to replace a magnet, one has 96 h (4 days) available to move shielding away to permit access without additional downtime. This (the amount of shielding one can shuffle about in 96 h) is a reasonable upper limit to shielding necessary in a hall

  19. Shielding member for thermonuclear device

    Energy Technology Data Exchange (ETDEWEB)

    Onozuka, Masanori

    1997-06-30

    In a thermonuclear device for shielding fast neutrons by shielding members disposed in a shielding vessel (vacuum vessel and structures such as a blanket disposed in the vacuum vessel), the shielding member comprises a large number of shielding wires formed fine and short so as to have elasticity. The shielding wires are sealed in a shielding vessel together with water, and when the width of the shielding vessel is changed, the shielding wires follow after the change of the width while elastically deforming in the shielding vessel, so that great stress and deformation are not formed thereby enabling to improve reliability. In addition, the length, the diameter and the shape of each of the shielding wires can be selected in accordance with the shielding space of the shielding vessel. Even if the shape of the shielding vessel is complicated, the shielding wires can be inserted easily. Accordingly, the filling rate of the shielding members can be changed easily. It can be produced more easily compared with a conventional spherical pebbles. It can be produced more easily than existent spherical shielding pebbles thereby enabling to reduce the production cost. (N.H.)

  20. Ab initio study, investigation of NMR shielding tensors, NBO and ...

    African Journals Online (AJOL)

    The electrochemical oxidation of dopamine and 3,4-dihydroxymethamphetamine (HHMA) has been studied in the presence of GSH and cysteine as a nucleophile. In order to determine the optimized geometries, energies, dipole moments, atomic charges, thermochemical analysis and other properties, we performed ...

  1. Estimating ISABELLE shielding requirements

    International Nuclear Information System (INIS)

    Stevens, A.J.; Thorndike, A.M.

    1976-01-01

    Estimates were made of the shielding thicknesses required at various points around the ISABELLE ring. Both hadron and muon requirements are considered. Radiation levels at the outside of the shield and at the BNL site boundary are kept at or below 1000 mrem per year and 5 mrem/year respectively. Muon requirements are based on the Wang formula for pion spectra, and the hadron requirements on the hadron cascade program CYLKAZ of Ranft. A muon shield thickness of 77 meters of sand is indicated outside the ring in one area, and hadron shields equivalent to from 2.7 to 5.6 meters in thickness of sand above the ring. The suggested safety allowance would increase these values to 86 meters and 4.0 to 7.2 meters respectively. There are many uncertainties in such estimates, but these last figures are considered to be rather conservative

  2. Scintillation counter, segmented shield

    International Nuclear Information System (INIS)

    Olson, R.E.; Thumim, A.D.

    1975-01-01

    A scintillation counter, particularly for counting gamma ray photons, includes a massive lead radiation shield surrounding a sample-receiving zone. The shield is disassembleable into a plurality of segments to allow facile installation and removal of a photomultiplier tube assembly, the segments being so constructed as to prevent straight-line access of external radiation through the shield into radiation-responsive areas. Provisions are made for accurately aligning the photomultiplier tube with respect to one or more sample-transmitting bores extending through the shield to the sample receiving zone. A sample elevator, used in transporting samples into the zone, is designed to provide a maximum gamma-receiving aspect to maximize the gamma detecting efficiency. (U.S.)

  3. Shields for nuclear reactors

    International Nuclear Information System (INIS)

    Aspden, G.J.

    1984-01-01

    The patent concerns shields for nuclear reactors. The roof shield comprises a normally fixed radial outer portion, a radial inner portion rotatable about a vertical axis, and a connection between the inner and outer portions. In the event of hypothecal core disruption conditions, a cantilever system on the inner wall allows the upward movement of the inner wall, in order to prevent loss of containment. (UK)

  4. Radiation shielding curtain

    International Nuclear Information System (INIS)

    Winkler, N.T.

    1976-01-01

    A radiation shield is described in the form of a stranded curtain made up of bead-chains whose material and geometry are selected to produce a cross-sectional density that is the equivalent of 0.25 mm or more of lead and which curtain may be mounted on various radiological devices to shield against scattered radiation while offering a minimum of obstruction to the radiologist

  5. Shielded cells transfer automation

    International Nuclear Information System (INIS)

    Fisher, J.J.

    1984-01-01

    Nuclear waste from shielded cells is removed, packaged, and transferred manually in many nuclear facilities. Radiation exposure is absorbed by operators during these operations and limited only through procedural controls. Technological advances in automation using robotics have allowed a production waste removal operation to be automated to reduce radiation exposure. The robotic system bags waste containers out of glove box and transfers them to a shielded container. Operators control the system outside the system work area via television cameras. 9 figures

  6. Shielding design for positron emission tomography facility

    International Nuclear Information System (INIS)

    Abdallah, I.I.

    2007-01-01

    With the recent advent of readily available tracer isotopes, there has been marked increase in the number of hospital-based and free-standing positron emission tomography (PET) clinics. PET facilities employ relatively large activities of high-energy photon emitting isotopes, which can be dangerous to the health of humans and animals. This coupled with the current dose limits for radiation worker and members of the public can result in shielding requirements. This research contributes to the calculation of the appropriate shielding to keep the level of radiation within an acceptable recommended limit. Two different methods were used including measurements made at selected points of an operating PET facility and computer simulations by using Monte Carlo Transport Code. The measurements mainly concerned the radiation exposure at different points around facility using the survey meter detectors and Thermoluminescent Dosimeters (TLD). Then the set of manual calculation procedures were used to estimate the shielding requirements for a newly built PEF facility. The results from the measurement and the computer simulation were compared to the results obtained from the set manual calculation procedure. In general, the estimated weekly dose at the points of interest is lower than the regulatory limits for the little company of Mary Hospital. Furthermore, the density and the HVL for normal strength concrete and clay bricks are almost similar. In conclusion, PET facilities present somewhat different design requirements and are more likely to require additional radiation shielding. Therefore, existing shields at the little Company of Mary Hospital are in general found to be adequate and satisfactory and additional shielding was found necessary at the new PET facility in the department of Nuclear Medicine of the Dr. George Mukhari Hospital. By use of appropriate design, by implying specific shielding requirements and by maintaining good operating practices, radiation doses to

  7. NMR of lignins

    Science.gov (United States)

    John Ralph; Larry L. Landucci

    2010-01-01

    This chapter will consider the basic aspects and findings of several forms of NMR spectroscopy, including separate discussions of proton, carbon, heteronuclear, and multidimensional NMR. Enhanced focus will be on 13C NMR, because of its qualitative and quantitative importance, followed by NMR’s contributions to our understanding of lignin...

  8. RADSHI: shielding calculation program for different geometries sources

    International Nuclear Information System (INIS)

    Gelen, A.; Alvarez, I.; Lopez, H.; Manso, M.

    1996-01-01

    A computer code written in pascal language for IBM/Pc is described. The program calculates the optimum thickness of slab shield for different geometries sources. The Point Kernel Method is employed, which enables the obtention of the ionizing radiation flux density. The calculation takes into account the possibility of self-absorption in the source. The air kerma rate for gamma radiation is determined, and with the concept of attenuation length through the equivalent attenuation length the shield is obtained. The scattering and the exponential attenuation inside the shield material is considered in the program. The shield materials can be: concrete, water, iron or lead. It also calculates the shield for point isotropic neutron source, using as shield materials paraffin, concrete or water. (authors). 13 refs

  9. Computer software for linear and nonlinear regression in organic NMR; Programa de computador para regressao linear e nao linear em R.M.N. organica

    Energy Technology Data Exchange (ETDEWEB)

    Canto, Eduardo Leite do; Rittner, Roberto [Universidade Estadual de Campinas, SP (Brazil). Inst. de Quimica

    1992-12-31

    Calculation involving two variable linear regressions, require specific procedures generally not familiar to chemist. For attending the necessity of fast and efficient handling of NMR data, a self explained and Pc portable software has been developed, which allows user to produce and use diskette recorded tables, containing chemical shift or any other substituent physical-chemical measurements and constants ({sigma}{sub T}, {sigma}{sup o}{sub R}, E{sub s}, ...) 9 refs., 1 fig.

  10. Nuclear Magnetic Shielding Constants from Quantum Mechanical/Molecular Mechanical Calculations Using Polarizable Embedding: Role of the Embedding Potential

    DEFF Research Database (Denmark)

    Steinmann, Casper; Olsen, Jógvan Magnus Haugaard; Kongsted, Jacob

    2014-01-01

    We present NMR shielding constants obtained through quantum mechanical/molecular mechanical (QM/MM) embedding calculations. Contrary to previous reports, we show that a relatively small QM region is sufficient, provided that a high-quality embedding potential is used. The calculated averaged NMR...... shielding constants of both acrolein and acetone solvated in water are based on a number of snapshots extracted from classical molecular dynamics simulations. We focus on the carbonyl chromophore in both molecules, which shows large solvation effects, and we study the convergence of shielding constants...

  11. Soil biological shield exposed to high energy neutrons; Zemlja kao bioloski stit od neutrona visokih energija

    Energy Technology Data Exchange (ETDEWEB)

    Simovic, R; Marinkovic, N [Institute of nuclear sciences Vinca, Belgrade (Yugoslavia)

    1993-04-15

    Shielding efficiency of soil biological shield exposed to high energy neutrons was investigated. Dose rate equivalents for neutrons, secondary gamma and gamma radiation were computed on the surface of soil slabs having different thicknesses. Yields of primary and secondary nuclear radiation in the total dose were evaluated. Influence of the incident neutron spectrum, water content and chemical composition of the material on its shielding efficiency was examined. It was found that the soil density and the water content determine the quality of biological shield, the influence of other factors being less important. Comparison of shielding efficiencies for soil with sand, brick and ordinary concrete shields was done.

  12. Neutron shielding material

    International Nuclear Information System (INIS)

    Nodaka, M.; Iida, T.; Taniuchi, H.; Yosimura, K.; Nagahama, H.

    1993-01-01

    From among the neutron shielding materials of the 'kobesh' series developed by Kobe Steel, Ltd. for transport and storage packagings, silicon rubber base type material has been tested for several items with a view to practical application and official authorization, and in order to determine its adaptability to actual vessels. Silicon rubber base type 'kobesh SR-T01' is a material in which, from among the silicone rubber based neutron shielding materials, the hydrogen content is highest and the boron content is most optimized. Its neutron shielding capability has been already described in the previous report (Taniuchi, 1986). The following tests were carried out to determine suitability for practical application; 1) Long-term thermal stability test 2) Pouring test on an actual-scale model 3) Fire test The experimental results showed that the silicone rubber based neutron shielding material has good neutron shielding capability and high long-term fire resistance, and that it can be applied to the advanced transport packaging. (author)

  13. Concrete radiation shielding

    International Nuclear Information System (INIS)

    Kaplan, M.F.

    1989-01-01

    The increased use of nuclear energy has given rise to a growth in the amount of artificially produced radiation and radioactive materials. The design and construction of shielding to protect people, equipment and structures from the effects of radiation has never been more important. Experience has shown that concrete is an effective, versatile and economical material for the construction of radiation shielding. This book provides information on the principles governing the interaction of radiation with matter and on relevant nuclear physics to give the engineer an understanding of the design and construction of concrete shielding. It covers the physical, mechanical and nuclear properties of concrete; the effects of elevated temperatures and possible damage to concrete due to radiation; basic procedures for the design of concrete radiation shields and finally the special problems associated with their construction and cost. Although written primarily for engineers concerned with the design and construction of concrete shielding, the book also reviews the widely scattered data and information available on this subject and should therefore be of interest to students and those wishing to research further in this field. (author)

  14. Method for dismantling shields

    International Nuclear Information System (INIS)

    Fukuzawa, Rokuro; Kondo, Nobuhiro; Kamiyama, Yoshinori; Kawasato, Ken; Hiraga, Tomoaki.

    1990-01-01

    The object of the present invention is to enable operators to dismantle shieldings contaminated by radioactivity easily and in a short period of time without danger of radiation exposure. A plurality of introduction pipes are embedded previously to the shielding walls of shielding members which contain a reactor core in a state where both ends of the introduction pipes are in communication with the outside. A wire saw is inserted into the introduction pipes to cut the shieldings upon dismantling. Then, shieldings can be dismantled easily in a short period of time with no radiation exposure to operator's. Further, according to the present invention, since the wire saw can be set easily and a large area can be cut at once, operation efficiency is improved. Further, since remote control is possible, cutting can be conducted in water and complicated places of the reactor. Biting upon starting the wire saw in the introduction pipe is reduced to facilitate startup for the rotation. (I.S.)

  15. Mechanical shielded hot cell

    International Nuclear Information System (INIS)

    Higgy, H.R.; Abdel-Rassoul, A.A.

    1983-01-01

    A plan to erect a mechanical shielded hot cell in the process hall of the Radiochemical Laboratory at Inchas is described. The hot cell is designed for safe handling of spent fuel bundles, from the Inchas reactor, and for dismantling and cutting the fuel rods in preparation for subsequent treatment. The biological shielding allows for the safe handling of a total radioactivity level up to 10,000 MeV-Ci. The hot cell consists of an α-tight stainless-steel box, connected to a γ-shielded SAS, through an air-lock containing a movable carriage. The α-box is tightly connected with six dry-storage cavities for adequate storage of the spent fuel bundles. Both the α-box, with the dry-storage cavities, and the SAS are surrounded by 200-mm thick biological lead shielding. The α-box is equipped with two master-slave manipulators, a lead-glass window, a monorail crane and Padirac and Minirag systems. The SAS is equipped with a lead-glass window, tong manipulator, a shielded pit and a mechanism for the entry of the spent fuel bundle. The hot cell is served by adequate ventilation and monitoring systems. (author)

  16. SHREDI a removal diffusion shielding code for x-y and r-z geometries

    International Nuclear Information System (INIS)

    Daneri, A.; Toselli, G.

    1974-01-01

    The SHREDI, a removal diffusion neutron shielding code written in FORTRAN for IBM 370/165, is presented. The code computes neutron fluxes or adjoint fluxes and activations in bidimensional sections of the shield. It is also possible to consider shielding points with the same coordinate (y or z) (monodimensional problems)

  17. Shield support frame. Schildausbaugestell

    Energy Technology Data Exchange (ETDEWEB)

    Plaga, K.

    1981-09-17

    A powered shield support frame for coal sheds is described comprising of two bottom sliding shoes, a large area gob shield and a larg area roof assembly, all joined movable together. The sliding shoes and the gob shield are joined by a lemniscate guide. Two hydraulic props are arranged at the face-side at one third of the length of the sliding shoes and at the goaf-side at one third of the length of the roof assembly. A nearly horizontal lying pushing prop unit joins the bottom wall sliding shoes to the goaf-side lemniscate guide. This assembly can be applied to seams with a thickness down to 45 cm. (OGR).

  18. Radiation shielding material

    International Nuclear Information System (INIS)

    Matsumoto, Akio; Isobe, Eiji.

    1976-01-01

    Purpose: To increase the shielding capacity of the radiation shielding material having an abundant flexibility. Constitution: A mat consisting of a lead or lead alloy fibrous material is covered with a cloth, and the two are made integral by sewing in a kilted fashion by using a yarn. Thereafter, the system is covered with a gas-tight film or sheet. The shielding material obtained in this way has, in addition to the above merits, advantages in that (1) it is free from restoration due to elasticity so that it can readily seal contaminants, (2) it can be used in a state consisting of a number of overlapped layers, (3) it fits the shoulder well and is readily portable and (4) it permits attachment of fasteners or the like. (Ikeda, J.)

  19. Hybrid Magnetic Shielding

    Science.gov (United States)

    Royal, Kevin; Crawford, Christopher; Mullins, Andrew; Porter, Greg; Blanton, Hunter; Johnstone, Connor; Kistler, Ben; Olivera, Daniela

    2017-09-01

    The search for the electric dipole moment of the neutron requires the ambient magnetic field to be on the pT scale which is accomplished with large magnetic shielding rooms. These rooms are fitted with large mu-metal sheets to allow for passive cancellation of background magnetic fields. Active shielding technology cannot uniformly cancel background magnetic fields. These issues can be remedied by combining the methods into a hybrid system. The design used is composed of panels that have an active layer of cancellation between two sheets of mu-metal. The panels form a cube and draw in magnetic fields perpendicular to the surface which can then be reduced using active shielding. This work is supported by the Department of Energy under Contract DE-SC0008107.

  20. Reactor head shielding apparatus

    International Nuclear Information System (INIS)

    Schukei, G.E.; Roebelen, G.J.

    1992-01-01

    This patent describes a nuclear reactor head shielding apparatus for mounting on spaced reactor head lifting members radially inwardly of the head bolts. It comprises a frame of sections for mounting on the lifting members and extending around the top central area of the head, mounting means for so mounting the frame sections, including downwardly projecting members on the frame sections and complementary upwardly open recessed members for fastening to the lifting members for receiving the downwardly projecting members when the frame sections are lowered thereto with lead shielding supported thereby on means for hanging lead shielding on the frame to minimize radiation exposure or personnel working with the head bolts or in the vicinity thereof

  1. Double-layer neutron shield design as neutron shielding application

    Science.gov (United States)

    Sariyer, Demet; Küçer, Rahmi

    2018-02-01

    The shield design in particle accelerators and other high energy facilities are mainly connected to the high-energy neutrons. The deep penetration of neutrons through massive shield has become a very serious problem. For shielding to be efficient, most of these neutrons should be confined to the shielding volume. If the interior space will become limited, the sufficient thickness of multilayer shield must be used. Concrete and iron are widely used as a multilayer shield material. Two layers shield material was selected to guarantee radiation safety outside of the shield against neutrons generated in the interaction of the different proton energies. One of them was one meter of concrete, the other was iron-contained material (FeB, Fe2B and stainless-steel) to be determined shield thicknesses. FLUKA Monte Carlo code was used for shield design geometry and required neutron dose distributions. The resulting two layered shields are shown better performance than single used concrete, thus the shield design could leave more space in the interior shielded areas.

  2. Shielding research in France

    Energy Technology Data Exchange (ETDEWEB)

    Lafore, P

    1964-10-01

    Shielding research as an independent subject in France dates from 1956. The importance of these studies has been reflected in the contribution which they have made to power reactor design and in the resultant savings in expenditure for civil engineering and machinery for the removal of mobile shields. The Reactor Shielding Research Division numbers approximately 60 persons and uses several experimental facilities. These include: NAIADE I, installed near the ZOE reactor and operating with a natural uranium slab 2 cm thick (an effective diameter of 60 cm is the one most commonly used); the TRITON pool-type reactor, mainly used in shielding studies, includes an active-water loop, by means of which the secondary shields required for light-water reactors can be studied; core, NEREIDE, which is situated near a 2 m x 2 m aluminium window enables a large neutron source to be placed in a compartment without water in which large-scale mock-ups can be mounted for the study, in particular, of neutron diffusion in large cavities, and of reactor shielding of greater thickness than that in NAIADE I; SAMES 600 keV accelerator is used for monoenergetic neutron studies. Instrumentation studies are an important part of the work, mainly in the measurement of fast neutrons and their spectra by activation detectors. Of late, attention has been directed towards the use of (n, n') (rhodium) reactions and of heavy detectors for low-flux measurements. The simultaneous use of a large number of detectors poses automation problems. With our installation we can count 16 detectors simultaneously. Neutron spectrum studies are conducted with nuclear emulsions and a lithium-6 semiconductor spectrometer. As to the materials used, the research carried out in France involves chiefly graphite, iron and concrete at various temperatures up to 800 deg C. Different compounds, borated and non-borated and of densities up to between 1 and 9 are under consideration. Problems connected with applications are

  3. First Wall, Blanket, Shield Engineering Technology Program

    International Nuclear Information System (INIS)

    Nygren, R.E.

    1982-01-01

    The First Wall/Blanket/Shield Engineering Technology Program sponsored by the Office of Fusion Energy of DOE has the overall objective of providing engineering data that will define performance parameters for nuclear systems in advanced fusion reactors. The program comprises testing and the development of computational tools in four areas: (1) thermomechanical and thermal-hydraulic performance of first-wall component facsimiles with emphasis on surface heat loads; (2) thermomechanical and thermal-hydraulic performance of blanket and shield component facsimiles with emphasis on bulk heating; (3) electromagnetic effects in first wall, blanket, and shield component facsimiles with emphasis on transient field penetration and eddy-current effects; (4) assembly, maintenance and repair with emphasis on remote-handling techniques. This paper will focus on elements 2 and 4 above and, in keeping with the conference participation from both fusion and fission programs, will emphasize potential interfaces between fusion technology and experience in the fission industry

  4. Calculated shielding factors for selected European houses

    International Nuclear Information System (INIS)

    Hedemann Jensen, P.

    1984-12-01

    Shielding factors for gamma radiation from activity deposited on structures and ground surfaces have been calculated with the computer model DEPSHIELD for single-family and multi-storey buildings in France, United Kingdom and Denmark. For all three countries it was found that the shielding factors for single-family houses are approximately a factor of 2 - 10 higher that those for buildings with five or more storeys. Away from doors and windows the shielding factors for French, British, and Danish single-family houses are in the range 0.03 - 0.1, 0.06 - 0.4, and 0.07 - 0.3, respectively. The uncertainties of the calculations are discussed and DEPSHIELD-results are compared with other methods as well as with experimental results. (author)

  5. Radiation shielding bricks

    International Nuclear Information System (INIS)

    Crowe, G.J.W.

    1983-01-01

    A radiation shielding brick for use in building dry walls to form radiation proof enclosures and other structures is described. It is square in shape and comprises a sandwich of an inner layer of lead or similar shielding material between outer layers of plastics material, for structural stability. The ability to mechanically interlock adjacent bricks is provided by shaping the edges as cooperating external and internal V-sections. Relatively leak-free joints are ensured by enlarging the width of the inner layer in the edge region. (author)

  6. Shielding design to obtain compact marine reactor

    International Nuclear Information System (INIS)

    Yamaji, Akio; Sako, Kiyoshi

    1994-01-01

    The marine reactors equipped in previously constructed nuclear ships are in need of the secondary shield which is installed outside the containment vessel. Most of the weight and volume of the reactor plants are occupied by this secondary shield. An advanced marine reactor called MRX (Marine Reactor X) has been designed to obtain a more compact and lightweight marine reactor with enhanced safety. The MRX is a new type of marine reactor which is an integral PWR (The steam generator is installed in the pressure vessel.) with adopting a water-filled containment vessel and a new shielding design method of no installation of the secondary shield. As a result, MRX is considerably lighter in weight and more compact in size as compared with the reactors equipped in previously constructed nuclear ships. For instance, the plant weight and volume of the containment vessel of MRX are about 50% and 70% of those of the Nuclear Ship MUTSU, in spite of the power of MRX is 2.8 times as large as the MUTSU's reactor. The shielding design calculation was made using the ANISN, DOT3.5, QAD-CGGP2 and ORIGEN codes. The computational accuracy was confirmed by experimental analyses. (author)

  7. Monte Carlo based radial shield design of typical PWR reactor

    Energy Technology Data Exchange (ETDEWEB)

    Gul, Anas; Khan, Rustam; Qureshi, M. Ayub; Azeem, Muhammad Waqar; Raza, S.A. [Pakistan Institute of Engineering and Applied Sciences, Islamabad (Pakistan). Dept. of Nuclear Engineering; Stummer, Thomas [Technische Univ. Wien (Austria). Atominst.

    2016-11-15

    Neutron and gamma flux and dose equivalent rate distribution are analysed in radial and shields of a typical PWR type reactor based on the Monte Carlo radiation transport computer code MCNP5. The ENDF/B-VI continuous energy cross-section library has been employed for the criticality and shielding analysis. The computed results are in good agreement with the reference results (maximum difference is less than 56 %). It implies that MCNP5 a good tool for accurate prediction of neutron and gamma flux and dose rates in radial shield around the core of PWR type reactors.

  8. Design of platform for removing screws from LCD display shields

    Science.gov (United States)

    Tu, Zimei; Qin, Qin; Dou, Jianfang; Zhu, Dongdong

    2017-11-01

    Removing the screws on the sides of a shield is a necessary process in disassembling a computer LCD display. To solve this issue, a platform has been designed for removing the screws on display shields. This platform uses virtual instrument technology with LabVIEW as the development environment to design the mechanical structure with the technologies of motion control, human-computer interaction and target recognition. This platform removes the screws from the sides of the shield of an LCD display mechanically thus to guarantee follow-up separation and recycle.

  9. Hybrid Active-Passive Radiation Shielding System

    Data.gov (United States)

    National Aeronautics and Space Administration — A radiation shielding system is proposed that integrates active magnetic fields with passive shielding materials. The objective is to increase the shielding...

  10. Gauge origin independent calculations of nuclear magnetic shieldings in relativistic four-component theory

    DEFF Research Database (Denmark)

    Ilias, Miroslav; Saue, Trond; Enevoldsen, Thomas

    2009-01-01

    The use of perturbation-dependent London atomic orbitals, also called gauge including atomic orbitals, has proven efficient for calculations of NMR shielding constants and other magnetic properties in the nonrelativistic framework. In this paper, the theory of London atomic orbitals for NMR...... calculates the diamagnetic contribution as an expectation value, leads to significant errors and is not recommended. (C) 2009 American Institute of Physics. [doi:10.1063/1.3240198]...

  11. Future directions in shielding methods and analysis

    International Nuclear Information System (INIS)

    Goldstein, H.

    1987-01-01

    Over the nearly half century history of shielding against reactor radiation, there has been a see-saw battle between theory and measurement. During that period the capability and accuracy of calculational methods have been enormously improved. The microscopic cross sections needed as input to the theoretical computations are now also known to adequate accuracy (with certain exceptions). Nonetheless, there remain substantial classes of shielding problems not yet accessible to satisfactory computational methods, particularly where three-dimensional geometries are involved. This paper discusses promising avenues to approach such problems, especially in the light of recent and expected advances in supercomputers. In particular, it seems that Monte Carlo methods should be much more advantageous in the new computer environment than they have been in the past

  12. Radiation shielding cloth

    International Nuclear Information System (INIS)

    Ijiri, Yasuo; Fujinuma, Tadashi; Tamura, Shoji.

    1989-01-01

    Radiation shielding cloth having radiation shielding layers comprising a composition of inorganic powder of high specific gravity and rubber are excellentin flexibility and comfortable to put on. However, since they are heavy in the weight, operators are tired upon putting them for a long time. In view of the above, the radiation ray shielding layers are prepared by calendering sheets obtained by preliminary molding of the composition to set the variation of the thickness within a range of +15% to -0% of prescribed thickness. Since the composition of inorganic powder at high specific gravity and rubber used for radiation ray shielding comprises a great amount of inorganic powder at high specific gravity blended therein, it is generally poor in fabricability. Therefor, it is difficult to attain fine control for the sheet thickness by merely molding a composition block at once. Then, the composition is at first preliminarily molded into a sheet-like shape which is somewhat thickener than the final thickness and then finished by calendering, by which the thickness can be reduced in average as compared with conventional products while keeping the prescribed thickness and reducing the weight reduce by so much. (N.H.)

  13. Electrostatic shielding of transformers

    Energy Technology Data Exchange (ETDEWEB)

    De Leon, Francisco

    2017-11-28

    Toroidal transformers are currently used only in low-voltage applications. There is no published experience for toroidal transformer design at distribution-level voltages. Toroidal transformers are provided with electrostatic shielding to make possible high voltage applications and withstand the impulse test.

  14. Penetration portion shielding structure

    International Nuclear Information System (INIS)

    Hayashi, Katsumi; Narita, Hitoshi; Handa, Hiroyuki; Takeuchi, Jun; Tozuka, Fumio.

    1994-01-01

    Openings of a plurality of shieldings for penetration members are aligned to each other, and penetration members are inserted from the openings. Then, the openings of the plurality of shielding members are slightly displaced with each other to make the penetration portions into a helical configuration, so that leakage of radiation is reduced. Upon removal of the members, reverse operation is conducted. When a flowable shielding material is used, the penetration portions are constituted with two plates having previously formed openings and pipes for connecting the openings with each other and a vessel covering the entire of them. After passing the penetration members such as a cable, the relative position of the two plates is changed by twisting, to form a helical configuration which reduces radiation leakage. Since they are bent into the helical configuration, shielding performance is extremely improved compared with a case that radiation leakage is caused from an opening of a straight pipe. In addition, since they can be returned to straight pipes, attachment, detachment and maintenance can be conducted easily. (N.H.)

  15. Dosimetry and shielding

    International Nuclear Information System (INIS)

    Farinelli, U.

    1977-01-01

    Today, reactor dosimetry and shielding have wide areas of overlap as concerns both problems and methods. Increased interchange of results and know-how would benefit both. The areas of common interest include calculational methods, sensitivity studies, theoretical and experimental benchmarks, cross sections and other nuclear data, multigroup libraries and procedures for their adjustment, experimental techniques and damage functions. This paper reviews the state-of-the-art and the latest development in each of these areas as far as shielding is concerned, and suggests a number of interactions that could be profitable for reactor dosimetry. Among them, re-evaluation of the potentialities of calculational methods (in view of the recent developments) in predicting radiation environments of interest; the application of sensitivity analysis to dosimetry problems; a common effort in the field of theoretical benchmarks; the use of the shielding one-material propagation experiments as reference spectra for detector cross sections; common standardization of the detector nuclear data used in both fields; the setting up of a common (or compatible) multigroup structure and library applicable to shielding, dosimetry and core physics; the exchange of information and experience in the fields of cross section errors, correlations and adjustment; and the intercomparison of experimental techniques

  16. Radiation shielding glass

    International Nuclear Information System (INIS)

    Kido, Kazuhiro; Ueda, Hajime.

    1997-01-01

    It was found that a glass composition comprising, as essential ingredients, SiO 2 , PbO, Gd 2 O 3 and alkali metal oxides can provide a shielding performance against electromagnetic waves, charged particles and neutrons. The present invention provides radiation shielding glass containing at least from 16 to 46wt% of SiO 2 , from 47 to 75wt% of PbO, from 1 to 10wt% of Gd 2 O 3 , from 0 to 3wt% of Li 2 O, from 0 to 7wt% of Na 2 O, from 0 to 7wt% of K 2 O provided that Li 2 O + Na 2 O + K 2 O is from 1 to 10wt%, B 2 O 3 is from 0 to 10wt%, CeO 2 is from 0 to 3wt%, As 2 O 3 is from 0 to 1wt% and Sb 2 O 3 is from 0 to 1wt%. Since the glass can shield electromagnetic waves, charged particles and neutrons simultaneously, radiation shielding windows can be designed and manufactured at a reduced thickness and by less constitutional numbers in a circumstance where they are present altogether. (T.M.)

  17. NMR-CT scanner

    International Nuclear Information System (INIS)

    Kose, Katsumi; Sato, Kozo; Sugimoto, Hiroshi; Sato, Masataka.

    1983-01-01

    A brief explanation is made on the imaging methods for a practical diagnostic NMR-CT scanner : A whole-body NMR-CT scanner utilizing a resistive magnet has been developed by Toshiba in cooperation with the Institute for Solid State Physics, the University of Tokyo. Typical NMR-CT images of volunteers and patients obtained in the clinical experiments using this device are presented. Detailed specifications are also shown about the practical NMR-CTs which are to be put on the market after obtaining the government approval. (author)

  18. NMR imaging and pharmaceutical sciences

    International Nuclear Information System (INIS)

    Beall, P.T.; Good, W.R.

    1986-01-01

    Described is the technique of NMR-imaging in diagnostic medicine. Proton and phosphorus NMR in diagnosis of abnormal tissue pathology. Discussed is the value of NMR to the pharmaceutical sciences. NMR may play an important role in monitoring the response of tissues to drugs, determining the localization of drugs, performing real time pharmacokinetics and testing the use of NMR contrast pharmaceuticals

  19. Bayesian Peak Picking for NMR Spectra

    KAUST Repository

    Cheng, Yichen

    2014-02-01

    Protein structure determination is a very important topic in structural genomics, which helps people to understand varieties of biological functions such as protein-protein interactions, protein–DNA interactions and so on. Nowadays, nuclear magnetic resonance (NMR) has often been used to determine the three-dimensional structures of protein in vivo. This study aims to automate the peak picking step, the most important and tricky step in NMR structure determination. We propose to model the NMR spectrum by a mixture of bivariate Gaussian densities and use the stochastic approximation Monte Carlo algorithm as the computational tool to solve the problem. Under the Bayesian framework, the peak picking problem is casted as a variable selection problem. The proposed method can automatically distinguish true peaks from false ones without preprocessing the data. To the best of our knowledge, this is the first effort in the literature that tackles the peak picking problem for NMR spectrum data using Bayesian method.

  20. Gonad shielding in diagnostic radiology

    International Nuclear Information System (INIS)

    Anon.

    1975-01-01

    The use of gonad shielding is an important radiation protection technique, intended to reduce unnecessary x-ray exposure of the gonads of patients from diagnostic x-ray procedures. The types of gonad shields in use are discussed as are the types of diagnostic examinations that should include gonad shielding. It was found that when properly used, most shields provided substantial gonad dose reductions

  1. Synthesis, X-ray diffraction method, spectroscopic characterization (FT-IR, 1H and 13C NMR), antimicrobial activity, Hirshfeld surface analysis and DFT computations of novel sulfonamide derivatives

    Science.gov (United States)

    Demircioğlu, Zeynep; Özdemir, Fethi Ahmet; Dayan, Osman; Şerbetçi, Zafer; Özdemir, Namık

    2018-06-01

    Synthesized compounds of N-(2-aminophenyl)benzenesulfonamide 1 and (Z)-N-(2-((2-nitrobenzylidene)amino)phenyl)benzenesulfonamide 2 were characterized by antimicrobial activity, FT-IR, 1H and 13C NMR. Two new Schiff base ligands containing aromatic sulfonamide fragment of (Z)-N-(2-((3-nitrobenzylidene)amino)phenyl)benzenesulfonamide 3 and (Z)-N-(2-((4-nitrobenzylidene)amino)phenyl)benzenesulfonamide 4 were synthesized and investigated by spectroscopic techniques including 1H and 13C NMR, FT-IR, single crystal X-ray diffraction, Hirshfeld surface, theoretical method analyses and by antimicrobial activity. The molecular geometry obtained from the X-ray structure determination was optimized Density Functional Theory (DFT/B3LYP) method with the 6-311++G(d,p) basis set in ground state. From the optimized geometry of the molecules of 3 and 4, the geometric parameters, vibrational wavenumbers and chemical shifts were computed. The optimized geometry results, which were well represented the X-ray data, were shown that the chosen of DFT/B3LYP 6-311G++(d,p) was a successful choice. After a successful optimization, frontier molecular orbitals, chemical activity, non-linear optical properties (NLO), molecular electrostatic mep (MEP), Mulliken population method, natural population analysis (NPA) and natural bond orbital analysis (NBO), which cannot be obtained experimentally, were calculated and investigated.

  2. An introduction to biological NMR spectroscopy

    International Nuclear Information System (INIS)

    Marion, Dominique

    2013-01-01

    NMR spectroscopy is a powerful tool for biologists interested in the structure, dynamics, and interactions of biological macromolecules. This review aims at presenting in an accessible manner the requirements and limitations of this technique. As an introduction, the history of NMR will highlight how the method evolved from physics to chemistry and finally to biology over several decades. We then introduce the NMR spectral parameters used in structural biology, namely the chemical shift, the J-coupling, nuclear Overhauser effects, and residual dipolar couplings. Resonance assignment, the required step for any further NMR study, bears a resemblance to jigsaw puzzle strategy. The NMR spectral parameters are then converted into angle and distances and used as input using restrained molecular dynamics to compute a bundle of structures. When interpreting a NMR-derived structure, the biologist has to judge its quality on the basis of the statistics provided. When the 3D structure is a priori known by other means, the molecular interaction with a partner can be mapped by NMR: information on the binding interface as well as on kinetic and thermodynamic constants can be gathered. NMR is suitable to monitor, over a wide range of frequencies, protein fluctuations that play a crucial role in their biological function. In the last section of this review, intrinsically disordered proteins, which have escaped the attention of classical structural biology, are discussed in the perspective of NMR, one of the rare available techniques able to describe structural ensembles. This Tutorial is part of the International Proteomics Tutorial Programme (IPTP 16 MCP). (authors)

  3. Shielding experiments for accelerator facilities

    Energy Technology Data Exchange (ETDEWEB)

    Nakashima, Hiroshi; Tanaka, Susumu; Sakamoto, Yukio [Japan Atomic Energy Research Inst., Tokai, Ibaraki (Japan). Tokai Research Establishment] [and others

    2000-06-01

    A series of shielding experiments was carried out by using AVF cyclotron accelerator of TIARA at JAERI in order to validate shielding design methods for accelerator facilities in intermediate energy region. In this paper neutron transmission experiment through thick shields and radiation streaming experiment through a labyrinth are reported. (author)

  4. Shielding experiments for accelerator facilities

    International Nuclear Information System (INIS)

    Nakashima, Hiroshi; Tanaka, Susumu; Sakamoto, Yukio

    2000-01-01

    A series of shielding experiments was carried out by using AVF cyclotron accelerator of TIARA at JAERI in order to validate shielding design methods for accelerator facilities in intermediate energy region. In this paper neutron transmission experiment through thick shields and radiation streaming experiment through a labyrinth are reported. (author)

  5. Shielding Design and Radiation Shielding Evaluation for LSDS System Facility

    International Nuclear Information System (INIS)

    Kim, Younggook; Kim, Jeongdong; Lee, Yongdeok

    2015-01-01

    As the system characteristics, the target in the spectrometer emits approximately 1012 neutrons/s. To efficiently shield the neutron, the shielding door designs are proposed for the LSDS system through a comparison of the direct shield and maze designs. Hence, to guarantee the radiation safety for the facility, the door design is a compulsory course of the development of the LSDS system. To improve the shielding rates, 250x250 covering structure was added as a subsidiary around the spectrometer. In this study, the evaluations of the suggested shielding designs were conducted using MCNP code. The suggested door design and covering structures can shield the neutron efficiently, thus all evaluations of all conditions are satisfied within the public dose limits. From the Monte Carlo code simulation, Resin(Indoor type) and Tungsten(Outdoor type) were selected as the shielding door materials. From a comparative evaluation of the door thickness, In and Out door thickness was selected 50 cm

  6. Radiation shielding and safety design

    Energy Technology Data Exchange (ETDEWEB)

    Lee, Yong Ouk; Gil, C. S.; Cho, Y. S.; Kim, D. H.; Kim, H. I.; Kim, J. W.; Lee, C. W.; Kim, K. Y.; Kim, B. H. [KAERI, Daejeon (Korea, Republic of)

    2011-07-15

    A benchmarking for the test facility, evaluations of the prompt radiation fields, evaluation of the induced activities in the facility, and estimation of the radiological impact on the environment were performed in this study. and the radiation safety analysis report for nuclear licensing was written based on this study. In the benchmark calculation, the neutron spectra was measured in the 20 Mev test facility and the measurements were compared with the computational results to verify the calculation system. In the evaluation of the prompt radiation fields, the shielding design for 100 MeV target rooms, evaluations of the leakage doses from the accidents and skyshine analysis were performed. The evaluation of the induced activities were performed for the coolant, inside air, structural materials, soil and ground-water. At last, the radiation safety analysis report was written based on results from these studies

  7. Heavy metal oxide glasses as gamma rays shielding material

    International Nuclear Information System (INIS)

    Kaur, Preet; Singh, Devinder; Singh, Tejbir

    2016-01-01

    The gamma rays shielding parameters for heavy metal oxide glasses and concrete samples are comparable. However, the transparent nature of glasses provides additional feature to visualize inside the shielding material. Hence, different researchers had contributed in computing/measuring different shielding parameters for different configurations of heavy metal oxide glass systems. In the present work, a detailed study on different heavy metal (_5_6Ba, _6_4Gd, _8_2Pb, _8_3Bi) oxide glasses has been presented on the basis of different gamma rays shielding parameters as reported by different researchers in the recent years. It has been observed that among the selected heavy metal oxide glass systems, Bismuth based glasses provide better gamma rays shielding. Hence, Bismuth based glasses can be better substitute to concrete walls at nuclear reactor sites and nuclear labs.

  8. Heavy metal oxide glasses as gamma rays shielding material

    Energy Technology Data Exchange (ETDEWEB)

    Kaur, Preet; Singh, Devinder; Singh, Tejbir, E-mail: dr.tejbir@gmail.com

    2016-10-15

    The gamma rays shielding parameters for heavy metal oxide glasses and concrete samples are comparable. However, the transparent nature of glasses provides additional feature to visualize inside the shielding material. Hence, different researchers had contributed in computing/measuring different shielding parameters for different configurations of heavy metal oxide glass systems. In the present work, a detailed study on different heavy metal ({sub 56}Ba, {sub 64}Gd, {sub 82}Pb, {sub 83}Bi) oxide glasses has been presented on the basis of different gamma rays shielding parameters as reported by different researchers in the recent years. It has been observed that among the selected heavy metal oxide glass systems, Bismuth based glasses provide better gamma rays shielding. Hence, Bismuth based glasses can be better substitute to concrete walls at nuclear reactor sites and nuclear labs.

  9. Structure and reactivity of thiazolium azo dyes: UV-visible, resonance Raman, NMR, and computational studies of the reaction mechanism in alkaline solution.

    Science.gov (United States)

    Abbott, Laurence C; Batchelor, Stephen N; Moore, John N

    2013-03-07

    UV-visible absorption, resonance Raman, and (1)H NMR spectroscopy, allied with density functional theory (DFT) calculations, have been used to study the structure, bonding, and alkaline hydrolysis mechanism of the cationic thiazloium azo dye, 2-[2-[4-(diethylamino)phenyl]diazenyl]-3-methyl-thiazolium (1a), along with a series of six related dyes with different 4-dialkylamino groups and/or other phenyl ring substituents (2a-c, 3a-c) and the related isothiazolium azo dye, 5-[2-[4-(dimethylamino)phenyl]diazenyl]-2-methyl-isothiazolium (4). These diazahemicyanine dyes are calculated to have a similar low-energy structure that is cis, trans at the (iso)thiazolium-azo group, and for which the calculated Raman spectra provide a good match with the experimental data; the calculations on these structures are used to assign and discuss the transitions giving rise to the experimental spectra, and to consider the bonding and its variation between the dyes. UV-visible, Raman, and NMR spectra recorded from minutes to several weeks after raising the pH of an aqueous solution of 1a to ca. 11.5 show that the dominant initial step in the reaction is loss of diethylamine to produce a quinonimine (ca. hours), with subsequent reactions occurring on longer time scales (ca. days to weeks); kinetic analyses give a rate constant of 2.6 × 10(-2) dm(3) mol(-1) s(-1) for reaction of 1a with OH(-). UV-visible spectra recorded on raising the pH of the other dyes in solution show similar changes that are attributed to the same general reaction mechanism, but with different rate constants for which the dependence on structure is discussed.

  10. Shielding in ungated field emitter arrays

    Energy Technology Data Exchange (ETDEWEB)

    Harris, J. R. [U.S. Navy Reserve, Navy Operational Support Center New Orleans, New Orleans, Louisiana 70143 (United States); Jensen, K. L. [Code 6854, Naval Research Laboratory, Washington, D.C. 20375 (United States); Shiffler, D. A. [Directed Energy Directorate, Air Force Research Laboratory, Albuquerque, New Mexico 87117 (United States); Petillo, J. J. [Leidos, Billerica, Massachusetts 01821 (United States)

    2015-05-18

    Cathodes consisting of arrays of high aspect ratio field emitters are of great interest as sources of electron beams for vacuum electronic devices. The desire for high currents and current densities drives the cathode designer towards a denser array, but for ungated emitters, denser arrays also lead to increased shielding, in which the field enhancement factor β of each emitter is reduced due to the presence of the other emitters in the array. To facilitate the study of these arrays, we have developed a method for modeling high aspect ratio emitters using tapered dipole line charges. This method can be used to investigate proximity effects from similar emitters an arbitrary distance away and is much less computationally demanding than competing simulation approaches. Here, we introduce this method and use it to study shielding as a function of array geometry. Emitters with aspect ratios of 10{sup 2}–10{sup 4} are modeled, and the shielding-induced reduction in β is considered as a function of tip-to-tip spacing for emitter pairs and for large arrays with triangular and square unit cells. Shielding is found to be negligible when the emitter spacing is greater than the emitter height for the two-emitter array, or about 2.5 times the emitter height in the large arrays, in agreement with previously published results. Because the onset of shielding occurs at virtually the same emitter spacing in the square and triangular arrays, the triangular array is preferred for its higher emitter density at a given emitter spacing. The primary contribution to shielding in large arrays is found to come from emitters within a distance of three times the unit cell spacing for both square and triangular arrays.

  11. Methods for calculating radiation attenuation in shields

    Energy Technology Data Exchange (ETDEWEB)

    Butler, J; Bueneman, D; Etemad, A; Lafore, P; Moncassoli, A M; Penkuhn, H; Shindo, M; Stoces, B

    1964-10-01

    In recent years the development of high-speed digital computers of large capacity has revolutionized the field of reactor shield design. For compact special-purpose reactor shields, Monte-Carlo codes in two- and three dimensional geometries are now available for the proper treatment of both the neutron and gamma- ray problems. Furthermore, techniques are being developed for the theoretical optimization of minimum-weight shield configurations for this type of reactor system. In the design of land-based power reactors, on the other hand, there is a strong incentive to reduce the capital cost of the plant, and economic considerations are also relevant to reactors designed for merchant ship propulsion. In this context simple methods are needed which are economic in their data input and computing time requirements and which, at the same time, are sufficiently accurate for design work. In general the computing time required for Monte-Carlo calculations in complex geometry is excessive for routine design calculations and the capacity of the present codes is inadequate for the proper treatment of large reactor shield systems in three dimensions. In these circumstances a wide range of simpler techniques are currently being employed for design calculations. The methods of calculation for neutrons in reactor shields fall naturally into four categories: Multigroup diffusion theory; Multigroup diffusion with removal sources; Transport codes; and Monte Carlo methods. In spite of the numerous Monte- Carlo techniques which are available for penetration and back scattering, serious problems are still encountered in practice with the scattering of gamma rays from walls of buildings which contain critical facilities and also concrete-lined discharge shafts containing irradiated fuel elements. The considerable volume of data in the unclassified literature on the solution of problems of this type in civil defence work appears not to have been evaluated for reactor shield design. In

  12. Lectures on pulsed NMR

    International Nuclear Information System (INIS)

    Pines, A.

    1988-08-01

    These lectures discuss some recent developments in pulsed NMR, emphasizing fundamental principles with selected illustrative applications. Major topics covered include multiple-quantum spectroscopy, spin decoupling, the interaction of spins with a quantized field, adiabatic rapid passage, spin temperature and statistics of cross-polarization, coherent averaging, and zero field NMR. 32 refs., 56 figs

  13. Lectures on pulsed NMR

    International Nuclear Information System (INIS)

    Pines, A.

    1986-09-01

    These lectures discuss some recent developments in pulsed NMR, emphasizing fundamental principles with selected illustrative applications. Major topics covered include multiple-quantum spectroscopy, spin decoupling, the interaction of spins with a quantized field, adiabatic rapid passage, spin temperature and statistics of cross-polarization, coherent averaging, and zero field NMR. 55 figs

  14. Combined Approach for the Structural Characterization of Alkali Fluoroscandates: Solid-State NMR, Powder X-ray Diffraction, and Density Functional Theory Calculations.

    Science.gov (United States)

    Rakhmatullin, Aydar; Polovov, Ilya B; Maltsev, Dmitry; Allix, Mathieu; Volkovich, Vladimir; Chukin, Andrey V; Boča, Miroslav; Bessada, Catherine

    2018-02-05

    The structures of several fluoroscandate compounds are presented here using a characterization approach combining powder X-ray diffraction and solid-state NMR. The structure of K 5 Sc 3 F 14 was fully determined from Rietveld refinement performed on powder X-ray diffraction data. Moreover, the local structures of NaScF 4 , Li 3 ScF 6 , KSc 2 F 7 , and Na 3 ScF 6 compounds were studied in detail from solid-state 19 F and 45 Sc NMR experiments. The 45 Sc chemical shift ranges for six- and seven-coordinated scandium environments were defined. The 19 F chemical shift ranges for bridging and terminal fluorine atoms were also determined. First-principles calculations of the 19 F and 45 Sc NMR parameters were carried out using plane-wave basis sets and periodic boundary conditions (CASTEP), and the results were compared with the experimental data. A good agreement between the calculated shielding constants and experimental chemical shifts was obtained. This demonstrates the good potential of computational methods in spectroscopic assignments of solid-state 45 Sc NMR spectroscopy.

  15. External dosimetry sources and shielding

    International Nuclear Information System (INIS)

    Calisto, Washington

    1994-01-01

    A definition of external dosimetry r external sources dosimetry,physical and mathematical treatment of the interaction of gamma radiation with a minimal area in that direction. Concept of attenuation coefficient, cumulated effect by polyenergetic sources, exposition rate, units, cumulated dose,shielding, foton shielding, depth calculation, materials used for shielding.Beta shielding, consideration of range and maximum β energy , low stopping radiation by use of low Z shielding. Tables for β energy of β emitters, I (tau) factor, energy-range curves for β emitters in aqueous media, gamma attenuation factors for U, W and Pb. Y factor for bone tissue,muscle and air, build-up factors

  16. Radiation shielding calculation using MCNP

    International Nuclear Information System (INIS)

    Masukawa, Fumihiro

    2001-01-01

    To verify the Monte Carlo code MCNP4A as a tool to generate the reference data in the shielding designs and the safety evaluations, various shielding benchmark experiments were analyzed using this code. These experiments were categorized in three types of the shielding subjects; bulk shielding, streaming, and skyshine. For the variance reduction technique, which is indispensable to get meaningful results with the Monte Carlo shielding calculation, we mainly used the weight window, the energy dependent Russian roulette and spitting. As a whole, our analyses performed enough small statistical errors and showed good agreements with these experiments. (author)

  17. Use of computer graphics for calculation of stability constants of praseodymium tris-(1,1,1,2,2,3,3,5-octafluoro-5-trifluromethyl-4-oxo-8-phenyloctanedion-6,8) adduct with 4-picoline from the NMR spectroscopy data

    International Nuclear Information System (INIS)

    Buiklinskij, V.D.; Kuznetsova, S.L.; Kostyrina, T.V.; Panyushkina, V.T.

    1991-01-01

    Lanthanide shifting reagent (LSR) on the basis of β-diketone of asymmetric structure, containing heteroatom-oxygen in fluorinated radical, has been synthesized. Adduct formation of LSR synthesized with 4-picoline has been studied by the method of NMR spectroscopy. The composition of the adduct formed, being 1:2, is determined. Stability constant of the adduct considered is calculated by previously suggested method, which consists in taking into account of equilibrium concentrations of the substrate in two experiments. Possibilities of computer graphics for the evaluation of paramters of the mathematical model suggested are demonstrated. The values of stability stepped constants of the adduct are calculated: lg K 1 =3.4±0.1; lg K 2 =2.0±0.1

  18. Shielding benchmark test

    International Nuclear Information System (INIS)

    Kawai, Masayoshi

    1984-01-01

    Iron data in JENDL-2 have been tested by analyzing shielding benchmark experiments for neutron transmission through iron block performed at KFK using CF-252 neutron source and at ORNL using collimated neutron beam from reactor. The analyses are made by a shielding analysis code system RADHEAT-V4 developed at JAERI. The calculated results are compared with the measured data. As for the KFK experiments, the C/E values are about 1.1. For the ORNL experiments, the calculated values agree with the measured data within an accuracy of 33% for the off-center geometry. The d-t neutron transmission measurements through carbon sphere made at LLNL are also analyzed preliminarily by using the revised JENDL data for fusion neutronics calculation. (author)

  19. Neutron shielding material

    International Nuclear Information System (INIS)

    Suzuki, Shigenori; Iimori, Hiroshi; Kobori, Junzo.

    1980-01-01

    Purpose: To provide a neutron shielding material which incorporates preferable shielding capacity, heat resistance, fire resistance and workability by employing a mixture of thermosetting resin, polyethylene and aluminium hydroxide in special range ratio and curing it. Constitution: A mixture containing 20 to 60% by weight of thermosetting resin having preferable heat resistance, 10 to 40% by weight of polyethylene powder having high hydrogen atom density and 1000 to 60000 of molecular weight, and 15 to 55% by weight of Al(OH) 3 for imparting fire resistance and self-fire extinguishing property thereto is cured. At this time approx. 0.5 to 5% of curing catalyst of the thermosetting resin is contained in 100 parts by weight of the mixture. (Sekiya, K.)

  20. Radiation shielding wall structure

    International Nuclear Information System (INIS)

    Nishimura, Yoshitaka; Oka, Shinji; Kan, Toshihiko; Misato, Takeshi.

    1990-01-01

    A space between a pair of vertical steel plates laterally disposed in parallel at an optional distance has a structure of a plurality of vertically extending tranks partitioned laterally by vertically placed steel plates. Then, cements are grouted to the tranks. Strip-like steel plates each having a thickness greater than the gap between the each of the vertically placed steel plates and the cement are bonded each at the surface for each of the vertically placed steel plates opposing to the cements. A protrusion of a strip width having radiation shielding performance substantially identical with that by the thickness of the cement is disposed in the strip-like steel plates. With such a constitution, a safety radiation shielding wall structure with no worry of radiation intrusion to gaps, if formed, between the steel plates and the grouted cements due to shrinkage of the cements. (I.N.)

  1. Radiation shielding material

    International Nuclear Information System (INIS)

    Kawakubo, Takamasa; Yamada, Fumiyuki; Nakazato, Kenjiro.

    1976-01-01

    Purpose: To provide a material, which is used for printing a samples name and date on an X-ray photographic film at the same time an X-ray radiography. Constitution: A radiation shielding material of a large mass absorption coefficient such as lead oxide, barium oxide, barium sulfate, etc. is added to a solution of a radiation permeable substance capable of imparting cold plastic fluidity (such as microcrystalline wax, paraffin, low molecular polyethylene, polyvinyl chloride, etc.). The resultant system is agitated and then cooled, and thereafter it is press fitted to or bonded to a base in the form of a film of a predetermined thickness. This radiation shielding layer is scraped off by using a writing tool to enter information to be printed in a photographic film, and then it is laid over the film and exposed to X-radiation to thereby print the information on the film. (Seki, T.)

  2. Multilayer radiation shield

    Science.gov (United States)

    Urbahn, John Arthur; Laskaris, Evangelos Trifon

    2009-06-16

    A power generation system including: a generator including a rotor including a superconductive rotor coil coupled to a rotatable shaft; a first prime mover drivingly coupled to the rotatable shaft; and a thermal radiation shield, partially surrounding the rotor coil, including at least a first sheet and a second sheet spaced apart from the first sheet by centripetal force produced by the rotatable shaft. A thermal radiation shield for a generator including a rotor including a super-conductive rotor coil including: a first sheet having at least one surface formed from a low emissivity material; and at least one additional sheet having at least one surface formed from a low emissivity material spaced apart from the first sheet by centripetal force produced by the rotatable shaft, wherein each successive sheet is an incrementally greater circumferential arc length and wherein the centripetal force shapes the sheets into a substantially catenary shape.

  3. Light shielding apparatus

    Science.gov (United States)

    Miller, Richard Dean; Thom, Robert Anthony

    2017-10-10

    A light shielding apparatus for blocking light from reaching an electronic device, the light shielding apparatus including left and right support assemblies, a cross member, and an opaque shroud. The support assemblies each include primary support structure, a mounting element for removably connecting the apparatus to the electronic device, and a support member depending from the primary support structure for retaining the apparatus in an upright orientation. The cross member couples the left and right support assemblies together and spaces them apart according to the size and shape of the electronic device. The shroud may be removably and adjustably connectable to the left and right support assemblies and configured to take a cylindrical dome shape so as to form a central space covered from above. The opaque shroud prevents light from entering the central space and contacting sensitive elements of the electronic device.

  4. Shielding container for radioactive isotopes

    International Nuclear Information System (INIS)

    Sumi, Tetsuo; Tosa, Masayoshi; Hatogai, Tatsuaki.

    1975-01-01

    Object: To effect opening and closing bidirectional radiation used particularly for a gamma densimeter or the like by one operation. Structure: This device comprises a rotatable shielding body for receiving radioactive isotope in the central portion thereof and having at least two radiation openings through which radiation is taken out of the isotope, and a shielding container having openings corresponding to the first mentioned radiation openings, respectively. The radioactive isotope is secured to a rotational shaft of the shielding body, and the shielding body is rotated to register the openings of the shielding container with the openings of the shielding body or to shield the openings, thereby effecting radiation and cut off of gamma ray in the bidirection by one operation. (Kamimura, M.)

  5. Primary shield displacement and bowing

    International Nuclear Information System (INIS)

    Scott, K.V.

    1978-01-01

    The reactor primary shield is constructed of high density concrete and surrounds the reactor core. The inlet, outlet and side primary shields were constructed in-place using 2.54 cm (1 in) thick steel plates as the forms. The plates remained as an integral part of the shields. The elongation of the pressure tubes due to thermal expansion and pressurization is not moving through the inlet nozzle hardware as designed but is accommodated by outward displacement and bowing of the inlet and outlet shields. Excessive distortion of the shields may result in gas seal failures, intolerable helium gas leaks, increased argon-41 emissions, and shield cooling tube failures. The shield surveillance and testing results are presented

  6. Shielding calculations using FLUKA

    International Nuclear Information System (INIS)

    Yamaguchi, Chiri; Tesch, K.; Dinter, H.

    1988-06-01

    The dose equivalent on the surface of concrete shielding has been calculated using the Monte Carlo code FLUKA86 for incident proton energies from 10 to 800 GeV. The results have been compared with some simple equations. The value of the angular dependent parameter in Moyer's equation has been calculated from the locations where the values of the maximum dose equivalent occur. (author)

  7. Teaching NMR spectra analysis with nmr.cheminfo.org.

    Science.gov (United States)

    Patiny, Luc; Bolaños, Alejandro; Castillo, Andrés M; Bernal, Andrés; Wist, Julien

    2018-06-01

    Teaching spectra analysis and structure elucidation requires students to get trained on real problems. This involves solving exercises of increasing complexity and when necessary using computational tools. Although desktop software packages exist for this purpose, nmr.cheminfo.org platform offers students an online alternative. It provides a set of exercises and tools to help solving them. Only a small number of exercises are currently available, but contributors are invited to submit new ones and suggest new types of problems. Copyright © 2018 John Wiley & Sons, Ltd.

  8. Theoretical predictions of the two-dimensional solid-state NMR spectra: a case study of the 13C-1H correlations in metergoline

    Czech Academy of Sciences Publication Activity Database

    Czernek, Jiří; Brus, Jiří

    2013-01-01

    Roč. 586, 24 October (2013), s. 56-60 ISSN 0009-2614 Institutional support: RVO:61389013 Keywords : NMR * shielding * metergoline Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 1.991, year: 2013

  9. Shielding calculations for NET

    International Nuclear Information System (INIS)

    Verschuur, K.A.; Hogenbirk, A.

    1991-05-01

    In the European Fusion Technology Programme there is only a small activity on research and development for fusion neutronics. Never-the-less, looking further than blanket design now, as ECN is getting involved in design of radiation shields for the coils and biological shields, it becomes apparent that fusion neutronics as a whole still needs substantial development. Existing exact codes for calculation of complex geometries like MCNP and DORT/TORT are put over the limits of their numerical capabilities, whilst approximate codes for complex geometries like FURNACE and MERCURE4 are put over the limits of their modelling capabilities. The main objective of this study is just to find out how far we can get with existing codes in obtaining reliable values for the radiation levels inside and outside the cryostat/shield during operation and after shut-down. Starting with a 1D torus model for preliminary parametric studies, more dimensional approximation of the torus or parts of it including the main heterogeneities should follow. Regular contacts with the NET-Team are kept, to be aware of main changes in NET design that might affect our calculation models. Work on the contract started 1 July 1990. The technical description of the contract is given. (author). 14 refs.; 4 figs.; 1 tab

  10. Methodology of shielding calculation for nuclear reactors

    International Nuclear Information System (INIS)

    Maiorino, J.R.; Mendonca, A.G.; Otto, A.C.; Yamaguchi, Mitsuo

    1982-01-01

    A methodology of calculation that coupling a serie of computer codes in a net that make the possibility to calculate the radiation, neutron and gamma transport, is described, for deep penetration problems, typical of nuclear reactor shielding. This net of calculation begining with the generation of constant multigroups, for neutrons and gamma, by the AMPX system, coupled to ENDF/B-IV data library, the transport calculation of these radiations by ANISN, DOT 3.5 and Morse computer codes, up to the calculation of absorbed doses and/or equivalents buy SPACETRAN code. As examples of the calculation method, results from benchmark n 0 6 of Shielding Benchmark Problems - ORNL - RSIC - 25, namely Neutron and Secondary Gamma Ray fluence transmitted through a Slab of Borated Polyethylene, are presented. (Author) [pt

  11. Boron filled siloxane polymers for radiation shielding

    Science.gov (United States)

    Labouriau, Andrea; Robison, Tom; Shonrock, Clinton; Simmonds, Steve; Cox, Brad; Pacheco, Adam; Cady, Carl

    2018-03-01

    The purpose of the present work was to evaluate changes to structure-property relationships of 10B filled siloxane-based polymers when exposed to nuclear reactor radiation. Highly filled polysiloxanes were synthesized with the intent of fabricating materials that could shield high neutron fluences. The newly formulated materials consisted of cross-linked poly-diphenyl-methylsiloxane filled with natural boron and carbon nanofibers. This polymer was chosen because of its good thermal and chemical stabilities, as well as resistance to ionizing radiation thanks to the presence of aromatic groups in the siloxane backbone. Highly isotopically enriched 10B filler was used to provide an efficient neutron radiation shield, and carbon nanofibers were added to improve mechanical strength. This novel polymeric material was exposed in the Annular Core Research Reactor (ACRR) at Sandia National Labs to five different neutron/gamma fluxes consisting of very high neutron fluences within very short time periods. Thermocouples placed on the specimens recorded in-situ temperature changes during radiation exposure, which agreed well with those obtained from our MCNP simulations. Changes in the microstructural, thermal, chemical, and mechanical properties were evaluated by SEM, DSC, TGA, FT-IR NMR, solvent swelling, and uniaxial compressive load measurements. Our results demonstrate that these newly formulated materials are well-suitable to be used in applications that require exposure to different types of ionizing conditions that take place simultaneously.

  12. Comprehensive analysis of shielding effectiveness for HDPE, BPE and concrete as candidate materials for neutron shielding

    International Nuclear Information System (INIS)

    Dhang, Prosenjit; Verma, Rishi; Shyam, Anurag

    2015-01-01

    In the compact accelerator based DD neutron generator, the deuterium ions generated by the ion source are accelerated after the extraction and bombarded to a deuterated titanium target. The emitted neutrons have typical energy of ∼2.45MeV. Utilization of these compact accelerator based neutron generators of yield up to 10 9 neutron/second (DD) is under active consideration in many research laboratories for conducting active neutron interrogation experiments. Requirement of an adequately shielded laboratory is mandatory for the effective and safe utilization of these generators for intended applications. In this reference, we report the comprehensive analysis of shielding effectiveness for High Density Polyethylene (HDPE), Borated Polyethylene (BPE) and Concrete as candidate materials for neutron shielding. In shielding calculations, neutron induced scattering and absorption gamma dose has also been considered along with neutron dose. Contemporarily any material with higher hydrogenous concentration is best suited for neutron shielding. Choice of shielding material is also dominated by practical issues like economic viability and availability of space. Our computational analysis results reveal that utilization of BPE sheets results in minimum wall thickness requirement for attaining similar range of attenuation in neutron and gamma dose. The added advantage of using borated polyethylene is that it reduces the effect of both neutron and gamma dose by absorbing neutron and producing lithium and alpha particle. It has also been realized that for deciding upon optimum thickness determination of any shielding material, three important factors to be necessarily considered are: use factor, occupancy factor and work load factor. (author)

  13. Ford motor company NDE facility shielding design

    International Nuclear Information System (INIS)

    Metzger, R. L.; Van Riper, K. A.; Jones, M. H.

    2005-01-01

    Ford Motor Company proposed the construction of a large non-destructive evaluation laboratory for radiography of automotive power train components. The authors were commissioned to design the shielding and to survey the completed facility for compliance with radiation doses for occupationally and non-occupationally exposed personnel. The two X-ray sources are Varian Linatron 3000 accelerators operating at 9-11 MV. One performs computed tomography of automotive transmissions, while the other does real-time radiography of operating engines and transmissions. The shield thickness for the primary barrier and all secondary barriers were determined by point-kernel techniques. Point-kernel techniques did not work well for skyshine calculations and locations where multiple sources (e.g. tube head leakage and various scatter fields) impacted doses. Shielding for these areas was determined using transport calculations. A number of MCNP [Briesmeister, J. F. MCNPCA general Monte Carlo N-particle transport code version 4B. Los Alamos National Laboratory Manual (1997)] calculations focused on skyshine estimates and the office areas. Measurements on the operational facility confirmed the shielding calculations. (authors)

  14. Ford Motor Company NDE facility shielding design.

    Science.gov (United States)

    Metzger, Robert L; Van Riper, Kenneth A; Jones, Martin H

    2005-01-01

    Ford Motor Company proposed the construction of a large non-destructive evaluation laboratory for radiography of automotive power train components. The authors were commissioned to design the shielding and to survey the completed facility for compliance with radiation doses for occupationally and non-occupationally exposed personnel. The two X-ray sources are Varian Linatron 3000 accelerators operating at 9-11 MV. One performs computed tomography of automotive transmissions, while the other does real-time radiography of operating engines and transmissions. The shield thickness for the primary barrier and all secondary barriers were determined by point-kernel techniques. Point-kernel techniques did not work well for skyshine calculations and locations where multiple sources (e.g. tube head leakage and various scatter fields) impacted doses. Shielding for these areas was determined using transport calculations. A number of MCNP [Briesmeister, J. F. MCNPCA general Monte Carlo N-particle transport code version 4B. Los Alamos National Laboratory Manual (1997)] calculations focused on skyshine estimates and the office areas. Measurements on the operational facility confirmed the shielding calculations.

  15. A contribution to shielding effectiveness analysis of shielded tents

    Directory of Open Access Journals (Sweden)

    Vranić Zoran M.

    2004-01-01

    Full Text Available An analysis of shielding effectiveness (SE of the shielded tents made of the metallised fabrics is given. First, two electromagnetic characteristic fundamental for coupling through electrically thin shield, the skin depth break frequency and the surface resistance or transfer impedance, is defined and analyzed. Then, the transfer function and the SE are analyzed regarding to the frequency range of interest to the Electromagnetic Compatibility (EMC Community.

  16. Analysis methods for Kevlar shield response to rotor fragments

    Science.gov (United States)

    Gerstle, J. H.

    1977-01-01

    Several empirical and analytical approaches to rotor burst shield sizing are compared and principal differences in metal and fabric dynamic behavior are discussed. The application of transient structural response computer programs to predict Kevlar containment limits is described. For preliminary shield sizing, present analytical methods are useful if insufficient test data for empirical modeling are available. To provide other information useful for engineering design, analytical methods require further developments in material characterization, failure criteria, loads definition, and post-impact fragment trajectory prediction.

  17. A novel synthesis of octahydropyrido[3,2-c]carbazole framework of aspidospermidine alkaloids and a combined computational, FT-IR, NMR, NBO, NLO, FMO, MEP study of the cis-4a-Ethyl-1-(2hydroxyethyl)-2,3,4,4a,5,6,7,11c-octahydro-1H-pyrido[3,2-c]carbazole

    Science.gov (United States)

    Uludağ, Nesimi; Serdaroğlu, Goncagul; Yinanc, Abdullah

    2018-06-01

    In this study, we performed a novel synthesis of the octahydropyrido[3,2-c]carbazole derivative 6 from 1 in five steps with a 34% overall yield. We also developed a unique compound 2 by a cyclization reaction from the cyanoethylation of compound 1, which is an intermediate step in the synthesis of Aspidospermidine. The parent compound of Aspidospermidine alkaloids, comprise a large family of diverse structures. As a result, we obtained octahydropyrido[3,2-c]carbazole (6)and the proposed method may be applicable to other alkaloids. All quantum chemical calculations of the cis-4a-Ethyl-1-(2-hydroxyethyl)-2,3,4,4a,5,6,7,11c-octahydro-1H-pyrido[3,2-c]carbazole have been performed with the DFT/B3LYP and HF methods by using the Gaussian 09W software package. The most stable conformer obtained from the Potential Energy Surface (PES) scan analysis at the B3LYP/6-31G** level of theory in the gas phase was used as the starting structure of the title compound to further computational analysis. The Natural Bond Orbital (NBO) and NLO analyses were performed to evaluate the intra-molecular interactions contributing to the molecular stability and to predict the optical properties of the title compound, respectively. Gauge-Independent Atomic Orbital (GIAO) approach was used to determine the 1H and 1C NMR chemical shifts of the title compound by subtracting the shielding constants of TMS at both methods. The calculated vibrational frequencies of the title compound were assigned by using the VEDA program and were scaled down by using the scaling factor 0.9668 for B3LYP/6-311++G(d, p) and 0.9050 for HF/6-311++G(d, p) to improve the calculated vibrational frequencies. The FMO (frontier molecular orbital) analysis was evaluated to predict the chemical and physical properties of the title compound and the HOMO, LUMO, and MEP diagrams were visualized by GaussView 4.1 program to present the reactive site of the title compound.

  18. Radiation shielding quality assurance

    Science.gov (United States)

    Um, Dallsun

    For the radiation shielding quality assurance, the validity and reliability of the neutron transport code MCNP, which is now one of the most widely used radiation shielding analysis codes, were checked with lot of benchmark experiments. And also as a practical example, follows were performed in this thesis. One integral neutron transport experiment to measure the effect of neutron streaming in iron and void was performed with Dog-Legged Void Assembly in Knolls Atomic Power Laboratory in 1991. Neutron flux was measured six different places with the methane detectors and a BF-3 detector. The main purpose of the measurements was to provide benchmark against which various neutron transport calculation tools could be compared. Those data were used in verification of Monte Carlo Neutron & Photon Transport Code, MCNP, with the modeling for that. Experimental results and calculation results were compared in both ways, as the total integrated value of neutron fluxes along neutron energy range from 10 KeV to 2 MeV and as the neutron spectrum along with neutron energy range. Both results are well matched with the statistical error +/-20%. MCNP results were also compared with those of TORT, a three dimensional discrete ordinates code which was developed by Oak Ridge National Laboratory. MCNP results are superior to the TORT results at all detector places except one. This means that MCNP is proved as a very powerful tool for the analysis of neutron transport through iron & air and further it could be used as a powerful tool for the radiation shielding analysis. For one application of the analysis of variance (ANOVA) to neutron and gamma transport problems, uncertainties for the calculated values of critical K were evaluated as in the ANOVA on statistical data.

  19. Contaminant deposition building shielding factors for US residential structures

    International Nuclear Information System (INIS)

    Dickson, E D; Hamby, D M; Eckerman, K F

    2015-01-01

    This paper presents validated building shielding factors designed for contemporary US housing-stock under an idealized, yet realistic, exposure scenario from contaminant deposition on the roof and surrounding surfaces. The building shielding factors are intended for use in emergency planning and level three probabilistic risk assessments for a variety of postulated radiological events in which a realistic assessment is necessary to better understand the potential risks for accident mitigation and emergency response planning. Factors are calculated from detailed computational housing-units models using the general-purpose Monte Carlo N-Particle computational code, MCNP5, and are benchmarked from a series of narrow- and broad-beam measurements analyzing the shielding effectiveness of ten common general-purpose construction materials and ten shielding models representing the primary weather barriers (walls and roofs) of likely US housing-stock. Each model was designed to scale based on common residential construction practices and include, to the extent practical, all structurally significant components important for shielding against ionizing radiation. Calculations were performed for floor-specific locations from contaminant deposition on the roof and surrounding ground as well as for computing a weighted-average representative building shielding factor for single- and multi-story detached homes, both with and without basement as well for single-wide manufactured housing-unit. (paper)

  20. Cloud immersion building shielding factors for US residential structures

    International Nuclear Information System (INIS)

    Dickson, E D; Hamby, D M

    2014-01-01

    This paper presents validated building shielding factors designed for contemporary US housing-stock under an idealized, yet realistic, exposure scenario within a semi-infinite cloud of radioactive material. The building shielding factors are intended for use in emergency planning and level three probabilistic risk assessments for a variety of postulated radiological events in which a realistic assessment is necessary to better understand the potential risks for accident mitigation and emergency response planning. Factors are calculated from detailed computational housing-units models using the general-purpose Monte Carlo N-Particle computational code, MCNP5, and are benchmarked from a series of narrow- and broad-beam measurements analyzing the shielding effectiveness of ten common general-purpose construction materials and ten shielding models representing the primary weather barriers (walls and roofs) of likely US housing-stock. Each model was designed to scale based on common residential construction practices and include, to the extent practical, all structurally significant components important for shielding against ionizing radiation. Calculations were performed for floor-specific locations as well as for computing a weighted-average representative building shielding factor for single- and multi-story detached homes, both with and without basement, as well for single-wide manufactured housing-units. (paper)

  1. Contaminant deposition building shielding factors for US residential structures.

    Science.gov (United States)

    Dickson, Elijah; Hamby, David; Eckerman, Keith

    2017-10-10

    This paper presents validated building shielding factors designed for contemporary US housing-stock under an idealized, yet realistic, exposure scenario from contaminant deposition on the roof and surrounding surfaces. The building shielding factors are intended for use in emergency planning and level three probabilistic risk assessments for a variety of postulated radiological events in which a realistic assessment is necessary to better understand the potential risks for accident mitigation and emergency response planning. Factors are calculated from detailed computational housing-units models using the general-purpose Monte Carlo N-Particle computational code, MCNP5, and are benchmarked from a series of narrow- and broad-beam measurements analyzing the shielding effectiveness of ten common general-purpose construction materials and ten shielding models representing the primary weather barriers (walls and roofs) of likely US housing-stock. Each model was designed to scale based on common residential construction practices and include, to the extent practical, all structurally significant components important for shielding against ionizing radiation. Calculations were performed for floor-specific locations from contaminant deposition on the roof and surrounding ground as well as for computing a weighted-average representative building shielding factor for single- and multi-story detached homes, both with and without basement as well for single-wide manufactured housing-unit. © 2017 IOP Publishing Ltd.

  2. Shielding calculation for treatment rooms of high energy linear accelerator

    International Nuclear Information System (INIS)

    Elleithy, M.A.

    2006-01-01

    A review of German Institute of Standardization (DIN) scheme of the shielding calculation and the essential data required has been done for X-rays and electron beam in the energy range from 1 MeV to 50 MeV. Shielding calculation was done for primary and secondary radiations generated during X-ray operation of Linac. In addition, shielding was done against X-rays generated (Bremsstrahlung) by useful electron beams. The calculations also covered the neutrons generated from the interactions of useful X-rays (at energies above 8 MeV) with the surrounding. The present application involved the computation of shielding against the double scattered components of X-rays and neutrons in the maze area and the thickness of the paraffin wax of the room door. A new developed computer program was designed to assist shielding thickness calculations for a new Linac installation or in replacing an existing machine. The program used a combination of published tables and figures in computing the shielding thickness at different locations for all possible radiation situations. The DIN published data of 40 MeV accelerator room was compared with the program calculations. It was found that there is good agreement between both calculations. The developed program improved the accuracy and speed of calculation

  3. Neutronic reactor thermal shield

    International Nuclear Information System (INIS)

    Lowe, P.E.

    1976-01-01

    A shield for a nuclear reactor includes at least two layers of alternating wide and narrow rectangular blocks so arranged that the spaces between blocks in adjacent layers are out of registry, each block having an opening therein equally spaced from the sides of the blocks and nearer the top of the block than the bottom, the distance from the top of the block to the opening in one layer being different from this distance in adjacent layers, openings in blocks in adjacent layers being in registry. 1 claim, 7 drawing figures

  4. A shield against distraction

    OpenAIRE

    Halin, N.; Marsh, J.E.; Hellman, A.; Hellstrom, I.; Sörqvist, Patrik

    2014-01-01

    In this paper, we apply the basic idea of a trade-off between the level of concentration and distractibility to test whether a manipulation of task difficulty can shield against distraction. Participants read, either in quiet or with a speech noise background, texts that were displayed either in an easy-to-read or a hard-to-read font. Background speech impaired prose recall, but only when the text was displayed in the easy-to-read font. Most importantly, recall was better in the background sp...

  5. Functional studies using NMR

    International Nuclear Information System (INIS)

    McCready, V.R.; Leach, M.O.; Sutton; Ell, P.

    1986-01-01

    The object of this book is to discuss and evaluate an area of Nuclear Magnetic Resonance which to date has been less emphasized than it might be, namely the use of NMR for functional studies. The book commences with a discussion of the areas in which the NMR techniques might be needed due to deficiencies in other techniques. The physics of NMR especially relating to functional measurement are then explained. Technical factors in producing functional images are discussed and the use of paramagnetic substances for carrying out flow studies are detailed. Particular attention is paid to specific studies in the various organs. The book ends with a survey of imaging in each organ and the relation of NMR images to other techniques such as ultrasound, nuclear medicine and X-rays

  6. Functional studies using NMR

    International Nuclear Information System (INIS)

    McCready, V.R.; Leach, M.; Ell, P.J.

    1987-01-01

    This volume is based on a series of lectures delivered at a one-day teaching symposium on functional and metabolic aspects of NMR measurements held at the Middlesex Hospital Medical School on 1st September 1985 as a part of the European Nuclear Medicine Society Congress. Currently the major emphasis in medical NMR in vivo is on its potential to image and display abnormalities in conventional radiological images, providing increased contrast between normal and abnormal tissue, improved definition of vasculature, and possibly an increased potential for differential diagnosis. Although these areas are undeniably of major importance, it is probable that NMR will continue to complement conventional measurement methods. The major potential benefits to be derived from in vivo NMR measurements are likely to arise from its use as an instrument for functional and metabolic studies in both clinical research and in the everyday management of patients. It is to this area that this volume is directed

  7. NMR of unfolded proteins

    Indian Academy of Sciences (India)

    Unknown

    2005-01-03

    Jan 3, 2005 ... covering all the systems, so far discovered.5,7,8,12. With the increasing ... Structural investigations on proteins by NMR are, currently ... rapid analysis of unfolded proteins. ...... and hence help in design of drugs against them.

  8. Measuring space radiation shielding effectiveness

    OpenAIRE

    Bahadori Amir; Semones Edward; Ewert Michael; Broyan James; Walker Steven

    2017-01-01

    Passive radiation shielding is one strategy to mitigate the problem of space radiation exposure. While space vehicles are constructed largely of aluminum, polyethylene has been demonstrated to have superior shielding characteristics for both galactic cosmic rays and solar particle events due to the high hydrogen content. A method to calculate the shielding effectiveness of a material relative to reference material from Bragg peak measurements performed using energetic heavy charged particles ...

  9. Selective shielding device for scintiphotography

    International Nuclear Information System (INIS)

    Harper, J.W.; Kay, T.D.

    1976-01-01

    A selective shielding device to be used in combination with a scintillation camera is described. The shielding device is a substantially oval-shaped configuration removably secured to the scintillation camera. As a result of this combination scanning of preselected areas of a patient can be rapidly and accurately performed without the requirement of mounting any type of shielding paraphernalia on the patient. 1 claim, 2 drawing figures

  10. Tax Shield, Insolvenz und Zinsschranke

    OpenAIRE

    Arnold, Sven; Lahmann, Alexander; Schwetzler, Bernhard

    2010-01-01

    Dieser Beitrag analysiert den Wertbeitrag fremdfinanzierungsbedingter Steuervorteile (Tax Shield) unter realistischen Bedingungen (keine Negativsteuer; mögliche Insolvenz) für unterschiedliche Finanzierungspolitiken. Zusätzlich wird der Effekt der sogenannten Zinsschranke auf den Wert des Tax Shield ermittelt. Die Bewertung des Tax Shield mit und ohne Zinsschranke findet im einperiodigen Fall auf der Basis von Optionspreismodellen und im mehrperiodigen Fall auf der Basis von Monte Carlo Simul...

  11. Recent Advances in Targeted and Untargeted Metabolomics by NMR and MS/NMR Methods

    Energy Technology Data Exchange (ETDEWEB)

    Bingol, Kerem

    2018-04-18

    Metabolomics has made significant progress in multiple fronts in the last 18 months. This minireview aimed to give an overview of these advancements in the light of their contribution to targeted and untargeted metabolomics. New computational approaches have emerged to overcome manual absolute quantitation step of metabolites in 1D 1H NMR spectra. This provides more consistency between inter-laboratory comparisons. Integration of 2D NMR metabolomics databases under a unified web server allowed very accurate identification of the metabolites that have been catalogued in these databases. For the remaining uncatalogued and unknown metabolites, new cheminformatics approaches have been developed by combining NMR and mass spectrometry. These hybrid NMR/MS approaches accelerated the identification of unknowns in untargeted studies, and now they are allowing to profile ever larger number of metabolites in application studies.

  12. Achieving High Accuracy in Calculations of NMR Parameters

    DEFF Research Database (Denmark)

    Faber, Rasmus

    quantum chemical methods have been developed, the calculation of NMR parameters with quantitative accuracy is far from trivial. In this thesis I address some of the issues that makes accurate calculation of NMR parameters so challenging, with the main focus on SSCCs. High accuracy quantum chemical......, but no programs were available to perform such calculations. As part of this thesis the CFOUR program has therefore been extended to allow the calculation of SSCCs using the CC3 method. CC3 calculations of SSCCs have then been performed for several molecules, including some difficult cases. These results show...... vibrations must be included. The calculation of vibrational corrections to NMR parameters has been reviewed as part of this thesis. A study of the basis set convergence of vibrational corrections to nuclear shielding constants has also been performed. The basis set error in vibrational correction...

  13. NMR imaging of cell phone radiation absorption in brain tissue

    Science.gov (United States)

    Gultekin, David H.; Moeller, Lothar

    2013-01-01

    A method is described for measuring absorbed electromagnetic energy radiated from cell phone antennae into ex vivo brain tissue. NMR images the 3D thermal dynamics inside ex vivo bovine brain tissue and equivalent gel under exposure to power and irradiation time-varying radio frequency (RF) fields. The absorbed RF energy in brain tissue converts into Joule heat and affects the nuclear magnetic shielding and the Larmor precession. The resultant temperature increase is measured by the resonance frequency shift of hydrogen protons in brain tissue. This proposed application of NMR thermometry offers sufficient spatial and temporal resolution to characterize the hot spots from absorbed cell phone radiation in aqueous media and biological tissues. Specific absorption rate measurements averaged over 1 mg and 10 s in the brain tissue cover the total absorption volume. Reference measurements with fiber optic temperature sensors confirm the accuracy of the NMR thermometry. PMID:23248293

  14. The installation of a commercial resistive NMR imager

    International Nuclear Information System (INIS)

    Smith, M.A.; Best, J.J.K.; Douglas, R.H.B.; Kean, D.M.

    1984-01-01

    It has been demonstrated that a relatively low-cost resistive NMR imager can be installed in a normal hospital environment without many major or expensive modifications. The magnet can be adjusted to give adequate uniformity and there is sufficient RF shielding to give good quality clinical images. The fringe field of the magnet of this system, which operates at the lowest field strength of any commercial NMR imager, does not present a problem to imaging unit staff. The long term reliability and detailed specifications with regard to image quality have yet to be determined. These will be determined whilst the imager is being used for clinical studies as part of the national clinical evaluation of NMR imaging supported by the Medical Research Council. (author)

  15. SHIELD verification and validation report

    International Nuclear Information System (INIS)

    Boman, C.

    1992-02-01

    This document outlines the verification and validation effort for the SHIELD, SHLDED, GEDIT, GENPRT, FIPROD, FPCALC, and PROCES modules of the SHIELD system code. Along with its predecessors, SHIELD has been in use at the Savannah River Site (SRS) for more than ten years. During this time the code has been extensively tested and a variety of validation documents have been issued. The primary function of this report is to specify the features and capabilities for which SHIELD is to be considered validated, and to reference the documents that establish the validation

  16. Multifunctional Hot Structure Heat Shield

    Data.gov (United States)

    National Aeronautics and Space Administration — This project is performing preliminary development of a Multifunctional Hot Structure (HOST) heat shield for planetary entry. Results of this development will...

  17. Radiation shield for nuclear reactors

    International Nuclear Information System (INIS)

    Weissenfluh, J.A.

    1978-01-01

    A shield for use with nuclear reactor systems to attenuate radiation resulting from reactor operation is described. The shield comprises a container preferably of a thin, flexible or elastic material, which may be in the form of a bag, a mattress, a toroidal segment or toroid or the like filled with radiation attenuating liuid. Means are provided in the container for filling and draining the container in place. Due to its flexibility, the shield readily conforms to irregularities in surfaces with which it may be in contact in a shielding position

  18. FT-IR, FT-Raman, NMR spectra, density functional computations of the vibrational assignments (for monomer and dimer) and molecular geometry of anticancer drug 7-amino-2-methylchromone

    Science.gov (United States)

    Mariappan, G.; Sundaraganesan, N.

    2014-04-01

    Vibrational assignments for the 7-amino-2-methylchromone (abbreviated as 7A2MC) molecule using a combination of experimental vibrational spectroscopic measurements and ab initio computational methods are reported. The optimized geometry, intermolecular hydrogen bonding, first order hyperpolarizability and harmonic vibrational wavenumbers of 7A2MC have been investigated with the help of B3LYP density functional theory method. The calculated molecular geometry parameters, the theoretically computed vibrational frequencies for monomer and dimer and relative peak intensities were compared with experimental data. DFT calculations using the B3LYP method and 6-31 + G(d,p) basis set were found to yield results that are very comparable to experimental IR and Raman spectra. Detailed vibrational assignments were performed with DFT calculations and the potential energy distribution (PED) obtained from the Vibrational Energy Distribution Analysis (VEDA) program. Natural Bond Orbital (NBO) study revealed the characteristics of the electronic delocalization of the molecular structure. 13C and 1H NMR spectra have been recorded and 13C and 1H nuclear magnetic resonance chemical shifts of the molecule have been calculated using the gauge independent atomic orbital (GIAO) method. Furthermore, All the possible calculated values are analyzed using correlation coefficients linear fitting equation and are shown strong correlation with the experimental data.

  19. Theory of NMR probe design

    International Nuclear Information System (INIS)

    Schnall, M.D.

    1988-01-01

    The NMR probe is the intrinsic part of the NMR system which allows transmission of a stimulus to a sample and the reception of a resulting signal from a sample. NMR probes are used in both imaging and spectroscopy. Optimal probe design is important to the production of adequate signal/moise. It is important for anyone using NMR techniques to understand how NMR probes work and how to optimize probe design

  20. New Toroid shielding design

    CERN Multimedia

    Hedberg V

    On the 15th of June 2001 the EB approved a new conceptual design for the toroid shield. In the old design, shown in the left part of the figure above, the moderator part of the shielding (JTV) was situated both in the warm and cold areas of the forward toroid. It consisted both of rings of polyethylene and hundreds of blocks of polyethylene (or an epoxy resin) inside the toroid vacuum vessel. In the new design, shown to the right in the figure above, only the rings remain inside the toroid. To compensate for the loss of moderator in the toroid, the copper plug (JTT) has been reduced in radius so that a layer of borated polyethylene can be placed around it (see figure below). The new design gives significant cost-savings and is easier to produce in the tight time schedule of the forward toroid. Since the amount of copper is reduced the weight that has to be carried by the toroid is also reduced. Outgassing into the toroid vacuum was a potential problem in the old design and this is now avoided. The main ...

  1. SHIELDS Final Technical Report

    Energy Technology Data Exchange (ETDEWEB)

    Jordanova, Vania Koleva [Los Alamos National Lab. (LANL), Los Alamos, NM (United States)

    2017-10-03

    Predicting variations in the near-Earth space environment that can lead to spacecraft damage and failure, i.e. “space weather”, remains a big space physics challenge. A new capability was developed at Los Alamos National Laboratory (LANL) to understand, model, and predict Space Hazards Induced near Earth by Large Dynamic Storms, the SHIELDS framework. This framework simulates the dynamics of the Surface Charging Environment (SCE), the hot (keV) electrons representing the source and seed populations for the radiation belts, on both macro- and micro-scale. In addition to using physics-based models (like RAM-SCB, BATS-R-US, and iPIC3D), new data assimilation techniques employing data from LANL instruments on the Van Allen Probes and geosynchronous satellites were developed. An order of magnitude improvement in the accuracy in the simulation of the spacecraft surface charging environment was thus obtained. SHIELDS also includes a post-processing tool designed to calculate the surface charging for specific spacecraft geometry using the Curvilinear Particle-In-Cell (CPIC) code and to evaluate anomalies' relation to SCE dynamics. Such diagnostics is critically important when performing forensic analyses of space-system failures.

  2. Radiation shielding analysis

    International Nuclear Information System (INIS)

    Moon, S.H.; Ha, C.W.; Kwon, S.K.; Lee, J.K.; Choi, H.S.

    1982-01-01

    The theoretical bases of radiation streaming analysis in power reactors, such as ducts or reactor cavity, have been investigated. Discrete ordinates-Monte Carlo or Monte Carlo-Monte Carlo coupling techniques are suggested for the streaming analysis of ducts or reactor cavity. Single albedo scattering approximation code (SINALB) has been developed for simple and quick estimation of gamma-ray ceiling scattering, where the ceiling is assumed to be semi-infinite medium. This code has been employed to calculate the gamma-ray ceiling scattering effects in the laboratory containing a Co-60 source. The SINALB is applicable to gamma-ray scattering, only where the ceiling is thicker than Σsup(-1) and the height is at least twice higher than the shield wall. This code can be used for the purpose of preliminary radiation shield design. The MORSE code has been improved to analyze the gamma-ray scattering problem with on approximation method in respect to the random walk and estimation processes. This improved MORSE code has been employed to the gamma-ray ceiling scattering problem. The results of the improved MORSE calculation are in good agreement with the SINALB and standard MORSE. (Author)

  3. Human- and computer-accessible 2D correlation data for a more reliable structure determination of organic compounds. Future roles of researchers, software developers, spectrometer managers, journal editors, reviewers, publisher and database managers toward artificial-intelligence analysis of NMR spectra.

    Science.gov (United States)

    Jeannerat, Damien

    2017-01-01

    The introduction of a universal data format to report the correlation data of 2D NMR spectra such as COSY, HSQC and HMBC spectra will have a large impact on the reliability of structure determination of small organic molecules. These lists of assigned cross peaks will bridge signals found in NMR 1D and 2D spectra and the assigned chemical structure. The record could be very compact, human and computer readable so that it can be included in the supplementary material of publications and easily transferred into databases of scientific literature and chemical compounds. The records will allow authors, reviewers and future users to test the consistency and, in favorable situations, the uniqueness of the assignment of the correlation data to the associated chemical structures. Ideally, the data format of the correlation data should include direct links to the NMR spectra to make it possible to validate their reliability and allow direct comparison of spectra. In order to take the full benefits of their potential, the correlation data and the NMR spectra should therefore follow any manuscript in the review process and be stored in open-access database after publication. Keeping all NMR spectra, correlation data and assigned structures together at all time will allow the future development of validation tools increasing the reliability of past and future NMR data. This will facilitate the development of artificial intelligence analysis of NMR spectra by providing a source of data than can be used efficiently because they have been validated or can be validated by future users. Copyright © 2016 John Wiley & Sons, Ltd. Copyright © 2016 John Wiley & Sons, Ltd.

  4. Deuteron NMR and modelling in solid polymers

    International Nuclear Information System (INIS)

    Hirschinger, J.

    1992-01-01

    Deuteron NMR techniques are described and some recent applications to the study of rotational motions in solid polymers are reviewed. The information content and the domain of applicability of each technique are presented. Ultra-slow motions are studied in real time without any motional model consideration. For very fast motions, computer molecular dynamics simulations are shown to complement the NMR results. Experimental examples deal with the chain motion in the crystalline α-phase of poly(vinylidenefluoride) and nylon 6,6

  5. Thick Galactic Cosmic Radiation Shielding Using Atmospheric Data

    Science.gov (United States)

    Youngquist, Robert C.; Nurge, Mark A.; Starr, Stanley O.; Koontz, Steven L.

    2013-01-01

    NASA is concerned with protecting astronauts from the effects of galactic cosmic radiation and has expended substantial effort in the development of computer models to predict the shielding obtained from various materials. However, these models were only developed for shields up to about 120 g!cm2 in thickness and have predicted that shields of this thickness are insufficient to provide adequate protection for extended deep space flights. Consequently, effort is underway to extend the range of these models to thicker shields and experimental data is required to help confirm the resulting code. In this paper empirically obtained effective dose measurements from aircraft flights in the atmosphere are used to obtain the radiation shielding function of the earth's atmosphere, a very thick shield. Obtaining this result required solving an inverse problem and the method for solving it is presented. The results are shown to be in agreement with current code in the ranges where they overlap. These results are then checked and used to predict the radiation dosage under thick shields such as planetary regolith and the atmosphere of Venus.

  6. Activation of the concrete in the bio shield of ITER

    International Nuclear Information System (INIS)

    Kalcheva, S.

    2005-02-01

    Calculations of neutron spectra in different parts of the tokamak building of ITER are performed. A computational geometry model of the tokamak building is prepared using MCNP-4C. The model includes adequate material composition and geometry description of the main parts of the tokamak for PPCS plant model A: toroidal field coils, vacuum vessel, shield, blanket structure, first wall, divertor, 14.1 MeV neutron source. The design and the dimensions of the bio shield are taken from the current ITER design. MCNP calculations of the neutron spectra in the bio shield (concrete) of ITER are performed, using the neutron spectra in TF coils calculated at UKAEA as external neutron source. The neutron spectra in the concrete calculated by MCNP are used as input data in the code EASY99 for estimations of the activation of the concrete in the bio shield around the tokamak. The time evolutions of the maximum (in the bio shield floor) and minimum (in the bio shield side walls) specific activity (Bq/kg) and dose rate (Sv/h.) of the main dominant nuclides in the concrete are evaluated and compared for 3 different concrete types, used as biological shield in the PWR and BR3 reactors. (author)

  7. Numerical simulation of a reinforced concrete shield around a nuclear reactor

    International Nuclear Information System (INIS)

    Mahama, Mumuni Salifu

    1996-02-01

    Ghana currently operates a Research Reactor and other nuclear facilities including a Gamma Irradiation Facility, a Radiographic Non-Destructive Testing laboratory and would be operating in the nearest future a Radiotherapy Centre. Each of these has a concrete radiation shield as a major safety device. In carrying out its functions, a concrete radiation shield may be subjected to thermal and mechanical stresses. A facility for analysing these stresses is desirable. Two computer codes have been developed under this programme for radiation shielding computation and stress analysis of cylindrical reactor shields. (au)

  8. Shielding from cosmic radiation for interplanetary missions Active and passive methods

    CERN Document Server

    Spillantini, P; Durante, M; Müller-Mellin, R; Reitz, G; Rossi, L; Shurshakov, V; Sorbi, M

    2007-01-01

    Shielding is arguably the main countermeasure for the exposure to cosmic radiation during interplanetary exploratory missions. However, shielding of cosmic rays, both of galactic or solar origin, is problematic, because of the high energy of the charged particles involved and the nuclear fragmentation occurring in shielding materials. Although computer codes can predict the shield performance in space, there is a lack of biological and physical measurements to benchmark the codes. An attractive alternative to passive, bulk material shielding is the use of electromagnetic fields to deflect the charged particles from the spacecraft target. Active shielding concepts based on electrostatic fields, plasma, or magnetic fields have been proposed in the past years, and should be revised based on recent technological improvements. To address these issues, the European Space Agency (ESA) established a Topical Team (TT) in 2002 including European experts in the field of space radiation shielding and superconducting magn...

  9. NMR characteristics of low-grade glioma. Comparison with CT

    Energy Technology Data Exchange (ETDEWEB)

    Asato, Reinin; Tokuriki, Yasuhiko; Nakano, Yoshihisa; Itoh, Harumi; Torizuka, Kanji; Ueda, Tohru; Yamashita, Junkoh; Handa, Hajime

    1985-08-01

    Sixteen low-grade gliomas were evaluated both with nuclear magnetic resonance (NMR) imaging and with computed tomography (CT). In 13 cases (81%), the NMR images were much better in tissue contrast than the contrast-enhanced CT images. The tumors were shown as well-circumscribed oval lesions in the NMR, though they appeared as ill-defined, irregular, low-attenuation areas in the CT. The extent of the lesion, which was supposed to represent the active tumor tissue, was greater in the NMR than in the CT, because NMR tissue parameters (T/sub 1/, T/sub 2/) are more sensitive to pathological changes in brain tissue than is the X-ray attenuation coefficient. Though, in an optic glioma and a brain-stem astrocytoma, the CT with contrast enhancement displayed the contour of the mass as well as did NMR, it was inferior to the NMR in showing the cephalocaudal extension of the tumors. Calcification does not give a proton NMR signal under the present measuring conditions; thus the calcified cystic wall of a hypothalamic astrocytoma was displayed only in the CT images. In conclusion, the NMR imaging was apparently superior to contrast-enhanced CT in demonstrating the lesions due to low-grade glioma.

  10. Radiation shield for PWR reactors

    International Nuclear Information System (INIS)

    Esenov, Amra; Pustovgar, Andrey

    2013-01-01

    One of the chief structures of a reactor pit is a 'dry' shield. Setting up a 'dry' shield includes the technologically complex process of thermal processing of serpentinite concrete. Modern advances in the area of materials technology permit avoiding this complex and demanding procedure, and this significantly decreases the duration, labor intensity, and cost of setting it up. (orig.)

  11. Nuclear data for radiation shielding

    International Nuclear Information System (INIS)

    Miyasaka, Shunichi; Takahashi, Hiroshi.

    1976-01-01

    The third shielding expert conference was convened in Paris in Oct. 1975 for exchanging informations about the sensitivity evaluation of nuclear data in shielding calculation and integral bench mark experiment. The requirements about nuclear data presented at present from the field of nuclear design do not reflect sufficiently the requirements of shielding design, therefore it was the object to gather the requirements about nuclear data from the field of shielding. The nuclides used for shielding are numerous, and the nuclear data on these isotopes are required. Some of them cannot be ignored as the source of secondary γ-ray or in view of the radioactivation of materials. The requirements for the nuclear data of neutrons in the field of shielding are those concerning the reaction cross sections producing secondary γ-ray, the reaction cross sections including the production of secondary neutrons, elastic scattering cross sections, and total cross sections. The topics in the Paris conference about neutron shielding data are described, such as the methodology of sensitivity evaluation, the standardization of group constant libraries, the bench mark experiment on iron and sodium, and the cross section of γ-ray production. In the shielding of nuclear fission reactors, the γ-ray production owing to nuclear fission reaction is also important. In (d, t) fusion reactors, high energy neutrons are generated, and high energy γ-ray is emitted through giant E1 resonance. (Kako, I.)

  12. Concrete shielding exterior to iron

    International Nuclear Information System (INIS)

    Yurista, P.; Cossairt, D.

    1983-08-01

    A rule of thumb at Fermilab has been to use 3 feet of concrete exterior to iron shielding. A recent design of a shield with a severe dimensional constraint has prompted a re-evaluation of this rule of thumb and has led to the following calculations of the concrete thickness required to nullify this problem. 4 references, 4 figures

  13. Gonad shielding in diagnostic radiology

    International Nuclear Information System (INIS)

    1975-06-01

    The use of gonad shielding is an important radiation protection technique, intended to reduce unnecessary x-ray exposure of the gonads of patients from diagnostic x-ray procedures. This pamphlet will provide physicians and radiologic technologists with information which will aid their appropriate use of gonad shielding

  14. Radiation production and absorption in human spacecraft shielding systems under high charge and energy Galactic Cosmic Rays: Material medium, shielding depth, and byproduct aspects

    Science.gov (United States)

    Barthel, Joseph; Sarigul-Klijn, Nesrin

    2018-03-01

    Deep space missions such as the planned 2025 mission to asteroids require spacecraft shields to protect electronics and humans from adverse effects caused by the space radiation environment, primarily Galactic Cosmic Rays. This paper first reviews the theory on how these rays of charged particles interact with matter, and then presents a simulation for a 500 day Mars flyby mission using a deterministic based computer code. High density polyethylene and aluminum shielding materials at a solar minimum are considered. Plots of effective dose with varying shield depth, charged particle flux, and dose in silicon and human tissue behind shielding are presented.

  15. Optimization of the National Ignition Facility primary shield design

    International Nuclear Information System (INIS)

    Annese, C.E.; Watkins, E.F.; Greenspan, E.; Miller, W.F.

    1993-10-01

    Minimum cost design concepts of the primary shield for the National Ignition laser fusion experimental Facility (NIF) are searched with the help of the optimization code SWAN. The computational method developed for this search involves incorporating the time dependence of the delayed photon field within effective delayed photon production cross sections. This method enables one to address the time-dependent problem using relatively simple, time-independent transport calculations, thus significantly simplifying the design process. A novel approach was used for the identification of the optimal combination of constituents that will minimize the shield cost; it involves the generation, with SWAN, of effectiveness functions for replacing materials on an equal cost basis. The minimum cost shield design concept was found to consist of a mixture of polyethylene and low cost, low activation materials such as SiC, with boron added near the shield boundaries

  16. The Imperial Shield

    DEFF Research Database (Denmark)

    Mortensen, Simon Valentin

    2006-01-01

      The title of this Ph.d. dissertation is "The Imperial Shield: Imperial Overstretch, Assured Destruction, and the ban on nationwide ABM-defense with particular emphasis on the Johnson and the Nixon Administration". The dissertation set out to explain the origins of the ABM Treaty's central meaning....... Domestic spending continued to increase by more in real terms than the GDP, and the Democratically controlled Congress also made some very expensive modifications in Nixon tax bill in the fall of 1969, once again plunging the budget into the red.The economic crisis was partly caused by, and partly...... the Administration debated the deployment of new ABM-sites in early 1970, Kissinger could not prevail against these forces, but had to settle for a compromise, which he regarded as less than a definite commitment to nationwide ABM-defense.The political developments were of even greater importance. A strong link has...

  17. Shielded Canister Transporter

    International Nuclear Information System (INIS)

    Eidem, G.G. Jr.; Fages, R.

    1993-01-01

    The Hanford Waste Vitrification Plant (HWVP) will produce canisters filled with high-level radioactive waste immobilized in borosilicate glass. This report discusses a Shielded Canister Transporter (SCT) which will provide the means for safe transportation and handling of the canisters from the Vitrification Building to the Canister Storage Building (CSB). The stainless steel canisters are 0.61 meters in diameter, 3.0 meters tall, and weigh approximately 2,135 kilograms, with a maximum exterior surface dose rate of 90,000 R/hr. The canisters are placed into storage tubes to a maximum of three tall (two for overpack canisters) with an impact limiter placed at the tube bottom and between each canister. A floor plug seals the top of the storage tube at the operating floor level of the CSB

  18. ITER shielding blanket

    Energy Technology Data Exchange (ETDEWEB)

    Strebkov, Yu [ENTEK, Moscow (Russian Federation); Avsjannikov, A [ENTEK, Moscow (Russian Federation); Baryshev, M [NIAT, Moscow (Russian Federation); Blinov, Yu [ENTEK, Moscow (Russian Federation); Shatalov, G [KIAE, Moscow (Russian Federation); Vasiliev, N [KIAE, Moscow (Russian Federation); Vinnikov, A [ENTEK, Moscow (Russian Federation); Chernjagin, A [DYNAMICA, Moscow (Russian Federation)

    1995-03-01

    A reference non-breeding blanket is under development now for the ITER Basic Performance Phase for the purpose of high reliability during the first stage of ITER operation. More severe operation modes are expected in this stage with first wall (FW) local heat loads up to 100-300Wcm{sup -2}. Integration of a blanket design with protective and start limiters requires new solutions to achieve high reliability, and possible use of beryllium as a protective material leads to technologies. The rigid shielding blanket concept was developed in Russia to satisfy the above-mentioned requirements. The concept is based on a copper alloy FW, austenitic stainless steel blanket structure, water cooling. Beryllium protection is integrated in the FW design. Fabrication technology and assembly procedure are described in parallel with the equipment used. (orig.).

  19. Welding shield for coupling heaters

    Science.gov (United States)

    Menotti, James Louis

    2010-03-09

    Systems for coupling end portions of two elongated heater portions and methods of using such systems to treat a subsurface formation are described herein. A system may include a holding system configured to hold end portions of the two elongated heater portions so that the end portions are abutted together or located near each other; a shield for enclosing the end portions, and one or more inert gas inlets configured to provide at least one inert gas to flush the system with inert gas during welding of the end portions. The shield may be configured to inhibit oxidation during welding that joins the end portions together. The shield may include a hinged door that, when closed, is configured to at least partially isolate the interior of the shield from the atmosphere. The hinged door, when open, is configured to allow access to the interior of the shield.

  20. Shield calculations, optimization vs. paradigm

    International Nuclear Information System (INIS)

    Cornejo D, N.; Hernandez S, A.; Martinez G, A.

    2006-01-01

    Many shieldings have been designed under the criteria of 'Maximum dose rates of project'. It has created the paradigm of those 'low dose rates', for the one which not few specialists would consider unacceptable levels of dose rate superior to the units of μSv.h -1 , independently of the exposure times. At the present time numerous shieldings are being designed considering dose restrictions in real times of exposure. After these new shieldings, the dose rates could be notably superior to those after traditional shieldings, without it implies inadequate designs or constructive errors. In the work significant differences in levels of dose rates and thickness of shieldings estimated by both methods for some typical facilities. It was concluded that the use of real times of exposure is more adequate for the optimization of the Radiological Protection, although this method demands bigger care in its application. (Author)

  1. Modular reactor head shielding system

    International Nuclear Information System (INIS)

    Jacobson, E. B.

    1985-01-01

    An improved modular reactor head shielding system is provided that includes a frame which is removably assembled on a reactor head such that no structural or mechanical alteration of the head is required. The shielding system also includes hanging assemblies to mount flexible shielding pads on trolleys which can be moved along the frame. The assemblies allow individual pivoting movement of the pads. The pivoting movement along with the movement allowed by the trolleys provides ease of access to any point on the reactor head. The assemblies also facilitate safe and efficient mounting of the pads directly to and from storage containers such that workers have additional shielding throughout virtually the entire installation and removal process. The flexible shielding pads are designed to interleave with one another when assembled around the reactor head for substantially improved containment of radiation leakage

  2. Parameters calculation of shielding experiment

    International Nuclear Information System (INIS)

    Gavazza, S.

    1986-02-01

    The radiation transport methodology comparing the calculated reactions and dose rates for neutrons and gama-rays, with experimental measurements obtained on iron shield, irradiated in the YAYOI reactor is evaluated. The ENDF/B-IV and VITAMIN-C libraries and the AMPX-II modular system, for cross sections generation collapsed by the ANISN code were used. The transport calculations were made using the DOT 3.5 code, adjusting the boundary iron shield source spectrum to the reactions and dose rates, measured at the beginning of shield. The neutron and gamma ray distributions calculated on the iron shield presented reasonable agreement with experimental measurements. An experimental arrangement using the IEA-R1 reactor to determine a shielding benchmark is proposed. (Author) [pt

  3. Design experience: CRBRP radiation shielding

    International Nuclear Information System (INIS)

    Disney, R.K.; Chan, T.C.; Gallo, F.G.; Hedgecock, L.R.; McGinnis, C.A.; Wrights, G.N.

    1978-11-01

    The Clinch River Breeder Reactor Plant (CRBRP) is being designed as a fast breeder demonstration project in the U.S. Liquid Metal Fast Breeder Reactor (LMFBR) program. Radiation shielding design of the facility consists of a comprehensive design approach to assure compliance with design and government regulatory requirements. Studies conducted during the CRBRP design process involved the aspects of radiation shielding dealing with protection of components, systems, and personnel from radiation exposure. Achievement of feasible designs, while considering the mechanical, structural, nuclear, and thermal performance of the component or system, has required judicious trade-offs in radiation shielding performance. Specific design problems which have been addressed are in-vessel radial shielding to protect permanent core support structures, flux monitor system shielding to isolate flux monitoring systems for extraneous background sources, reactor vessel support shielding to allow personnel access to the closure head during full power operation, and primary heat transport system pipe chaseway shielding to limit intermediate heat transport system sodium system coolant activation. The shielding design solutions to these problems defined a need for prototypic or benchmark experiments to provide assurance of the predicted shielding performance of selected design solutions and the verification of design methodology. Design activities of CRBRP plant components an systems, which have the potential for radiation exposure of plant personnel during operation or maintenance, are controlled by a design review process related to radiation shielding. The program implements design objectives, design requirements, and cost/benefit guidelines to assure that radiation exposures will be ''as low as reasonably achievable''

  4. Experimental and theoretical NMR study of 4-(1-pyrrolidinyl)piperidine

    African Journals Online (AJOL)

    Solvent effects on nuclear magnetic shielding tensors have been investigated using chloroform-d, methanol-d, acetone-d, dimethylsulfoxide-d and water-d. The magnitude of nJ(C,H) (n = 1, 2, 3) coupling constants of 4-pypp have been determined with selective 1H decoupled 13C NMR techniques. 1H, 13C, 15N NMR ...

  5. Configurations and conformations in acyclic, unsaturated hydrocarbons. A 13C NMR study

    NARCIS (Netherlands)

    Haan, de J.W.; Ven, van de L.J.M.

    1973-01-01

    13C NMR (CMR) spectra of a number of di- and trisubstituted ethylenes have been measured. Very consistent values are found for the differential shieldings of allylic carbons in a number of linear, (Z)- and (E)-disubstituted ethylenes. The discrepancies between the several structural elements are

  6. Some double resonance and multiple quantum NMR studies in solids

    Energy Technology Data Exchange (ETDEWEB)

    Wemmer, D.E.

    1978-08-01

    The first section of this work presents the theory and experimental applications to analysis of molecular motion of chemical shielding lineshapes obtained with high resolution double resonance NMR techniques. Analysis of /sup 13/C powder lineshapes in hexamethylbenzene (HMB) and decamethylferrocene (DMFe) show that these molecules reorient in a jumping manner about the symmetry axis. Analysis of proton chemical shielding lineshapes of residual protons in heavy ice (D/sub 2/O) show that protons are exchanged among the tetrahedral positions of neighboring oxygen atoms, consistent with motion expected from defect migration. The second section describes the application of Fourier Transform Double Quantum NMR to measurement of chemical shielding of deuterium in powder samples. Studies of partially deuterated benzene and ferrocene give equal shielding anisotropies, ..delta..sigma = -6.5 ppM. Theoretical predictions and experimental measurements of dipolar couplings between deuterons using FTDQ NMR are presented. Crystals of BaClO/sub 3/.D/sub 2/O, ..cap alpha..,..beta.. d-2 HMB and ..cap alpha..,..beta..,..gamma.. d-3 HMB were studied, as were powders of d-2 HMB and anisic acid. The third section discusses general multiple quantum spectroscopy in dipolar coupled spin systems. Theoretical description is made for creation and detection of coherences between states without quantum number selection rules ..delta..m = +-1. Descriptions of techniques for partial selectivity of order in preparation and detection of multiple quantum coherences are made. The effects on selectivity and resolution of echo pulses during multiple quantum experiments are discussed. Experimental observation of coherences up to order 6 have been made in a sample of benzene dissolved in a liquid crystal. Experimental verifications of order selection and echo generation have been made.

  7. Some double resonance and multiple quantum NMR studies in solids

    International Nuclear Information System (INIS)

    Wemmer, D.E.

    1978-08-01

    The first section of this work presents the theory and experimental applications to analysis of molecular motion of chemical shielding lineshapes obtained with high resolution double resonance NMR techniques. Analysis of 13 C powder lineshapes in hexamethylbenzene (HMB) and decamethylferrocene (DMFe) show that these molecules reorient in a jumping manner about the symmetry axis. Analysis of proton chemical shielding lineshapes of residual protons in heavy ice (D 2 O) show that protons are exchanged among the tetrahedral positions of neighboring oxygen atoms, consistent with motion expected from defect migration. The second section describes the application of Fourier Transform Double Quantum NMR to measurement of chemical shielding of deuterium in powder samples. Studies of partially deuterated benzene and ferrocene give equal shielding anisotropies, Δsigma = -6.5 ppM. Theoretical predictions and experimental measurements of dipolar couplings between deuterons using FTDQ NMR are presented. Crystals of BaClO 3 .D 2 O, α,β d-2 HMB and α,β,γ d-3 HMB were studied, as were powders of d-2 HMB and anisic acid. The third section discusses general multiple quantum spectroscopy in dipolar coupled spin systems. Theoretical description is made for creation and detection of coherences between states without quantum number selection rules Δm = +-1. Descriptions of techniques for partial selectivity of order in preparation and detection of multiple quantum coherences are made. The effects on selectivity and resolution of echo pulses during multiple quantum experiments are discussed. Experimental observation of coherences up to order 6 have been made in a sample of benzene dissolved in a liquid crystal. Experimental verifications of order selection and echo generation have been made

  8. First NMR Experiments in the Hybrid, 40T and beyond: A challenge to traditional NMR instrumentation

    Science.gov (United States)

    Reyes, Arneil P.

    2001-03-01

    The recent commissioning of the continuous 45T hybrid magnet at NHMFL has opened new horizon for science but carried with it new challenges that forced NMR spectroscopists to reevaluate the traditional approach to NMR instrumentation. Very recently, a world record frequency at 1.5GHz has been achieved, signaling the new era of NMR probe designs that may someday blur the distinction between the classic NMR and millimeter-wave spectroscopies. No longer can we ignore stray capacitances and exposed leads in the terrain where every millimeter of cable counts. The challenge brought about by ever increasing fields and consequently, frequency, requirements has stimulated ingenuity among scientists. This is eased by accelerated growth in RF communications and computing technologies that made available advanced devices with more speed, power, bandwidth, noise immunity, flexibility, and complexity in small space at very low costs. Utilization of these devices have been paramount consideration in cutting-edge designs at NHMFL for Condensed Matter NMR and will be described in this talk. I will also discuss a number of first >33T NMR experiments to date utilizing the strength of the field to expose, as well as to induce occurrence of, new physical phenomena in condensed matter and which resulted in better understanding of the physics of materials. This work has been a result of continuing collaboration with P. L Kuhns, W. G. Moulton, W. P. Halperin (NU), and W. G. Clark (UCLA). The NHMFL is supported through the National Science Foundation and the State of Florida.

  9. Particle Tracing Modeling with SHIELDS

    Science.gov (United States)

    Woodroffe, J. R.; Brito, T. V.; Jordanova, V. K.

    2017-12-01

    The near-Earth inner magnetosphere, where most of the nation's civilian and military space assets operate, is an extremely hazardous region of the space environment which poses major risks to our space infrastructure. Failure of satellite subsystems or even total failure of a spacecraft can arise for a variety of reasons, some of which are related to the space environment: space weather events like single-event-upsets and deep dielectric charging caused by high energy particles, or surface charging caused by low to medium energy particles; other space hazards are collisions with natural or man-made space debris, or intentional hostile acts. A recently funded project through the Los Alamos National Laboratory (LANL) Directed Research and Development (LDRD) program aims at developing a new capability to understand, model, and predict Space Hazards Induced near Earth by Large Dynamic Storms, the SHIELDS framework. The project goals are to understand the dynamics of the surface charging environment (SCE), the hot (keV) electrons on both macro- and microscale. These challenging problems are addressed using a team of world-class experts and state-of-the-art physics-based models and computational facilities. We present first results of a coupled BATS-R-US/RAM-SCB/Particle Tracing Model to evaluate particle fluxes in the inner magnetosphere. We demonstrate that this setup is capable of capturing the earthward particle acceleration process resulting from dipolarization events in the tail region of the magnetosphere.

  10. Transparent fast neutron shielding material and shielding method

    International Nuclear Information System (INIS)

    Nashimoto, Tetsuji; Katase, Haruhisa.

    1993-01-01

    Polyisobutylene having a viscosity average molecular weight of 20,000 to 80,000 and a hydrogen atom density of greater than 7.0 x 10 22 /cm 3 is used as a fast neutron shielding material. The shielding material is excellent in the shielding performance against fast neutrons, and there is no worry of leakage even when holes should be formed to a vessel. Further, it is excellent in fabricability, relatively safe even upon occurrence of fire and, in addition, it is transparent to enable to observe contents easily. (T.M.)

  11. Shielding calculation techniques used in the design of storage systems

    International Nuclear Information System (INIS)

    Wang, S.S.; Massey, J.V.

    1986-01-01

    The shielding design and analysis of a concrete modular spent fuel storage system are discussed. Particular attention is given to comparing various computation techniques in determining bulk shielding thickness, and also in dealing with the radiation streaming effect through the air exist penetration openings in the module. Three computer codes QADMOD, ANISN, and DOT-IV were used to solve the same problem. In addition, hand albedo calculation were done to augment the result of the QADMOD calculation to properly deal with the surface scattering

  12. Shielding for a tandem accelerator coupled to linac booster

    International Nuclear Information System (INIS)

    Bhattacharyya, S.; Bisht, J.S.; Venkataraman, G.

    1996-01-01

    Shielding calculation for the Beam-Hall-II of pelletron facility, augmented with linac booster in its phase-II at Nuclear Science Centre, New Delhi, has been done. An estimate is obtained by reduction factor method considering source radiation of monoenergetic neutrons, which is then compared with the detail computation using computer code ALICE considering total energy and angular distribution of neutrons. Another code ASFIT is used to take into account the build up of gamma dose from (n, gamma) reactions within the concrete shield incorporating new radiation weighting factors as recommended by ICRP-60. (author). 8 refs., 2 figs

  13. Fourier transform NMR

    International Nuclear Information System (INIS)

    Hallenga, K.

    1991-01-01

    This paper discusses the concept of Fourier transformation one of the many precious legacies of the French mathematician Jean Baptiste Joseph Fourier, essential for understanding the link between continuous-wave (CW) and Fourier transform (FT) NMR. Although in modern FT NMR the methods used to obtain a frequency spectrum from the time-domain signal may vary greatly, from the efficient Cooley-Tukey algorithm to very elaborate iterative least-square methods based other maximum entropy method or on linear prediction, the principles for Fourier transformation are unchanged and give invaluable insight into the interconnection of many pairs of physical entities called Fourier pairs

  14. NMR blood vessel imaging method and apparatus

    International Nuclear Information System (INIS)

    Riederer, S.J.

    1988-01-01

    A high speed method of forming computed images of blood vessels based on measurements of characteristics of a body is described comprising the steps of: subjecting a predetermined body area containing blood vessels of interest to, successively, applications of a short repetition time (TR) NMR pulse sequence during the period of high blood velocity and then to corresponding applications during the period of low blood velocity for successive heart beat cycles; weighting the collected imaging data from each application of the NMR pulse sequence according to whether the data was acquired during the period of high blood velocity or a period of low blood velocity of the corresponding heart beat cycle; accumulating weighted imaging data from a plurality of NMR pulse sequences corresponding to high blood velocity periods and from a plurality of NMR pulse sequences corresponding to low blood velocity periods; subtracting the weighted imaging data corresponding to each specific phase encoding acquired during the high blood velocity periods from the weighted imaging data for the same phase encoding corresponding to low blood velocity periods in order to compute blood vessel imaging data; and forming an image of the blood vessels of interest from the blood vessel imaging data

  15. What can NMR spectroscopy of selenoureas and phosphinidenes teach us about the π-accepting abilities of N-heterocyclic carbenes?

    KAUST Repository

    Vummaleti, Sai V. C.

    2015-01-02

    The electronic nature of the interaction of NHCs with metal centres is of interest when exploring their properties, how these properties influence those of metal complexes, and how these properties might depend on ligand structure. Selenourea and phosphinidene complexes have been proposed to allow the measurement of the π-accepting ability of NHCs, independent of their σ-donating ability, via the collection of 77Se or 31P NMR spectra, respectively. Herein, the synthesis and characterisation of selenoureas derived from a range of imidazol-2-ylidenes, 4,5-dihydroimidazol-2-ylidenes and triazol-2-ylidenes are documented. Computational studies are used to explore the link between the shielding of the selenium centre and the electronic properties of the NHCs. Results show that δSe is correlated to the energy gap between a filled lone pair orbital on Se and the empty π* orbital corresponding to the Se–NHC bond. Bond energy decomposition analysis indicated no correlation between the orbital σ-contribution to bonding and the chemical shielding, while a good correlation was found between the π-contribution to bonding and the chemical shielding, confirming that this technique is indeed able to quantify the ability of NHCs to accept π-electron density. Calculations conducted on phosphinidene adducts yielded similar results. With the link between δSe and δP and π-back bonding ability clearly established, these compounds represent useful ways in which to fully understand and quantify this aspect of the electronic properties of NHCs.

  16. What can NMR spectroscopy of selenoureas and phosphinidenes teach us about the π-accepting abilities of N-heterocyclic carbenes?

    KAUST Repository

    Vummaleti, Sai V. C.; Nelson, David J.; Poater, Albert; Gó mez-Suá rez, Adriá n; Cordes, David B.; Slawin, Alexandra M. Z.; Nolan, Steven P.; Cavallo, Luigi

    2015-01-01

    The electronic nature of the interaction of NHCs with metal centres is of interest when exploring their properties, how these properties influence those of metal complexes, and how these properties might depend on ligand structure. Selenourea and phosphinidene complexes have been proposed to allow the measurement of the π-accepting ability of NHCs, independent of their σ-donating ability, via the collection of 77Se or 31P NMR spectra, respectively. Herein, the synthesis and characterisation of selenoureas derived from a range of imidazol-2-ylidenes, 4,5-dihydroimidazol-2-ylidenes and triazol-2-ylidenes are documented. Computational studies are used to explore the link between the shielding of the selenium centre and the electronic properties of the NHCs. Results show that δSe is correlated to the energy gap between a filled lone pair orbital on Se and the empty π* orbital corresponding to the Se–NHC bond. Bond energy decomposition analysis indicated no correlation between the orbital σ-contribution to bonding and the chemical shielding, while a good correlation was found between the π-contribution to bonding and the chemical shielding, confirming that this technique is indeed able to quantify the ability of NHCs to accept π-electron density. Calculations conducted on phosphinidene adducts yielded similar results. With the link between δSe and δP and π-back bonding ability clearly established, these compounds represent useful ways in which to fully understand and quantify this aspect of the electronic properties of NHCs.

  17. Radiation shielding for fusion reactors

    International Nuclear Information System (INIS)

    Santoro, R.T.

    2000-01-01

    Radiation shielding requirements for fusion reactors present different problems than those for fission reactors and accelerators. Fusion devices, particularly tokamak reactors, are complicated by geometry constraints that complicate disposition of fully effective shielding. This paper reviews some of these shielding issues and suggested solutions for optimizing the machine and biological shielding. Radiation transport calculations are essential for predicting and confirming the nuclear performance of the reactor and, as such, must be an essential part of the reactor design process. Development and optimization of reactor components from the first wall and primary shielding to the penetrations and containment shielding must be carried out in a sensible progression. Initial results from one-dimensional transport calculations are used for scoping studies and are followed by detailed two- and three-dimensional analyses to effectively characterize the overall radiation environment. These detail model calculations are essential for accounting for the radiation leakage through ports and other penetrations in the bulk shield. Careful analysis of component activation and radiation damage is cardinal for defining remote handling requirements, in-situ replacement of components, and personnel access at specific locations inside the reactor containment vessel. (author)

  18. Morphometry of terrestrial shield volcanoes

    Science.gov (United States)

    Grosse, Pablo; Kervyn, Matthieu

    2018-03-01

    Shield volcanoes are described as low-angle edifices built primarily by the accumulation of successive lava flows. This generic view of shield volcano morphology is based on a limited number of monogenetic shields from Iceland and Mexico, and a small set of large oceanic islands (Hawaii, Galápagos). Here, the morphometry of 158 monogenetic and polygenetic shield volcanoes is analyzed quantitatively from 90-meter resolution SRTM DEMs using the MORVOLC algorithm. An additional set of 24 lava-dominated 'shield-like' volcanoes, considered so far as stratovolcanoes, are documented for comparison. Results show that there is a large variation in shield size (volumes from 0.1 to > 1000 km3), profile shape (height/basal width (H/WB) ratios mostly from 0.01 to 0.1), flank slope gradients (average slopes mostly from 1° to 15°), elongation and summit truncation. Although there is no clear-cut morphometric difference between shield volcanoes and stratovolcanoes, an approximate threshold can be drawn at 12° average slope and 0.10 H/WB ratio. Principal component analysis of the obtained database enables to identify four key morphometric descriptors: size, steepness, plan shape and truncation. Hierarchical cluster analysis of these descriptors results in 12 end-member shield types, with intermediate cases defining a continuum of morphologies. The shield types can be linked in terms of growth stages and shape evolution, related to (1) magma composition and rheology, effusion rate and lava/pyroclast ratio, which will condition edifice steepness; (2) spatial distribution of vents, in turn related to the magmatic feeding system and the tectonic framework, which will control edifice plan shape; and (3) caldera formation, which will condition edifice truncation.

  19. International symposium on NMR spectroscopy

    International Nuclear Information System (INIS)

    The publication consists of 32 papers and presentations from the field of NMR spectroscopy applications submitted to the International Symposium on NMR Spectroscopy held at Smolenice between 29 Sep and 3 Oct, 1980. (B.S.)

  20. A study of gamma shielding

    International Nuclear Information System (INIS)

    Roogtanakait, N.

    1981-01-01

    Gamma rays have high penetration power and its attenuation depends upon the thickness and the attenuation coefficient of the shield, so it is necessary to use the high density shield to attenuate the gamma rays. Heavy concrete is considered to be used for high radiation laboratory and the testing of the shielding ability and compressibility of various types of heavy concrete composed of baryte, hematite, ilmenite and galena is carried out. The results of this study show that baryte-ilmenite concrete is the most suitable for high radiation laboratory in Thailand

  1. Radiation protection/shield design

    International Nuclear Information System (INIS)

    Disney, R.K.

    1977-01-01

    Radiation protection/shielding design of a nuclear facility requires a coordinated effort of many engineering disciplines to meet the requirements imposed by regulations. In the following discussion, the system approach to Clinch River Breeder Reactor Plant (CRBRP) radiation protection will be described, and the program developed to implement this approach will be defined. In addition, the principal shielding design problems of LMFBR nuclear reactor systems will be discussed in realtion to LWR nuclear reactor system shielding designs. The methodology used to analyze these problems in the U.S. LMFBR program, the resultant design solutions, and the experimental verification of these designs and/or methods will be discussed. (orig.) [de

  2. Shielding synchrotron light sources: Advantages of circular shield walls tunnels

    Energy Technology Data Exchange (ETDEWEB)

    Kramer, S.L. [Design and Accelerator Operations Consulting, 568 Wintergreen Ct Ridge, NY 11961 (United States); Ghosh, V.J.; Breitfeller, M. [NSLS-II, Brookhaven National Laboratory, Upton, NY 11973 (United States)

    2016-08-11

    Third generation high brightness light sources are designed to have low emittance and high current beams, which contribute to higher beam loss rates that will be compensated by Top-Off injection. Shielding for these higher loss rates will be critical to protect the projected higher occupancy factors for the users. Top-Off injection requires a full energy injector, which will demand greater consideration of the potential abnormal beam miss-steering and localized losses that could occur. The high energy electron injection beam produce significantly higher neutron component dose to the experimental floor than lower energy injection and ramped operations. High energy neutrons produced in the forward direction from thin target beam losses are a major component of the dose rate outside the shield walls of the tunnel. The convention has been to provide thicker 90° ratchet walls to reduce this dose to the beam line users. We present an alternate circular shield wall design, which naturally and cost effectively increases the path length for this forward radiation in the shield wall and thereby substantially decreasing the dose rate for these beam losses. This shield wall design will greatly reduce the dose rate to the users working near the front end optical components but will challenge the beam line designers to effectively utilize the longer length of beam line penetration in the shield wall. Additional advantages of the circular shield wall tunnel are that it's simpler to construct, allows greater access to the insertion devices and the upstream in tunnel beam line components, as well as reducing the volume of concrete and therefore the cost of the shield wall.

  3. Single-sided NMR

    CERN Document Server

    Casanova, Federico; Blümich, Bernhard

    2011-01-01

    Single-Sided NMR describes the design of the first functioning single-sided tomograph, the related measurement methods, and a number of applications. One of the key advantages to this method is the speed at which the images are obtained.

  4. Autonomous driving in NMR.

    Science.gov (United States)

    Perez, Manuel

    2017-01-01

    The automatic analysis of NMR data has been a much-desired endeavour for the last six decades, as it is the case with any other analytical technique. This need for automation has only grown as advances in hardware; pulse sequences and automation have opened new research areas to NMR and increased the throughput of data. Full automatic analysis is a worthy, albeit hard, challenge, but in a world of artificial intelligence, instant communication and big data, it seems that this particular fight is happening with only one technique at a time (let this be NMR, MS, IR, UV or any other), when the reality of most laboratories is that there are several types of analytical instrumentation present. Data aggregation, verification and elucidation by using complementary techniques (e.g. MS and NMR) is a desirable outcome to pursue, although a time-consuming one if performed manually; hence, the use of automation to perform the heavy lifting for users is required to make the approach attractive for scientists. Many of the decisions and workflows that could be implemented under automation will depend on the two-way communication with databases that understand analytical data, because it is desirable not only to query these databases but also to grow them in as much of an automatic manner as possible. How these databases are designed, set up and the data inside classified will determine what workflows can be implemented. Copyright © 2016 John Wiley & Sons, Ltd. Copyright © 2016 John Wiley & Sons, Ltd.

  5. Survivor shielding. Part C. Improvements in terrain shielding

    International Nuclear Information System (INIS)

    Egbert, Stephen D.; Kaul, Dean C.; Roberts, James A.; Kerr, George D.

    2005-01-01

    A number of atomic-bomb survivors were affected by shielding provided by terrain features. These terrain features can be a small hill, affecting one or two houses, or a high mountain that shields large neighborhoods. In the survivor dosimetry system, terrain shielding can be described by a transmission factor (TF), which is the ratio between the dose with and without the terrain present. The terrain TF typically ranges between 0.1 and 1.0. After DS86 was implemented at RERF, the terrain shielding categories were examined and found to either have a bias or an excessive uncertainty that could readily be removed. In 1989, an improvement in the terrain model was implemented at RERF in the revised DS86 code, but the documentation was not published. It is now presented in this section. The solution to the terrain shielding in front of a house is described in this section. The problem of terrain shielding of survivors behind Hijiyama mountain at Hiroshima and Konpirasan mountain at Nagasaki has also been recognized, and a solution to this problem has been included in DS02. (author)

  6. Radiation shielding member

    International Nuclear Information System (INIS)

    Nemezawa, Isao; Kimura, Tadahiro; Mizuochi, Akira; Omori, Tetsu

    1998-01-01

    A single body of a radiation shield comprises a bag prepared by welding or bonding a polyurethane sheet which is made flat while interposing metal plates at the upper and the lower portion of the bag. Eyelet fittings are disposed to the upper and the lower portions of the bag passing through the metal plates and the flat portion of the bag. Water supplying/draining ports are disposed to two upper and lower places of the bag at a height where the metal plates are disposed. Reinforcing walls welded or bonded to the inner wall surface of the bag are elongated in vertical direction to divide the inside of the bag to a plurality of cells. The bag is suspended and supported from a frame with S-shaped hooks inserted into the eyelet fittings as connecting means. A plurality of bags are suspended and supported from the frame at a required height by way of the eyelets at the lower portion of the suspended and supported bag and the eyelet fittings at the upper portion of the bag below the intermediate connection means. (I.N.)

  7. Self-shielding factors

    International Nuclear Information System (INIS)

    Kaul, D.C.

    1982-01-01

    Throughout the last two decades many efforts have been made to estimate the effect of body self-shielding on organ doses from externally incident neutrons and gamma rays. These began with the use of simple geometry phantoms and have culminated in the use of detailed anthropomorphic phantoms. In a recent effort, adjoint Monte Carlo analysis techniques have been used to determine dose and dose equivalent to the active marrow as a function of energy and angle of neutron fluence externally incident on an anthropomorphic phantom. When combined with fluences from actual nuclear devices, these dose-to-fluence factors result in marrow dose values that demonstrate great sensitivity to variations in device type, range, and body orientation. Under a state-of-the-art radiation transport analysis demonstration program for the Japanese cities, sponsored by the Defense Nuclear Agency at the request of the National Council on Radiation Protection and Measurements, the marrow dose study referred to above is being repeated to obtain spectral distributions within the marrow for externally incident neutrons and gamma rays of arbitrary energy and angle. This is intended to allow radiobiologists and epidemiologists to select and to modify numbers of merit for correlation with health effects and to permit a greater understanding of the relationship between human and laboratory subject dosimetry

  8. Shielding plug device

    International Nuclear Information System (INIS)

    Orii, Shoichi; Hasegawa, Satoshi; Makishima, Kenji.

    1976-01-01

    Object: To reduce the size of and extend the life of a revolving bearing and facilitate the laying of driving cables and duct lines, this being accomplished by providing plug raising means of a fast breeder on a stationary plug mounting base so as to prevent the shearing force of sodium from acting upon the revolving bearing. Structure: The shield plug means comprises a stationary plug secured to the open end of the reactor container, a rotary plug rotatable with respect to the stationary plug, an annular base formed on top of the stationary plug so as to cover the rotary plug, a bearing secured to the rotary plug edge lower face and upper and lower locking plates. At the time of the rotation of the rotary plug, the upper locking plate is withdrawn, the stationary plug is raised to release the seal structure, and the lower locking plate is inserted between the bearing and stationary plug. In this way, smooth rotation of the rotary plug can be obtained. (Horiuchi, T.)

  9. Contact replacement for NMR resonance assignment.

    Science.gov (United States)

    Xiong, Fei; Pandurangan, Gopal; Bailey-Kellogg, Chris

    2008-07-01

    Complementing its traditional role in structural studies of proteins, nuclear magnetic resonance (NMR) spectroscopy is playing an increasingly important role in functional studies. NMR dynamics experiments characterize motions involved in target recognition, ligand binding, etc., while NMR chemical shift perturbation experiments identify and localize protein-protein and protein-ligand interactions. The key bottleneck in these studies is to determine the backbone resonance assignment, which allows spectral peaks to be mapped to specific atoms. This article develops a novel approach to address that bottleneck, exploiting an available X-ray structure or homology model to assign the entire backbone from a set of relatively fast and cheap NMR experiments. We formulate contact replacement for resonance assignment as the problem of computing correspondences between a contact graph representing the structure and an NMR graph representing the data; the NMR graph is a significantly corrupted, ambiguous version of the contact graph. We first show that by combining connectivity and amino acid type information, and exploiting the random structure of the noise, one can provably determine unique correspondences in polynomial time with high probability, even in the presence of significant noise (a constant number of noisy edges per vertex). We then detail an efficient randomized algorithm and show that, over a variety of experimental and synthetic datasets, it is robust to typical levels of structural variation (1-2 AA), noise (250-600%) and missings (10-40%). Our algorithm achieves very good overall assignment accuracy, above 80% in alpha-helices, 70% in beta-sheets and 60% in loop regions. Our contact replacement algorithm is implemented in platform-independent Python code. The software can be freely obtained for academic use by request from the authors.

  10. NMR for chemists and biologists

    CERN Document Server

    Carbajo, Rodrigo J

    2013-01-01

    This book offers a concise introduction to the field of nuclear magnetic resonance or NMR. It presents the basic foundations of NMR in a non-mathematical way and provides an overview of both recent and important biological applications of NMR.

  11. Radiation shielding techniques and applications. 3. Analysis of Photon Streaming Through and Around Shield Doors

    International Nuclear Information System (INIS)

    Barnett, Marvin; Hack, Joe; Nathan, Steve; White, Travis

    2001-01-01

    Westinghouse Safety Management Solutions (Westinghouse SMS) has been tasked with providing radiological engineering design support for the new Commercial Light Water Reactor Tritium Extraction Facility (CLWR-TEF) being constructed at the Savannah River Site (SRS). The Remote Handling Building (RHB) of the CLWR-TEF will act as the receiving facility for irradiated targets used in the production of tritium for the U.S. Department of Energy (DOE). Because of the high dose rates, approaching 50 000 rads/h (500 Gy/h) from the irradiated target bundles, significant attention has been made to shielding structures within the facility. One aspect of the design that has undergone intense review is the shield doors. The RHB has six shield doors that needed to be studied with respect to photon streaming. Several aspects had to be examined to ensure that the design meets the radiation dose levels. Both the thickness and streaming issues around the door edges were designed and examined. Photon streaming through and around a shield door is a complicated problem, creating a reliance on computer modeling to perform the analyses. The computer code typically used by the Westinghouse SMS in the evaluation of photon transport through complex geometries is the MCNP Monte Carlo computer code. The complexity of the geometry within the problem can cause problems even with the Monte Carlo codes. Striking a balance between how the code handles transport through the shield door with transport through the streaming paths, particularly with the use of typical variance reduction methods, is difficult when trying to ensure that all important regions of the model are sampled appropriately. The thickness determination used a simple variance reduction technique. In construction, the shield door will not be flush against the wall, so a solid rectangular slab leaves streaming paths around the edges. Administrative controls could be used to control dose to workers; however, 10 CFR 835.1001 states

  12. Rapid prediction of multi-dimensional NMR data sets

    International Nuclear Information System (INIS)

    Gradmann, Sabine; Ader, Christian; Heinrich, Ines; Nand, Deepak; Dittmann, Marc; Cukkemane, Abhishek; Dijk, Marc van; Bonvin, Alexandre M. J. J.; Engelhard, Martin; Baldus, Marc

    2012-01-01

    We present a computational environment for Fast Analysis of multidimensional NMR DAta Sets (FANDAS) that allows assembling multidimensional data sets from a variety of input parameters and facilitates comparing and modifying such “in silico” data sets during the various stages of the NMR data analysis. The input parameters can vary from (partial) NMR assignments directly obtained from experiments to values retrieved from in silico prediction programs. The resulting predicted data sets enable a rapid evaluation of sample labeling in light of spectral resolution and structural content, using standard NMR software such as Sparky. In addition, direct comparison to experimental data sets can be used to validate NMR assignments, distinguish different molecular components, refine structural models or other parameters derived from NMR data. The method is demonstrated in the context of solid-state NMR data obtained for the cyclic nucleotide binding domain of a bacterial cyclic nucleotide-gated channel and on membrane-embedded sensory rhodopsin II. FANDAS is freely available as web portal under WeNMR (http://www.wenmr.eu/services/FANDAShttp://www.wenmr.eu/services/FANDAS).

  13. Two-dimensional NMR spectroscopy. Applications for chemists and biochemists

    International Nuclear Information System (INIS)

    Croasmun, W.R.; Carlson, R.M.K.

    1987-01-01

    Two-dimensional nuclear magnetic resonance spectroscopy (2-D NMR) has become a very powerful class of experiments (in the hands of an adept scientist) with broad adaptability to new situations. It is the product of a happy marriage between modern pulse FT-NMR technology, with its large memory and high-speed computers, and the physicists and chemists who love to manipulate spin systems. Basic 2-D experiments are now a standard capability of modern NMR spectrometers, and this timely book intends to make 2-D NMR users of those who are familiar with normal 1-D NMR. The 2-D NMR goal is correlation of the lines of the observed NMR spectrum with other properties of the system. This book deals with applications to high-resolution spectrum analysis, utilizing either coupling between the NMR-active nuclei or chemical exchange to perform the correlation. The coupling can be scalar (through bonds) or direct through space (within 5 A). The coupling may be homonuclear (between like nuclei) or heteronuclear

  14. Rapid prediction of multi-dimensional NMR data sets

    Energy Technology Data Exchange (ETDEWEB)

    Gradmann, Sabine; Ader, Christian [Utrecht University, Faculty of Science, Bijvoet Center for Biomolecular Research (Netherlands); Heinrich, Ines [Max Planck Institute for Molecular Physiology, Department of Physical Biochemistry (Germany); Nand, Deepak [Utrecht University, Faculty of Science, Bijvoet Center for Biomolecular Research (Netherlands); Dittmann, Marc [Max Planck Institute for Molecular Physiology, Department of Physical Biochemistry (Germany); Cukkemane, Abhishek; Dijk, Marc van; Bonvin, Alexandre M. J. J. [Utrecht University, Faculty of Science, Bijvoet Center for Biomolecular Research (Netherlands); Engelhard, Martin [Max Planck Institute for Molecular Physiology, Department of Physical Biochemistry (Germany); Baldus, Marc, E-mail: m.baldus@uu.nl [Utrecht University, Faculty of Science, Bijvoet Center for Biomolecular Research (Netherlands)

    2012-12-15

    We present a computational environment for Fast Analysis of multidimensional NMR DAta Sets (FANDAS) that allows assembling multidimensional data sets from a variety of input parameters and facilitates comparing and modifying such 'in silico' data sets during the various stages of the NMR data analysis. The input parameters can vary from (partial) NMR assignments directly obtained from experiments to values retrieved from in silico prediction programs. The resulting predicted data sets enable a rapid evaluation of sample labeling in light of spectral resolution and structural content, using standard NMR software such as Sparky. In addition, direct comparison to experimental data sets can be used to validate NMR assignments, distinguish different molecular components, refine structural models or other parameters derived from NMR data. The method is demonstrated in the context of solid-state NMR data obtained for the cyclic nucleotide binding domain of a bacterial cyclic nucleotide-gated channel and on membrane-embedded sensory rhodopsin II. FANDAS is freely available as web portal under WeNMR (http://www.wenmr.eu/services/FANDAShttp://www.wenmr.eu/services/FANDAS).

  15. Comparison of deterministic and Monte Carlo methods in shielding design.

    Science.gov (United States)

    Oliveira, A D; Oliveira, C

    2005-01-01

    In shielding calculation, deterministic methods have some advantages and also some disadvantages relative to other kind of codes, such as Monte Carlo. The main advantage is the short computer time needed to find solutions while the disadvantages are related to the often-used build-up factor that is extrapolated from high to low energies or with unknown geometrical conditions, which can lead to significant errors in shielding results. The aim of this work is to investigate how good are some deterministic methods to calculating low-energy shielding, using attenuation coefficients and build-up factor corrections. Commercial software MicroShield 5.05 has been used as the deterministic code while MCNP has been used as the Monte Carlo code. Point and cylindrical sources with slab shield have been defined allowing comparison between the capability of both Monte Carlo and deterministic methods in a day-by-day shielding calculation using sensitivity analysis of significant parameters, such as energy and geometrical conditions.

  16. Comparison of deterministic and Monte Carlo methods in shielding design

    International Nuclear Information System (INIS)

    Oliveira, A. D.; Oliveira, C.

    2005-01-01

    In shielding calculation, deterministic methods have some advantages and also some disadvantages relative to other kind of codes, such as Monte Carlo. The main advantage is the short computer time needed to find solutions while the disadvantages are related to the often-used build-up factor that is extrapolated from high to low energies or with unknown geometrical conditions, which can lead to significant errors in shielding results. The aim of this work is to investigate how good are some deterministic methods to calculating low-energy shielding, using attenuation coefficients and build-up factor corrections. Commercial software MicroShield 5.05 has been used as the deterministic code while MCNP has been used as the Monte Carlo code. Point and cylindrical sources with slab shield have been defined allowing comparison between the capability of both Monte Carlo and deterministic methods in a day-by-day shielding calculation using sensitivity analysis of significant parameters, such as energy and geometrical conditions. (authors)

  17. ASOP, Shield Calculation, 1-D, Discrete Ordinates Transport

    International Nuclear Information System (INIS)

    1993-01-01

    1 - Nature of physical problem solved: ASOP is a shield optimization calculational system based on the one-dimensional discrete ordinates transport program ANISN. It has been used to design optimum shields for space applications of SNAP zirconium-hydride-uranium- fueled reactors and uranium-oxide fueled thermionic reactors and to design beam stops for the ORELA facility. 2 - Method of solution: ASOP generates coefficients of linear equations describing the logarithm of the dose and dose-weight derivatives as functions of position from data obtained in an automated sequence of ANISN calculations. With the dose constrained to a design value and all dose-weight derivatives required to be equal, the linear equations may be solved for a new set of shield dimensions. Since changes in the shield dimensions may cause the linear functions to change, the entire procedure is repeated until convergence is obtained. The detailed calculations of the radiation transport through shield configurations for every step in the procedure distinguish ASOP from other shield optimization computer code systems which rely on multiple component sources and attenuation coefficients to describe the transport. 3 - Restrictions on the complexity of the problem: Problem size is limited only by machine size

  18. SNF shipping cask shielding analysis

    International Nuclear Information System (INIS)

    Johnson, J.O.; Pace, J.V. III.

    1996-01-01

    The Waste Management and Remedial Action Division has planned a modification sequence for storage facility 7827 in the Solid Waste Storage Area (SWSA). The modification cycle is: (1) modify an empty caisson, (2) transfer the spent nuclear fuel (SNF) of an occupied caisson to a hot cell in building 3525 for inspection and possible repackaging, and (3) return the package to the modified caisson in the SWSA. Although the SNF to be moved is in the solid form, it has different levels of activity. Thus, the following 5 shipping casks will be available for the task: the Loop Transport Carrier, the In- Pile Loop LITR HB-2 Carrier, the 6.5-inch HRLEL Carrier, the HFIR Hot Scrap Carrier, and the 10-inch ORR Experiment Removal Shield Cask. This report describes the shielding tasks for the 5 casks: determination of shielding characteristics, any streaming avenues, estimation of thermal limits, and shielding calculational uncertainty for use in the transportation plan

  19. Active Radiation Shield, Phase I

    Data.gov (United States)

    National Aeronautics and Space Administration — DEC-Shield technology offers the means to generate electric power from cosmic radiation sources and fuse dissimilar systems and functionality into a structural...

  20. Gonad shielding in computerized tomography

    International Nuclear Information System (INIS)

    Rockstroh, G.

    1984-01-01

    The reduction of gonadal dose by shielding of the gonads was investigated for a Somatom 2 using an anthropomorphic phantom. For small distances from the slice examined the gonadal dose results from intracorporal secondary radiation and is only insignificantly reduced by shielding. For greater distances shielding is relatively more effective, the gonadal dose however is small because of the approximately exponential decay. Shielding of the gonads therefore does not seem adequate for the reduction of gonadal dose. From dose measurements in cylinder phantoms of several diameters it appears that no different results would be obtained for children and young adults. An effective reduction of gonadal dose is only possible with lead capsules for males. (author)

  1. Radiation shielding for neutron guides

    International Nuclear Information System (INIS)

    Ersez, T.; Braoudakis, G.; Osborn, J.C.

    2005-01-01

    Full text: Models of the neutron guide shielding for the out of bunker guides on the thermal and cold neutron beam lines of the OPAL Reactor (ANSTO) were constructed using the Monte Carlo code MCNP 4B. The neutrons that were not reflected inside the guides but were absorbed by the supermirror (SM) layers were noted to be a significant source of gammas. Gammas also arise from neutrons absorbed by the B, Si, Na and K contained in the glass. The proposed shielding design has produced compact shielding assemblies. These arrangements are consistent with safety requirements, floor load limits, and cost constraints. To verify the design a prototype was assembled consisting of 120mm thick Pb(96%)Sb(4%) walls resting on a concrete block. There was good agreement between experimental measurements and calculated dose rates for bulk shield regions. (authors)

  2. Shielding calculations. Optimization vs. Paradigms

    International Nuclear Information System (INIS)

    Cornejo Diaz, Nestor; Hernandez Saiz, Alejandro; Martinez Gonzalez, Alina

    2005-01-01

    Many radiation shielding barriers in Cuba have been designed according to the criterion of Maxi-mum Projected Dose Rates. This fact has created the paradigm of low dose rates. Because of this, dose rate levels greater than units of Sv.h-1 would be considered unacceptable by many specialists, regardless of the real exposure times. Nowadays many shielding barriers are being designed using dose constraints in real exposure times. Behind the new barriers, dose rates could be notably greater than those behind the traditional ones, and it does not imply inadequate designs or constructive errors. In this work were obtained significant differences in dose rate levels and shield-ing thicknesses calculated by both methods for some typical installations. The work concludes that real exposure time approach is more adequate in order to optimise Radiation Protection, although this method should be carefully applied

  3. Radiation shielding for neutron guides

    International Nuclear Information System (INIS)

    Ersez, T.; Braoudakis, G.; Osborn, J.C.

    2006-01-01

    Models of the neutron guide shielding for the out of bunker guides on the thermal and cold neutron beam lines of the OPAL Reactor (ANSTO) were constructed using the Monte Carlo code MCNP 4B. The neutrons that were not reflected inside the guides but were absorbed by the supermirror (SM) layers were noted to be a significant source of gammas. Gammas also arise from neutrons absorbed by the B, Si, Na and K contained in the glass. The proposed shielding design has produced compact shielding assemblies. These arrangements are consistent with safety requirements, floor load limits, and cost constraints. To verify the design a prototype was assembled consisting of 120 mm thick Pb(96%)Sb(4%) walls resting on a concrete block. There was good agreement between experimental measurements and calculated dose rates for bulk shield regions

  4. Fully automated system for pulsed NMR measurements

    International Nuclear Information System (INIS)

    Cantor, D.M.

    1977-01-01

    A system is described which places many of the complex, tedious operations for pulsed NMR experiments under computer control. It automatically optimizes the experiment parameters of pulse length and phase, and precision, accuracy, and measurement speed are improved. The hardware interface between the computer and the NMR instrument is described. Design features, justification of the choices made between alternative design strategies, and details of the implementation of design goals are presented. Software features common to all the available experiments are discussed. Optimization of pulse lengths and phases is performed via a sequential search technique called Uniplex. Measurements of the spin-lattice and spin-spin relaxation times and of diffusion constants are automatic. Options for expansion of the system are explored along with some of the limitations of the system

  5. Knowns and unknowns in metabolomics identified by multidimensional NMR and hybrid MS/NMR methods

    Energy Technology Data Exchange (ETDEWEB)

    Bingol, Kerem; Brüschweiler, Rafael

    2017-02-01

    Metabolomics continues to make rapid progress through the development of new and better methods and their applications to gain insight into the metabolism of a wide range of different biological systems from a systems biology perspective. Customization of NMR databases and search tools allows the faster and more accurate identification of known metabolites, whereas the identification of unknowns, without a need for extensive purification, requires new strategies to integrate NMR with mass spectrometry, cheminformatics, and computational methods. For some applications, the use of covalent and non-covalent attachments in the form of labeled tags or nanoparticles can significantly reduce the complexity of these tasks.

  6. URR-PACK: Calculating Self-Shielding in the Unresolved Resonance Energy Range

    International Nuclear Information System (INIS)

    Cullen, Dermott E.; Trkov, Andrej

    2016-07-01

    This report describes HOW to calculate self-shielding in the unresolved resonance region (URR), in terms of the computer codes we provide to allow a user to do these calculations himself. Here we only describe HOW to calculate; a longer companion report describes in detail WHY it is necessary to include URR self-shielding.

  7. Surface analysis of PEGylated nano-shields on nanoparticles installed by hydrophobic anchors

    DEFF Research Database (Denmark)

    Ebbesen, M F; Whitehead, Bradley Joseph; Gonzalez, Borja Ballarin

    2013-01-01

    and cellular interactions. Methods: Poly(lactic-co-glycolic acid) (PLGA) nanoparticles were prepared with a hydrophilic PEGylated "nano-shield" inserted at different levels by hydrophobic anchoring using either a phospholipid-PEG conjugate or the copolymer PLGA-block-PEG by an emulsification/diffusion method....... Surface and bulk analysis was performed including X-ray photoelectron spectroscopy (XPS), nuclear magnetic resonance spectroscopy (NMR) and zeta potential. Cellular uptake was investigated in RAW 264.7 macrophages by flow cytometry. Results: Sub-micron nanoparticles were formed and the combination of (NMR...

  8. Measuring space radiation shielding effectiveness

    Directory of Open Access Journals (Sweden)

    Bahadori Amir

    2017-01-01

    Full Text Available Passive radiation shielding is one strategy to mitigate the problem of space radiation exposure. While space vehicles are constructed largely of aluminum, polyethylene has been demonstrated to have superior shielding characteristics for both galactic cosmic rays and solar particle events due to the high hydrogen content. A method to calculate the shielding effectiveness of a material relative to reference material from Bragg peak measurements performed using energetic heavy charged particles is described. Using accelerated alpha particles at the National Aeronautics and Space Administration Space Radiation Laboratory at Brookhaven National Laboratory, the method is applied to sample tiles from the Heat Melt Compactor, which were created by melting material from a simulated astronaut waste stream, consisting of materials such as trash and unconsumed food. The shielding effectiveness calculated from measurements of the Heat Melt Compactor sample tiles is about 10% less than the shielding effectiveness of polyethylene. Shielding material produced from the astronaut waste stream in the form of Heat Melt Compactor tiles is therefore found to be an attractive solution for protection against space radiation.

  9. Measuring space radiation shielding effectiveness

    Science.gov (United States)

    Bahadori, Amir; Semones, Edward; Ewert, Michael; Broyan, James; Walker, Steven

    2017-09-01

    Passive radiation shielding is one strategy to mitigate the problem of space radiation exposure. While space vehicles are constructed largely of aluminum, polyethylene has been demonstrated to have superior shielding characteristics for both galactic cosmic rays and solar particle events due to the high hydrogen content. A method to calculate the shielding effectiveness of a material relative to reference material from Bragg peak measurements performed using energetic heavy charged particles is described. Using accelerated alpha particles at the National Aeronautics and Space Administration Space Radiation Laboratory at Brookhaven National Laboratory, the method is applied to sample tiles from the Heat Melt Compactor, which were created by melting material from a simulated astronaut waste stream, consisting of materials such as trash and unconsumed food. The shielding effectiveness calculated from measurements of the Heat Melt Compactor sample tiles is about 10% less than the shielding effectiveness of polyethylene. Shielding material produced from the astronaut waste stream in the form of Heat Melt Compactor tiles is therefore found to be an attractive solution for protection against space radiation.

  10. A theoretical study of the fast-neutron attenuation in Ghanaian serpentine shields

    International Nuclear Information System (INIS)

    Akaho, E.H.K.; Anim-Sampong, S.

    1994-01-01

    Theoretical calculations were done to determine the suitability of local serpentine rocks for shielding fast neutrons. A coupled neutron-gamma library of 25 energy groups, IRAN3.LIB developed for ANISN/PC was used to generate nuclear data for the tested shields. Calculations were carried out assuming a P 3 scattering order for spherical geometry with S 6 angular quadrature. From the trends of attenuation and computer factors such as relaxation length and transmission there is the indication that the shielding properties of the local shields are better than the foreign serpentine shields used in this study. They are slightly inferior to ordinary concrete employed in shielding power reactors. (author). 9 refs.; 5 tabs.; 5 figs

  11. Evaluation of the gamma radiation shielding parameters of bismuth modified quaternary glass system

    Science.gov (United States)

    Kaur, Parminder; Singh, K. J.; Thakur, Sonika

    2018-05-01

    Glasses modified with heavy metal oxides (HMO) are an interesting area of research in the field of gamma-ray shielding. Bismuth modified lithium-zinc-borate glasses have been studied whereby bismuth oxide is added from 0 to 50 mol%. The gamma ray shielding properties of the glasses were evaluated at photon energy 662 keV with the help of XMuDat computer program by using the Hubbell and Seltzer database. Various gamma ray shielding parameters such as attenuation coefficient, shield thickness in terms of half and tenth value layer, effective atomic number have been studied in this work. A useful comparison of this glass system has been made with standard radiation shielding concretes viz. ordinary, barite and iron concrete. The glass samples containing 20 to 50 mol% bismuth oxide have shown better gamma ray shielding properties and hence have the potential to become good radiation absorbers.

  12. Multinuclear (27Al, 29Si, 47,49Ti) solid-state NMR of titanium substituted zeolite USY.

    Science.gov (United States)

    Ganapathy, S; Gore, K U; Kumar, Rajiv; Amoureux, Jean-Paul

    2003-01-01

    Multinuclear solid-state NMR spectroscopy, employing 29Si MAS,27Al MAS/3Q-MAS and (47,49)Ti wide-line experiments, has been used for the structural characterization of titanium substituted ultra-stable zeolite Y (Ti-USY). 27Al MAS experiments show the presence of aluminum in four (Al(IV)), five (Al(V)), and six (Al(VI)) coordination, whereas the multiplicity within Al(IV) and Al(VI) is revealed by 27Al 3Q-MAS experiments. Two different tetrahedral and octahedral Al environments are resolved and their isotropic chemical shifts (delta(CS)) and second-order quadrupole interaction parameters (P(Q)) have been determined by a graphical analysis of the 3Q-MAS spectra. The emergence of signal with higher intensity at -101 ppm in the 29Si MAS spectrum of Ti-USY samples indicates the possible occurrence of Q4(3Si,1Ti) type silicon environments due to titanium substitution in the faujasite framework. High-field (11.74T) operation, using a probehead specially designed to handle a large sample volume, has enabled the acquisition of 47,49Ti static spectra and identification of the titanium environment in the zeolite. The chemical shielding and electric field gradient tensors for the titanium environment in the zeolite have been determined by a computer simulation of the quadrupolar broadened static 47,49Ti NMR spectra.

  13. SU-F-E-13: Design and Fabrication of Gynacological Brachytherapy Shielding & Non Shielding Applicators Using Indigenously Developed 3D Printing Machine

    Energy Technology Data Exchange (ETDEWEB)

    Shanmugam, S

    2016-06-15

    Purpose: In this innovative work we have developed Gynecological Brachytherapy shielding & Non Shielding Applicators and compared with the commercially available applicators by using the indigenously developed 3D Printing machine. Methods: We have successfully indigenously developed the 3D printing machine. Which contain the 3 dimensional motion platform, Heater unit, base plate, ect… To fabricate the Gynecological Brachytherapy shielding & non shielding applicators the 3D design were developed in the computer as virtual design. This virtual design is made in a CAD computer file using a 3D modeling program. Separate programme for the shielding & non shielding applicators. We have also provided the extra catheter insert provision in the applicator for the multiple catheter. The DICOM file of the applicator were then converted to stereo Lithography file for the 3D printer. The shielding & Non Shielding Applicators were printed on a indigenously developed 3D printer material. The same dimensions were used to develop the applicators in the acrylic material also for the comparative study. A CT scan was performed to establish an infill-density calibration curve as well as characterize the quality of the print such as uniformity and the infill pattern. To commission the process, basic CT and dose properties of the printing materials were measured in photon beams and compared against water and soft tissue. Applicator were then scanned to confirm the placement of multiple catheter position. Finally dose distributions with rescanned CTs were compared with those computer-generated applicators. Results: The doses measured from the ion Chamber and X-Omat film test were within 2%. The shielded applicator reduce the rectal dose comparatively with the non shielded applicator. Conclusion: As of submission 3 unique cylinders have been designed, printed, and tested dosimetrically. A standardizable workflow for commissioning custom 3D printed applicators was codified and will be

  14. SU-F-E-13: Design and Fabrication of Gynacological Brachytherapy Shielding & Non Shielding Applicators Using Indigenously Developed 3D Printing Machine

    International Nuclear Information System (INIS)

    Shanmugam, S

    2016-01-01

    Purpose: In this innovative work we have developed Gynecological Brachytherapy shielding & Non Shielding Applicators and compared with the commercially available applicators by using the indigenously developed 3D Printing machine. Methods: We have successfully indigenously developed the 3D printing machine. Which contain the 3 dimensional motion platform, Heater unit, base plate, ect… To fabricate the Gynecological Brachytherapy shielding & non shielding applicators the 3D design were developed in the computer as virtual design. This virtual design is made in a CAD computer file using a 3D modeling program. Separate programme for the shielding & non shielding applicators. We have also provided the extra catheter insert provision in the applicator for the multiple catheter. The DICOM file of the applicator were then converted to stereo Lithography file for the 3D printer. The shielding & Non Shielding Applicators were printed on a indigenously developed 3D printer material. The same dimensions were used to develop the applicators in the acrylic material also for the comparative study. A CT scan was performed to establish an infill-density calibration curve as well as characterize the quality of the print such as uniformity and the infill pattern. To commission the process, basic CT and dose properties of the printing materials were measured in photon beams and compared against water and soft tissue. Applicator were then scanned to confirm the placement of multiple catheter position. Finally dose distributions with rescanned CTs were compared with those computer-generated applicators. Results: The doses measured from the ion Chamber and X-Omat film test were within 2%. The shielded applicator reduce the rectal dose comparatively with the non shielded applicator. Conclusion: As of submission 3 unique cylinders have been designed, printed, and tested dosimetrically. A standardizable workflow for commissioning custom 3D printed applicators was codified and will be

  15. NMR analog of Bell's inequalities violation test

    International Nuclear Information System (INIS)

    Souza, A M; Oliveira, I S; Sarthour, R S; Magalhaes, A; Teles, J; Azevedo, E R de; Bonagamba, T J

    2008-01-01

    In this paper, we present an analog of Bell's inequalities violation test for N qubits to be performed in a nuclear magnetic resonance (NMR) quantum computer. This can be used to simulate or predict the results for different Bell's inequality tests, with distinct configurations and a larger number of qubits. To demonstrate our scheme, we implemented a simulation of the violation of the Clauser, Horne, Shimony and Holt (CHSH) inequality using a two-qubit NMR system and compared the results to those of a photon experiment. The experimental results are well described by the quantum mechanics theory and a local realistic hidden variables model (LRHVM) that was specifically developed for NMR. That is why we refer to this experiment as a simulation of Bell's inequality violation. Our result shows explicitly how the two theories can be compatible with each other due to the detection loophole. In the last part of this work, we discuss the possibility of testing some fundamental features of quantum mechanics using NMR with highly polarized spins, where a strong discrepancy between quantum mechanics and hidden variables models can be expected

  16. Computer Series, 99: Bits and Pieces, 39.

    Science.gov (United States)

    Moore, John W., Ed.

    1989-01-01

    Presents five computer programs: (1) Accurate Numerical Solutions of the One-Dimensional Schrodinger Equation; (2) NMR Simulation and Interactive Drill/Interpretation; (3) A Simple Computer Program for the Calculation of 13C-NMR Chemical Shifts; (4) Constants of 1:1 Complexes from NMR or Spectrophotometric Measurements; and (5) Saturation…

  17. CcpNmr AnalysisAssign: a flexible platform for integrated NMR analysis

    Energy Technology Data Exchange (ETDEWEB)

    Skinner, Simon P.; Fogh, Rasmus H. [University of Leicester, Department of Molecular and Cell Biology, Leicester Institute for Structural- and Chemical Biology (United Kingdom); Boucher, Wayne [University of Cambridge, Department of Biochemistry (United Kingdom); Ragan, Timothy J.; Mureddu, Luca G.; Vuister, Geerten W., E-mail: gv29@le.ac.uk [University of Leicester, Department of Molecular and Cell Biology, Leicester Institute for Structural- and Chemical Biology (United Kingdom)

    2016-10-15

    NMR spectroscopy is an indispensably powerful technique for the analysis of biomolecules under ambient conditions, both for structural- and functional studies. However, in practice the complexity of the technique has often frustrated its application by non-specialists. In this paper, we present CcpNmr version-3, the latest software release from the Collaborative Computational Project for NMR, for all aspects of NMR data analysis, including liquid- and solid-state NMR data. This software has been designed to be simple, functional and flexible, and aims to ensure that routine tasks can be performed in a straightforward manner. We have designed the software according to modern software engineering principles and leveraged the capabilities of modern graphics libraries to simplify a variety of data analysis tasks. We describe the process of backbone assignment as an example of the flexibility and simplicity of implementing workflows, as well as the toolkit used to create the necessary graphics for this workflow. The package can be downloaded from www.ccpn.ac.uk/v3-software/downloads http://www.ccpn.ac.uk/v3-software/downloads and is freely available to all non-profit organisations.

  18. CcpNmr AnalysisAssign: a flexible platform for integrated NMR analysis

    International Nuclear Information System (INIS)

    Skinner, Simon P.; Fogh, Rasmus H.; Boucher, Wayne; Ragan, Timothy J.; Mureddu, Luca G.; Vuister, Geerten W.

    2016-01-01

    NMR spectroscopy is an indispensably powerful technique for the analysis of biomolecules under ambient conditions, both for structural- and functional studies. However, in practice the complexity of the technique has often frustrated its application by non-specialists. In this paper, we present CcpNmr version-3, the latest software release from the Collaborative Computational Project for NMR, for all aspects of NMR data analysis, including liquid- and solid-state NMR data. This software has been designed to be simple, functional and flexible, and aims to ensure that routine tasks can be performed in a straightforward manner. We have designed the software according to modern software engineering principles and leveraged the capabilities of modern graphics libraries to simplify a variety of data analysis tasks. We describe the process of backbone assignment as an example of the flexibility and simplicity of implementing workflows, as well as the toolkit used to create the necessary graphics for this workflow. The package can be downloaded from www.ccpn.ac.uk/v3-software/downloads http://www.ccpn.ac.uk/v3-software/downloads and is freely available to all non-profit organisations.

  19. NMR, water and plants

    International Nuclear Information System (INIS)

    As, H. van.

    1982-01-01

    This thesis describes the application of a non-destructive pulsed proton NMR method mainly to measure water transport in the xylem vessels of plant stems and in some model systems. The results are equally well applicable to liquid flow in other biological objects than plants, e.g. flow of blood and other body fluids in human and animals. The method is based on a pulse sequence of equidistant π pulses in combination with a linear magnetic field gradient. (Auth.)

  20. Electrodynamic Dust Shield Demonstrator

    Science.gov (United States)

    Stankie, Charles G.

    2013-01-01

    The objective of the project was to design and manufacture a device to demonstrate a new technology developed by NASA's Electrostatics and Surface Physics Laboratory. The technology itself is a system which uses magnetic principles to remove regolith dust from its surface. This project was to create an enclosure that will be used to demonstrate the effectiveness of the invention to The Office of the Chief Technologist. ONE of the most important challenges of space exploration is actually caused by something very small and seemingly insignificant. Dust in space, most notably on the moon and Mars, has caused many unforeseen issues. Dirt and dust on Earth, while a nuisance, can be easily cleaned and kept at bay. However, there is considerably less weathering and erosion in space. As a result, the microscopic particles are extremely rough and abrasive. They are also electrostatically charged, so they cling to everything they make contact with. This was first noted to be a major problem during the Apollo missions. Dust would stick to the spacesuits, and could not be wiped off as predicted. Dust was brought back into the spacecraft, and was even inhaled by astronauts. This is a major health hazard. Atmospheric storms and other events can also cause dust to coat surfaces of spacecraft. This can cause abrasive damage to the craft. The coating can also reduce the effectiveness of thermal insulation and solar panels.' A group of engineers at Kennedy Space Center's Electrostatics and Surface Physics Laboratory have developed a new technology, called the Electrodynamic Dust Shield, to help alleviate these problems. It is based off of the electric curtain concept developed at NASA in 1967. "The EDS is an active dust mitigation technology that uses traveling electric fields to transport electrostatically charged dust particles along surfaces. To generate the traveling electric fields, the EDS consists of a multilayer dielectric coating with an embedded thin electrode grid

  1. Unresolved resonance self shielding calculation: causes and importance of discrepancies

    International Nuclear Information System (INIS)

    Ribon, P.; Tellier, H.

    1986-09-01

    To compute the self shielding coefficient, it is necessary to know the point-wise cross-sections. In the unresolved resonance region, we do not know the parameters of each level but only the average parameters. Therefore we simulate the point-wise cross-section by random sampling of the energy levels and resonance parameters with respect to the Wigner law and the X 2 distributions, and by computing the cross-section in the same way as in the resolved regions. The result of this statistical calculation obviously depends on the initial parameters but also on the method of sampling, on the formalism which is used to compute the cross-section or on the weighting neutron flux. In this paper, we will survey the main phenomena which can induce discrepancies in self shielding computations. Results are given for typical dilutions which occur in nuclear reactors. 8 refs

  2. Unresolved resonance self shielding calculation: causes and importance of discrepancies

    International Nuclear Information System (INIS)

    Ribon, P.; Tellier, H.

    1986-01-01

    To compute the self shielding coefficient, it is necessary to know the point-wise cross-sections. In the unresolved resonance region, the parameters of each level are not known; only the average parameters. Therefore the authors simulate the point-wise cross-section by random sampling of the energy levels and resonance parameters with respect to the Wigner law and the x 2 distributions, and by computing the cross-section in the same way as in the resolved regions. The result of this statistical calculation obviously depends on the initial parameters but also on the method of sampling, on the formalism which is used to compute the cross-section or on the weighting neutron flux. In this paper, the authors survey the main phenomena which can induce discrepancies in self shielding computations. Results are given for typical dilutions which occur in nuclear reactors

  3. A novel in situ electrochemical NMR cell with a palisade gold film electrode

    Science.gov (United States)

    Ni, Zu-Rong; Cui, Xiao-Hong; Cao, Shuo-Hui; Chen, Zhong

    2017-08-01

    In situ electrochemical nuclear magnetic resonance (EC-NMR) has attracted considerable attention because of its ability to directly observe real-time electrochemical processes. Therefore, minimizing the incompatibility between the electrochemical device and NMR detection has become an important challenge. A circular thin metal film deposited on the outer surface of a glass tube with a thickness considerably less than the metal skin depth is considered to be the ideal working electrode. In this study, we demonstrate that such a thin film electrode still has a great influence on the radio frequency field homogeneity in the detective zone of the NMR spectrometer probe and provide theoretical and experimental confirmation of its electromagnetic shielding. Furthermore, we propose a novel palisade gold film device to act as the working electrode. The NMR nutation behavior of protons shows that the uniformity of the radio frequency field is greatly improved, increasing the sensitivity in NMR detection. Another advantage of the proposed device is that an external reference standard adapted to the reaction compound can be inserted as a probe to determine the fluctuation of the physico-chemical environment and achieve high-accuracy quantitative NMR analysis. A three-chamber electrochemical device based on the palisade gold film design was successfully fabricated and the in situ electrochemical NMR performance was validated in a standard 5 mm NMR probe by acquiring voltammograms and high-resolution NMR spectra to characterize the electrochemically generated species. The evolution of in situ EC-NMR spectrum monitoring of the redox transformation between p-benzoquinone and hydroquinone demonstrates the ability of the EC-NMR device to simultaneously quantitatively determine the reactants and elucidate the reaction mechanism at the molecular level.

  4. A novel in situ electrochemical NMR cell with a palisade gold film electrode

    Directory of Open Access Journals (Sweden)

    Zu-Rong Ni

    2017-08-01

    Full Text Available In situ electrochemical nuclear magnetic resonance (EC-NMR has attracted considerable attention because of its ability to directly observe real-time electrochemical processes. Therefore, minimizing the incompatibility between the electrochemical device and NMR detection has become an important challenge. A circular thin metal film deposited on the outer surface of a glass tube with a thickness considerably less than the metal skin depth is considered to be the ideal working electrode. In this study, we demonstrate that such a thin film electrode still has a great influence on the radio frequency field homogeneity in the detective zone of the NMR spectrometer probe and provide theoretical and experimental confirmation of its electromagnetic shielding. Furthermore, we propose a novel palisade gold film device to act as the working electrode. The NMR nutation behavior of protons shows that the uniformity of the radio frequency field is greatly improved, increasing the sensitivity in NMR detection. Another advantage of the proposed device is that an external reference standard adapted to the reaction compound can be inserted as a probe to determine the fluctuation of the physico-chemical environment and achieve high-accuracy quantitative NMR analysis. A three-chamber electrochemical device based on the palisade gold film design was successfully fabricated and the in situ electrochemical NMR performance was validated in a standard 5 mm NMR probe by acquiring voltammograms and high-resolution NMR spectra to characterize the electrochemically generated species. The evolution of in situ EC-NMR spectrum monitoring of the redox transformation between p-benzoquinone and hydroquinone demonstrates the ability of the EC-NMR device to simultaneously quantitatively determine the reactants and elucidate the reaction mechanism at the molecular level.

  5. Radiation shielding in dental radiography

    International Nuclear Information System (INIS)

    Stenstroem, B.; Rehnmark-Larsson, S.; Julin, P.; Richter, S.

    1983-01-01

    The protective effect in the thyroid region from different types of radiation shieldings at intraoral radiography has been studied as well as the reduction of the absorbed dose to the sternal and the gonadal regions. The shieldings tested were five different types of leaded aprons, of which three had an attached leaded collar and the other two were used in combination with separate soft leaded collars. Furthermore one of the soft leaded collars and an unflexible horizontal leaded shield were tested separately. Two dental x-ray machines of 60 and 65 kVp with rectangular and circular tube collimators were used. The exposure time corresponded to speed group E film. The absorbed doses were measured with two ionization chambers. No significant difference in the protective effect in the thyroid gland could be found between the different types of radiation shieldings. There was a dose reduction by approximately a factor of 2 to the thyroid region down to 0.08 mGy per full survey using parallelling technique, and below 0.001 mGy per single bitewing exposure. The shieldings reduced the thyroid dose using bisecting-angle technique by a factor of 5 down to 0.15 mGy per full survey (20 exposures). In the sternal region the combinations of apron and collar reduced the absorbed dose from a full survey to below 2 μGy compared with 18 μGy (parallelling) and 31 μGy (biscting-angle) without any shielding. With the horizontal leaded shield a reduction by a factor of 6 was obtained but no significant sternal dose reduction could be detected from the soft collar alone. The gonadal dose could be reduced by a factor of 10 with the horizontal leaded shield, parallelling technique and circular collimator. Using leaded aprons the gonadal dose was approximately one per cent of the dose without any shielding, i.e. below 0.01 μGy per single intraoral exposure. (Authors)

  6. Monte Carlo shielding analyses using an automated biasing procedure

    International Nuclear Information System (INIS)

    Tang, J.S.; Hoffman, T.J.

    1988-01-01

    A systematic and automated approach for biasing Monte Carlo shielding calculations is described. In particular, adjoint fluxes from a one-dimensional discrete ordinates calculation are used to generate biasing parameters for a Monte Carlo calculation. The entire procedure of adjoint calculation, biasing parameters generation, and Monte Carlo calculation has been automated. The automated biasing procedure has been applied to several realistic deep-penetration shipping cask problems. The results obtained for neutron and gamma-ray transport indicate that with the automated biasing procedure Monte Carlo shielding calculations of spent-fuel casks can be easily performed with minimum effort and that accurate results can be obtained at reasonable computing cost

  7. Shielding features of quarry stone

    International Nuclear Information System (INIS)

    Hernandez V, C.; Contreras S, H.; Hernandez A, L.; Baltazar R, A.; Escareno J, E.; Mares E, C. A.; Vega C, H. R.

    2010-10-01

    Quarry stone lineal attenuation coefficient for gamma-rays has been obtained. In Zacatecas, quarry stone is widely utilized as a decorative item in buildings, however its shielding features against gamma-rays unknown. The aim of this work is to determine the shielding properties of quarry stone against γ-rays using Monte Carlo calculations where a detailed model of a good geometry experimental setup was carried out. In the calculations 10 pieces 10 X 10 cm 2 of different thickness were utilized to evaluate the photons transmission as the quarry stone thickness is increased. It was noticed that transmitted photons decay away as the shield thickness is increased, these results were fitted to an exponential function were the linear attenuation coefficient was estimated. Also, using XCOM code the linear attenuation coefficient from several keV up to 100 MeV was estimated. From the comparison between Monte Carlo results and XCOM calculations a good agreement was found. For 0.662 MeV γ-rays the attenuation coefficient of quarry stone, whose density is 2.413 g-cm -3 , is 0.1798 cm -1 , this mean a X 1/2 = 3.9 cm, X 1/4 = 7.7 cm, X 1/10 = 12.8 cm, and X 1/100 = 25.6 cm. Having the information of quarry stone performance as shielding give the chance to use this material to shield X and γ-ray facilities. (Author)

  8. Structural properties of carbon nanotubes derived from 13C NMR

    KAUST Repository

    Abou-Hamad, E.

    2011-10-10

    We present a detailed experimental and theoretical study on how structural properties of carbon nanotubes can be derived from 13C NMR investigations. Magic angle spinning solid state NMR experiments have been performed on single- and multiwalled carbon nanotubes with diameters in the range from 0.7 to 100 nm and with number of walls from 1 to 90. We provide models on how diameter and the number of nanotube walls influence NMR linewidth and line position. Both models are supported by theoretical calculations. Increasing the diameter D, from the smallest investigated nanotube, which in our study corresponds to the inner nanotube of a double-walled tube to the largest studied diameter, corresponding to large multiwalled nanotubes, leads to a 23.5 ppm diamagnetic shift of the isotropic NMR line position δ. We show that the isotropic line follows the relation δ = 18.3/D + 102.5 ppm, where D is the diameter of the tube and NMR line position δ is relative to tetramethylsilane. The relation asymptotically tends to approach the line position expected in graphene. A characteristic broadening of the line shape is observed with the increasing number of walls. This feature can be rationalized by an isotropic shift distribution originating from different diamagnetic shielding of the encapsulated nanotubes together with a heterogeneity of the samples. Based on our results, NMR is shown to be a nondestructive spectroscopic method that can be used as a complementary method to, for example, transmission electron microscopy to obtain structural information for carbon nanotubes, especially bulk samples.

  9. Radiation Shielding Materials and Containers Incorporating Same

    Energy Technology Data Exchange (ETDEWEB)

    Mirsky, Steven M.; Krill, Stephen J.; and Murray, Alexander P.

    2005-11-01

    An improved radiation shielding material and storage systems for radioactive materials incorporating the same. The PYRolytic Uranium Compound (''PYRUC'') shielding material is preferably formed by heat and/or pressure treatment of a precursor material comprising microspheres of a uranium compound, such as uranium dioxide or uranium carbide, and a suitable binder. The PYRUC shielding material provides improved radiation shielding, thermal characteristic, cost and ease of use in comparison with other shielding materials. The shielding material can be used to form containment systems, container vessels, shielding structures, and containment storage areas, all of which can be used to house radioactive waste. The preferred shielding system is in the form of a container for storage, transportation, and disposal of radioactive waste. In addition, improved methods for preparing uranium dioxide and uranium carbide microspheres for use in the radiation shielding materials are also provided.

  10. MMW [multimegawatt] shielding design and analysis

    International Nuclear Information System (INIS)

    Olson, A.P.

    1988-01-01

    Reactor shielding for multimegawatt (MMW) space power must satisfy a mass constraint as well as performance specifications for neutron fluence and gamma dose. A minimum mass shield is helpful in attaining the launch mass goal for the entire vehicle, because the shield comprises about 1% to 2% of the total vehicle mass. In addition, the shield internal heating must produce tolerable temperatures. The analysis of shield performance for neutrons and gamma rays is emphasized. Topics addressed include cross section preparation for multigroup 2D S/sub n/-transport analyses, and the results of parametric design studies on shadow shield performance and mass versus key shield design variables such as cone angle, number, placement, and thickness of layers of tungsten, and shield top radius. Finally, adjoint methods are applied to the shield in order to spatially map its relative contribution to dose reduction, and to provide insight into further design optimization. 7 refs., 2 figs., 3 tabs

  11. Magnetic shielding for superconducting RF cavities

    Science.gov (United States)

    Masuzawa, M.; Terashima, A.; Tsuchiya, K.; Ueki, R.

    2017-03-01

    Magnetic shielding is a key technology for superconducting radio frequency (RF) cavities. There are basically two approaches for shielding: (1) surround the cavity of interest with high permeability material and divert magnetic flux around it (passive shielding); and (2) create a magnetic field using coils that cancels the ambient magnetic field in the area of interest (active shielding). The choice of approach depends on the magnitude of the ambient magnetic field, residual magnetic field tolerance, shape of the magnetic shield, usage, cost, etc. However, passive shielding is more commonly used for superconducting RF cavities. The issue with passive shielding is that as the volume to be shielded increases, the size of the shielding material increases, thereby leading to cost increase. A recent trend is to place a magnetic shield in a cryogenic environment inside a cryostat, very close to the cavities, reducing the size and volume of the magnetic shield. In this case, the shielding effectiveness at cryogenic temperatures becomes important. We measured the permeabilities of various shielding materials at both room temperature and cryogenic temperature (4 K) and studied shielding degradation at that cryogenic temperature.

  12. Superconducting magnetic shields production. Realisation d'ecrans magnetiques supraconducteurs

    Energy Technology Data Exchange (ETDEWEB)

    Lainee, F; Kormann, R [Thomson-CSF, Domaine de Corbeville, 91 - Orsay (FR); Lainee, F [Ecole des Mines de Paris, 91 - Evry (FR)

    1992-02-01

    Low fields and low frequency shielding properties of YBCO magnetic shields are measured at 77 K. They compare favourably with shielding properties of mumetal shields. Therefore high-T{sub c} superconducting magnetic shields can already be used to shield small volumes. The case of magnetic shields for large volumes is also discussed. 3 refs; 6 figs; 4 tabs.

  13. Structure resolution of Ba5Al3F19 and Iivestigation of fluorine ion dynamics by synchrotron powder diffraction, variable-temperature solid-state NMR, and quantum computations

    International Nuclear Information System (INIS)

    Martineau, C.; Fayon, F.; Suchomel, M.R.; Allix, M.; Massiot, D.; Taulelle, F.

    2011-01-01

    The room temperature structure of Ba 5 Al 3 F 19 has been solved using electron microscopy and synchrotron powder diffraction data. One-dimensional (1D) 27 Al and ultrafast magic-angle-spinning (MAS) 19 F NMR spectra have been recorded and are in agreement with the proposed structural model for Ba 5 Al 3 F 19 . The 19 F isotropic chemical shift and 27 Al quadrupolar parameters have been calculated using the CASTEP code from the experimental and density functional theory geometry-optimized structures. After optimization, the calculated NMR parameters of both the 19 F and 27 Al nuclei show improved consistency with the experimental values, demonstrating that the geometry optimization step is necessary to obtain more accurate and reliable structural data. This also enables a complete and unambiguous assignment of the 19 F MAS NMR spectrum of Ba 5 Al 3 F 19 . Variable-temperature 1D MAS 19 F NMR experiments have been carried out, showing the occurrence of fluorine ion mobility. Complementary insights were obtained from both two-dimensional (2D) exchange and 2D double-quantum dipolar recoupling NMR experiments, and a detailed analysis of the anionic motion in Ba 5 Al 3 F 19 is proposed, including the distinction between reorientational processes and chemical exchange involving bond breaking and re-formation.

  14. Radiation shielding for fission reactors

    Energy Technology Data Exchange (ETDEWEB)

    Oka, Yoshiaki [Tokyo Univ., Nuclear Engineering Research Laboratory, Tokyo (Japan)

    2000-03-01

    Radiation shielding aspects relating fission reactors have been reviewed. Domestic activities in the past five years have been mainly described concerning nuclear data, calculation methods, shielding and skyshine experiments, Advanced Boiling Water Reactor (ABWR), Advanced Pressurized Water Reactor (APWR), High Temperature Engineering Test Reactor (HTTR), Experimental and Prototype Fast Reactors (JOYO, MONJU), Demonstration FBR, core shroud replacement of BWR, and spent fuel transportation cask and vessel. These studies have valuable information in safety and cost reduction issues of fission reactor design for not only existing reactors but also new reactor concepts in the next century. It has been concluded that we should maintain existing shielding technologies and improve these data and methods for coming generations in the next millennium. (author)

  15. Shield cost minimization using SWAN

    International Nuclear Information System (INIS)

    Watkins, E.F.; Annese, C.E.; Greenspan, E.

    1993-01-01

    The common approach to the search for minimum cost shield designs is open-quotes trial-and-errorclose quotes; it proceeds as follows: 1. Based on prior experience and intuition, divide the shield into zones and assume their composition. 2. Solve the transport equation and calculate the relevant performance characteristics. 3. Change the composition or the geometry of one or a few of the zones and repeat step 2. 4. Repeat step 3 many times until the shield design appears to be optimal. 5. Select a different set of constituents and repeat steps 2,3, and 4. 6. Repeate step 5 a few or many times until the designer can point to the most cost-effective design

  16. Radiation shield for nuclear reactors

    International Nuclear Information System (INIS)

    Weissenfluh, J.A.

    1980-01-01

    A reusable radiation shield for use in a reactor installation comprises a thin-walled, flexible and resilient container, made of plastic or elastomeric material, containing a hydrogenous fluid with boron compounds in solution. The container can be filled and drained in position and the fluid can be recirculated if required. When not in use the container can be folded and stored in a small space. The invention relates to a shield to span the top of the annular space between a reactor vessel and the primary shield. For this purpose a continuous toroidal container or a series of discrete segments is used. Other forms can be employed for different purposes, e.g. mattress- or blanket-like forms can be draped over potential sources of radiation or suspended from a mobile carrier and placed between a worker and a radiation source. (author)

  17. Shielding walls against ionizing radiation

    International Nuclear Information System (INIS)

    1993-05-01

    Hot-cell shielding walls consist of building blocks made of lead according to DIN 25407 part 1, and of special elements according to DIN 25407 part 2. Alpha-gamma cells can be built using elements for protective contamination boxes according to DIN 25480 part 1. This standards document intends to provide planning engineers, manufacturers, future users and the competent authorities and experts with a basis for the design of hot cells with lead shielding walls and the design of hot-cell equipment. (orig./HP) [de

  18. Nuclear steam generator tubesheet shield

    International Nuclear Information System (INIS)

    Nickerson, J.H.D.; Ruhe, A.

    1982-01-01

    The invention involves improvements to a nuclear steam generator of the type in which a plurality of U-shaped tubes are connected at opposite ends to a tubesheet and extend between inlet and outlet chambers, with the steam generator including an integral preheater zone adjacent to the downflow legs of the U-shaped tubes. The improvement is a thermal shield disposed adjacent to an upper face of the tubesheet within the preheater zone, the shield including ductile cladding material applied directly to the upper face of the tubesheet, with the downflow legs of the U-shaped tubes extending through the cladding into the tubesheet

  19. Thiol-thione tautomeric analysis, spectroscopic (FT-IR, Laser-Raman, NMR and UV-vis) properties and DFT computations of 5-(3-pyridyl)-4H-1,2,4-triazole-3-thiol molecule.

    Science.gov (United States)

    Gökce, Halil; Öztürk, Nuri; Ceylan, Ümit; Alpaslan, Yelda Bingöl; Alpaslan, Gökhan

    2016-06-15

    In this study, the 5-(3-pyridyl)-4H-1,2,4-triazole-3-thiol molecule (C7H6N4S) molecule has been characterized by using FT-IR, Laser-Raman, NMR and UV-vis spectroscopies. Quantum chemical calculations have been performed to investigate the molecular structure (thione-thiol tautomerism), vibrational wavenumbers, electronic transition absorption wavelengths in DMSO solvent and vacuum, proton and carbon-13 NMR chemical shifts and HOMOs-LUMOs energies at DFT/B3LYP/6-311++G(d,p) level for all five tautomers of the title molecule. The obtained results show that the calculated vibrational wavenumbers, NMR chemical shifts and UV-vis wavelengths are in a good agreement with experimental data. Copyright © 2016 Elsevier B.V. All rights reserved.

  20. Superconducting and hybrid systems for magnetic field shielding

    International Nuclear Information System (INIS)

    Gozzelino, L; Gerbaldo, R; Ghigo, G; Laviano, F; Truccato, M; Agostino, A

    2016-01-01

    In this paper we investigate and compare the shielding properties of superconducting and hybrid superconducting/ferromagnetic systems, consisting of cylindrical cups with an aspect ratio of height/radius close to unity. First, we reproduced, by finite-element calculations, the induction magnetic field values measured along the symmetry axis in a superconducting (MgB 2 ) and in a hybrid configuration (MgB 2 /Fe) as a function of the applied magnetic field and of the position. The calculations are carried out using the vector potential formalism, taking into account simultaneously the non-linear properties of both the superconducting and the ferromagnetic material. On the basis of the good agreement between the experimental and the computed data we apply the same model to study the influence of the geometric parameters of the ferromagnetic cup as well as of the thickness of the lateral gap between the two cups on the shielding properties of the superconducting cup. The results show that in the considered non-ideal geometry, where the edge effect in the flux penetration cannot be disregarded, the superconducting shield is always the most efficient solution at low magnetic fields. However, a partial recovery of the shielding capability of the hybrid configuration occurs if a mismatch in the open edges of the two cups is considered. In contrast, at high magnetic fields the hybrid configurations are always the most effective. In particular, the highest shielding factor was found for solutions with the ferromagnetic cup protruding over the superconducting one. (paper)

  1. Magic Angle Spinning NMR Metabolomics

    Energy Technology Data Exchange (ETDEWEB)

    Zhi Hu, Jian

    2016-01-01

    Nuclear Magnetic Resonance (NMR) spectroscopy is a non-destructive, quantitative, reproducible, untargeted and unbiased method that requires no or minimal sample preparation, and is one of the leading analytical tools for metabonomics research [1-3]. The easy quantification and the no need of prior knowledge about compounds present in a sample associated with NMR are advantageous over other techniques [1,4]. 1H NMR is especially attractive because protons are present in virtually all metabolites and its NMR sensitivity is high, enabling the simultaneous identification and monitoring of a wide range of low molecular weight metabolites.

  2. NMR in clinical practice

    International Nuclear Information System (INIS)

    Smith, F.W.

    1987-01-01

    The development of NMR for clinical use has been complicated by a number of controversies, the largest of these being the question of what is the optimum field strength for proton imaging. Many workers believe that diagnostically useful images can only be produced at high field strength (i.e. 0.5 - 2.0 T), where in fact diagnostically useful images are made using field strengths of as low as 0.02 T. Because the method is more complex than X-ray CT, which relies on the measurement of only one parameter, tissue density, many new users have difficulty in selecting the correct imaging pulse sequence to provide the most useful image for diagnosis. NMR imaging pulse sequence may be selected to produce images of the proton density, T/sub 1/ or T/sub 2/ signals, or combinations of them. When this facility is used, images which are T/sub 1/ or T/sub 2/ weighted can be selected. Inversion-recovery sequences are more appropriate for imaging the abdomen where by selecting a short TR interval the signal from subcutaneous fat, which is the major cause of image artefact in abdominal imaging, is suppressed thereby improving image quality. The use of surface receiver coils, which are applied closely to the area of the body being examined is becoming more widespread and is of particular value when examining the orbits, facial structures, neck, breast, spine and limbs. The use of these coils together with a discussion of patient selection for NMR imaging, image interpretation and data storage follow

  3. Effect of Shielding Gas on the Properties of AW 5083 Aluminum Alloy Laser Weld Joints

    Science.gov (United States)

    Vyskoč, Maroš; Sahul, Miroslav; Sahul, Martin

    2018-04-01

    The paper deals with the evaluation of the shielding gas influence on the properties of AW 5083 aluminum alloy weld joints produced with disk laser. Butt weld joints were produced under different shielding gas types, namely Ar, He, Ar + 5 vol.% He, Ar + 30 vol.% He and without shielding weld pool. Light and electron microscopy, computed tomography, microhardness measurements and tensile testing were used for evaluation of weld joint properties. He-shielded weld joints were the narrowest ones. On the other hand, Ar-shielded weld joints exhibited largest weld width. The choice of shielding gas had significant influence on the porosity level of welds. The lowest porosity was observed in weld joint produced in Ar with the addition of 5 vol.% He shielding atmosphere (only 0.03%), while the highest level of porosity was detected in weld joint produced in pure He (0.24%). Except unshielded aluminum alloy weld joint, the lowest tensile strength was recorded in He-shielded weld joints. On the contrary, the highest average microhardness was measured in He-shielded weld joints.

  4. Structural biology by NMR: structure, dynamics, and interactions.

    Directory of Open Access Journals (Sweden)

    Phineus R L Markwick

    2008-09-01

    Full Text Available The function of bio-macromolecules is determined by both their 3D structure and conformational dynamics. These molecules are inherently flexible systems displaying a broad range of dynamics on time-scales from picoseconds to seconds. Nuclear Magnetic Resonance (NMR spectroscopy has emerged as the method of choice for studying both protein structure and dynamics in solution. Typically, NMR experiments are sensitive both to structural features and to dynamics, and hence the measured data contain information on both. Despite major progress in both experimental approaches and computational methods, obtaining a consistent view of structure and dynamics from experimental NMR data remains a challenge. Molecular dynamics simulations have emerged as an indispensable tool in the analysis of NMR data.

  5. Shielding structure analysis for LSDS facility

    Energy Technology Data Exchange (ETDEWEB)

    Choi, Hong Yeop; Kim, Jeong Dong; Lee, Yong Deok; Kim, Ho Dong [Korea Atomic Energy Research Institute, Daejeon (Korea, Republic of)

    2014-05-15

    The nuclear material (Pyro, Spent nuclear fuel) itself and the target material to generate neutrons is the LSDS system for isotopic fissile assay release of high intensity neutron and gamma rays. This research was performed to shield from various strong radiation. A shielding evaluation was carried out with a facilities model of LSDS system. The MCNPX 2.5 code was used and a shielding evaluation was performed for the shielding structure and location. The radiation dose based on the hole structure and location of the wall was evaluated. The shielding evaluation was performed to satisfy the safety standard for a normal person (1 μSv/h) and to use enough interior space. The MCNPX2.5 code was used and a dose evaluation was performed for the location of the shielding material, shielding structure, and hole structure. The evaluation result differs according to the shielding material location. The dose rate was small when the shielding material was positioned at the center. The dose evaluation result regarding the location of the shielding material was applied to the facility and the shielding thickness was determined (In 50 cm + Borax 5 cm + Out 45cm). In the existing hole structure, the radiation leak is higher than the standard. A hole structure model to prevent leakage of radiation was proposed. The general public dose limit was satisfied when using the concrete reinforcement and a zigzag structure. The shielding result will be of help to the facility shielding optimization.

  6. Concrete shielding for nuclear ship 'Mutsu'

    International Nuclear Information System (INIS)

    Nagase, Tetsuo; Saito, Tetsuo

    1983-01-01

    The repair works of the shielding for the nuclear ship ''Mutsu'' were completed in August, 1982. For the primary shielding, serpentine concrete was adopted as it contains a large quantity of water required for neutron shielding, and in the secondary shielding at the upper part of the reactor containment vessel, the original shielding was abolished, and the heavy concrete (high water content, high density concrete) which is effective for neutron and gamma-ray shielding was newly adopted. In this report, the design and construction using these shielding concrete are outlined. In September, 1974, Mutsu caused radiation leak during the test, and the cause was found to be the fast neutrons streaming through a gap between the reactor pressure vessel and the primary shielding. The repair works were carried out in the Sasebo Shipyard. The outline of the repair works of the shielding is described. The design condition for the shielding, the design standard for the radiation dose outside and inside the ship, the method of shielding analysis and the performance required for shielding concrete are reported. The selection of materials, the method of construction and mixing ratio, the evaluation of the soundness and properties of concrete, and the works of placing the shielding concrete are outlined. (Kako, I.)

  7. Shielding structure analysis for LSDS facility

    International Nuclear Information System (INIS)

    Choi, Hong Yeop; Kim, Jeong Dong; Lee, Yong Deok; Kim, Ho Dong

    2014-01-01

    The nuclear material (Pyro, Spent nuclear fuel) itself and the target material to generate neutrons is the LSDS system for isotopic fissile assay release of high intensity neutron and gamma rays. This research was performed to shield from various strong radiation. A shielding evaluation was carried out with a facilities model of LSDS system. The MCNPX 2.5 code was used and a shielding evaluation was performed for the shielding structure and location. The radiation dose based on the hole structure and location of the wall was evaluated. The shielding evaluation was performed to satisfy the safety standard for a normal person (1 μSv/h) and to use enough interior space. The MCNPX2.5 code was used and a dose evaluation was performed for the location of the shielding material, shielding structure, and hole structure. The evaluation result differs according to the shielding material location. The dose rate was small when the shielding material was positioned at the center. The dose evaluation result regarding the location of the shielding material was applied to the facility and the shielding thickness was determined (In 50 cm + Borax 5 cm + Out 45cm). In the existing hole structure, the radiation leak is higher than the standard. A hole structure model to prevent leakage of radiation was proposed. The general public dose limit was satisfied when using the concrete reinforcement and a zigzag structure. The shielding result will be of help to the facility shielding optimization

  8. Comparative analysis of the radiation shield effect in an abdominal CT scan

    International Nuclear Information System (INIS)

    Kim, Seon-Chil; Kim, Young-Jae; Lee, Joon-Seok; Dong, Kyung-Rae; Chung, Woon-Kwan; Lim, Chang-Seon

    2014-01-01

    This study measured and compared the dose on the eyeballs and the thyroid with and without the use of a shield by applying the abdominal examination protocol used in an actual examination to a 64-channel computed tomography (CT) scan. A dummy phantom manufactured from acryl was used to measure the dose to the eyeballs and the thyroid of a patient during a thoraco-abdominal CT scan. The dose was measured using three dosimeters (optically-stimulated luminescence dosimeter (OSLD), thermoluminescence dosimeter (TLD) and photoluminescence dosimeter (PLD)) attached to the surfaces of three parts (left and right eyeballs and thyroid) in a phantom with and without the use of a shield for the eyeballs and the thyroid. Two types of shields (1-mm barium shielding sheet and 1-mm tungsten shielding sheet) were used for the measurements. The goggles and the lead shield, which are normally used in clinical practice, were used to compare the shield ratios of the shields. According to the results of the measurements made by using the OSLD, the shield ratios of the barium and the tungsten sheets were in the range of 34 - 36%. The measurements made by using the TLD showed that the shield ratio of the barium sheet was 6.25% higher than that of the tungsten sheet. When the PLD was used for the measurement, the shield ratio of the barium sheet was 33.34%, which was equivalent to that of the tungsten sheet. These results confirmed that the cheap barium sheet had a better shielding effect than the expensive tungsten sheet.

  9. 13C NMR investigation of the structure of cationic carbonyls in transition metal zeolites

    International Nuclear Information System (INIS)

    Ben Taarit, Y.

    1979-01-01

    13 C NMR spectroscopy was used to investigate the nature of carbon monoxide adsorbed on transition metal ions hosted in a synthetic faujastite type zeolite. The adsorbed CO species was characterised by a highly shielded carbon nucleus. Using the Pople approximation for the paramagnetic shielding term, the observed chemical shift was rationalised assuming the formation of a cationic carbonyl species with an appreciable electronic transfer from the carbon lone pair to the transition metal ion and negligible π back-bonding if at all. (Auth.)

  10. MicroShield/ISOCS gamma modeling comparison.

    Energy Technology Data Exchange (ETDEWEB)

    Sansone, Kenneth R

    2013-08-01

    Quantitative radiological analysis attempts to determine the quantity of activity or concentration of specific radionuclide(s) in a sample. Based upon the certified standards that are used to calibrate gamma spectral detectors, geometric similarities between sample shape and the calibration standards determine if the analysis results developed are qualitative or quantitative. A sample analyzed that does not mimic a calibrated sample geometry must be reported as a non-standard geometry and thus the results are considered qualitative and not quantitative. MicroShieldR or ISOCSR calibration software can be used to model non-standard geometric sample shapes in an effort to obtain a quantitative analytical result. MicroShieldR and Canberras ISOCSR software contain several geometry templates that can provide accurate quantitative modeling for a variety of sample configurations. Included in the software are computational algorithms that are used to develop and calculate energy efficiency values for the modeled sample geometry which can then be used with conventional analysis methodology to calculate the result. The response of the analytical method and the sensitivity of the mechanical and electronic equipment to the radionuclide of interest must be calibrated, or standardized, using a calibrated radiological source that contains a known and certified amount of activity.

  11. Discussion on variance reduction technique for shielding

    Energy Technology Data Exchange (ETDEWEB)

    Maekawa, Fujio [Japan Atomic Energy Research Inst., Tokai, Ibaraki (Japan). Tokai Research Establishment

    1998-03-01

    As the task of the engineering design activity of the international thermonuclear fusion experimental reactor (ITER), on 316 type stainless steel (SS316) and the compound system of SS316 and water, the shielding experiment using the D-T neutron source of FNS in Japan Atomic Energy Research Institute has been carried out. However, in these analyses, enormous working time and computing time were required for determining the Weight Window parameter. Limitation or complication was felt when the variance reduction by Weight Window method of MCNP code was carried out. For the purpose of avoiding this difficulty, investigation was performed on the effectiveness of the variance reduction by cell importance method. The conditions of calculation in all cases are shown. As the results, the distribution of fractional standard deviation (FSD) related to neutrons and gamma-ray flux in the direction of shield depth is reported. There is the optimal importance change, and when importance was increased at the same rate as that of the attenuation of neutron or gamma-ray flux, the optimal variance reduction can be done. (K.I.)

  12. Method of constructing shielding wall

    International Nuclear Information System (INIS)

    Nagao, Tetsuya.

    1990-01-01

    For instance, surfaces of lead particles each formed into a sphere of about 0.5 to 0.3 mm grain size are coated with a coating material of a synthetic resin comprising a polymeric material such as teflon. Subsequently, the floated lead particle are kneaded with concrete materials and then poured into a molding die by way of a hose. After coagulation, the molding die is removed to complete shielding walls in which lead particles are scattered substantially at an equal distance. In this way, since the lead particles are mixed into the shielding walls, shielding effects can be improved by so much as the lead particles are mixed, thereby enabling to reduce the thickness of the shielding walls. Further, since the lead particles are coated with the coating material, the lead particles are insulated from the concrete materials, thereby enabling to prevent the corrosion of the lead particles. Furthermore, since the lead particles and the concrete materials can be transported with ease, operation labors can be reduced. (T.M.)

  13. Shielding Effectiveness of a Thin Film Window

    National Research Council Canada - National Science Library

    Johnson, Eric

    1998-01-01

    .... The predicted shielding effectiveness was 29 dB based on theoretical calculations. The error analysis of the shielding effectiveness showed that this predicted value was within the measurement error...

  14. Gonadal Shielding in Radiography: A Best Practice?

    Science.gov (United States)

    Fauber, Terri L

    2016-11-01

    To investigate radiation dose to phantom testes with and without shielding. A male anthropomorphic pelvis phantom was imaged with thermoluminescent dosimeters (TLDs) placed in the right and left detector holes corresponding to the testes. Ten exposures were made of the pelvis with and without shielding. The exposed TLDs were packaged securely and mailed to the University of Wisconsin Calibration Laboratory for reading and analysis. A t test was calculated for the 2 exposure groups (no shield and shielded) and found to be significant, F = 8.306, P shield was used during pelvic imaging. Using a flat contact shield during imaging of the adult male pelvis significantly reduces radiation dose to the testes. Regardless of the contradictions in the literature on gonadal shielding, the routine practice of shielding adult male gonads during radiographic imaging of the pelvis is a best practice. © 2016 American Society of Radiologic Technologists.

  15. Using glass as a shielding material

    International Nuclear Information System (INIS)

    Yousef, S.

    2002-04-01

    Different theoretical and technological concepts and problems in using glass as a shielding material was discussed, some primarily designs for different types of radiation shielding windows were illustrated. (author)

  16. Using glass as a shielding material

    International Nuclear Information System (INIS)

    Yousef, S.

    2003-01-01

    Different theoretical and technological concepts and problems in using glass as a shielding material was discussed, some primarily designs for different types of radiation shielding windows were illustrated. (author)

  17. Shielding and grounding in large detectors

    International Nuclear Information System (INIS)

    Radeka, V.

    1998-09-01

    Prevention of electromagnetic interference (EMI), or ''noise pickup,'' is an important design aspect in large detectors in accelerator environments. Shielding effectiveness as a function of shield thickness and conductivity vs the type and frequency of the interference field is described. Noise induced in transmission lines by ground loop driven currents in the shield is evaluated and the importance of low shield resistance is emphasized. Some measures for prevention of ground loops and isolation of detector-readout systems are discussed

  18. Analysis of the JASPER Program Radial Shield Attenuation Experiment

    Energy Technology Data Exchange (ETDEWEB)

    Slater, C.O.

    1993-01-01

    The results of the analysis of the JASPER Program Radial Shield Attenuation Experiment are presented. The experiment was performed in 1986 at the ORNL Tower Shielding Facility. It is the first of six experiments in this cooperative Japanese and American program in support of shielding designs for advanced sodium-cooled reactors. Six different shielding configurations and subconfigurations thereof were studied. The configurations were calculated with the DOT-IV two-dimensional discrete ordinates radiation transport computer code using the R-Z geometry option, a symmetric S{sub 12} quadrature (96 directions), and cross sections from ENDF/B versions IV and V in either a 51- or 61-group structure. Auxiliary codes were used to compute detector responses and prepare cross sections and source input for the DOT-IV calculations. Calculated detector responses were compared with measured responses and the agreement was good to excellent in many cases. However, the agreement for configurations having thick steel or B{sub 4}C regions or for some very large configurations was fair to poor. The disagreement was attributed to cross-section data, broad-group structure, or high background in the measurements. In particular, it is shown that two cross-section sets for ``B give very different results for neutron transmission through the thick B{sub 4}C regions used in one set of experimental configurations. Implications for design calculations are given.

  19. NMR spectroscopy and drug development

    International Nuclear Information System (INIS)

    Craik, D.; Munro, S.

    1990-01-01

    The use of nuclear magnetic resonance (NMR) spectroscopy for structural and conformational studies on drug molecules, the three-dimensional investigation of proteins structure and their interactions with ligands are discussed. In-vivo NMR studies of the effects of drugs on metabolism in perfused organs and whole animals are also briefly presented. 5 refs., ills

  20. NMR in pulsed magnetic field

    KAUST Repository

    Abou-Hamad, Edy; Bontemps, P.; Rikken, Geert L J A

    2011-01-01

    Nuclear magnetic resonance (NMR) experiments in pulsed magnetic fields up to 30.4 T focused on 1H and 93Nb nuclei are reported. Here we discuss the advantage and limitation of pulsed field NMR and why this technique is able to become a promising research tool. © 2011 Elsevier Inc. All Rights Reserved.

  1. NMR imaging of osteoarticular pathology

    International Nuclear Information System (INIS)

    Frocrain, L.; Duvauferrier, R.; Gagey, N.

    1987-01-01

    NMR imaging is assuming an increasingly important role in the diagnosis of osteo-articular disorders. Semiological descriptions of the mean pathological disorders of the locomotor system are presented. Some investigation strategies are proposed to compare NMR imaging with other imaging techniques in various pathological states [fr

  2. Nuclear magnetic resonance (NMR) tomography

    International Nuclear Information System (INIS)

    Skalpe, I.O.

    1984-01-01

    A brief survey of the working principle of the NMR technique in diagnostical medicine is given. Its clinical usefulness for locating tumors, diagnosing various other diseases, such as some mental illnesses and multiple sclerosis, and its possibilities for studying biochemical processes in vivo are mentioned. The price of NMR image scanners and the problems of the strong magnetic field around the machines are mentioned

  3. NMR imaging studies of coal

    Energy Technology Data Exchange (ETDEWEB)

    Ma, Z.R.; Zhang, P.Z.; Ding, G.L.; Li, L.Y.; Ye, C.H. [University of Science and Technology, Beijing (China). Dept. of Chemistry

    1996-06-01

    The permeation transportation and swelling behavior of solvents into coal are investigated by NMR imaging using pyridine-d{sub 5} and acetone-d{sub 6}. Images of coal swollen with deuterated solvents illuminate proton distributions of mobile phases within the coal macromolecular networks. More information about the chemical and physical structure of coal can be obtained using NMR imaging techniques.

  4. NMR in pulsed magnetic field

    KAUST Repository

    Abou-Hamad, Edy

    2011-09-01

    Nuclear magnetic resonance (NMR) experiments in pulsed magnetic fields up to 30.4 T focused on 1H and 93Nb nuclei are reported. Here we discuss the advantage and limitation of pulsed field NMR and why this technique is able to become a promising research tool. © 2011 Elsevier Inc. All Rights Reserved.

  5. COMPUTING

    CERN Multimedia

    M. Kasemann

    Overview In autumn the main focus was to process and handle CRAFT data and to perform the Summer08 MC production. The operational aspects were well covered by regular Computing Shifts, experts on duty and Computing Run Coordination. At the Computing Resource Board (CRB) in October a model to account for service work at Tier 2s was approved. The computing resources for 2009 were reviewed for presentation at the C-RRB. The quarterly resource monitoring is continuing. Facilities/Infrastructure operations Operations during CRAFT data taking ran fine. This proved to be a very valuable experience for T0 workflows and operations. The transfers of custodial data to most T1s went smoothly. A first round of reprocessing started at the Tier-1 centers end of November; it will take about two weeks. The Computing Shifts procedure was tested full scale during this period and proved to be very efficient: 30 Computing Shifts Persons (CSP) and 10 Computing Resources Coordinators (CRC). The shift program for the shut down w...

  6. Gamma ray shielding: a web based interactive program

    International Nuclear Information System (INIS)

    Subbaiah, K.V.; Senthi Kumar, C.; Sarangapani, R.

    2005-01-01

    A web based interactive computing program is developed using java for quick assessment of Gamma Ray shielding problems. The program addresses usually encountered source geometries like POINT, LINE, CYLINDRICAL, ANNULAR, SPHERICAL, BOX, followed by 'SLAB' shield configurations. The calculation is based on point kernel technique. The source points are randomly sampled within the source volume. From each source point, optical path traversed in the source and shield media up to the detector location is estimated to calculate geometrical and material attenuations, and then corresponding buildup factor is obtained, which accounts for scattered contribution. Finally, the dose rate for entire source is obtained by summing over all sampled points. The application allows the user to select one of the seven regular geometrical bodies and provision exist to give source details such as emission energies, intensities, physical dimensions and material composition. Similar provision is provided to specify shield slab details. To aid the user, atomic numbers, densities, standard build factor materials and isotope list with respective emission energies and intensity for ready reference are given in dropdown combo boxes. Typical results obtained from this program are validated against existing point kernel gamma ray shielding codes. Additional facility is provided to compute fission product gamma ray source strengths based on the fuel type, burn up and cooling time. Plots of Fission product gamma ray source strengths, Gamma ray cross-sections and buildup factors can be optionally obtained, which enable the user to draw inference on the computed results. It is expected that this tool will be handy to all health physicists and radiological safety officers as it will be available on the internet. (author)

  7. Pretinning Nickel-Plated Wire Shields

    Science.gov (United States)

    Igawa, J. A.

    1985-01-01

    Nickel-plated copper shielding for wires pretinned for subsequent soldering with help of activated rosin flux. Shield cut at point 0.25 to 0.375 in. (6 to 10 mm) from cut end of outer jacket. Loosened end of shield straightened and pulled toward cut end. Insulation of inner wires kept intact during pretinning.

  8. Effects of stress-shielding on the dynamic viscoelasticity and ordering of the collagen fibers in rabbit Achilles tendon.

    Science.gov (United States)

    Ikoma, Kazuya; Kido, Masamitsu; Nagae, Masateru; Ikeda, Takumi; Shirai, Toshiharu; Ueshima, Keiichiro; Arai, Yuji; Oda, Ryo; Fujiwara, Hiroyoshi; Kubo, Toshikazu

    2013-11-01

    We investigated the effects of stress-shielding on both viscoelastic properties and microstructure of collagen fibers in the Achilles tendon by proton double-quantum filtered ((1) H-DQF) NMR spectroscopy. The right hind-limbs of 20 Japanese white rabbits were immobilized for 4 weeks in a cast with the ankle in plantarflexion. Dynamic viscoelasticity of the Achilles tendons was measured using a viscoelastic spectrometer. Proton DQF NMR signals were analyzed to determine the residual dipolar coupling of bound water molecules in the Achilles tendons. Both the dynamic storage modulus (E') and dynamic loss modulus (E″) decreased significantly in the Achilles tendons of the stress-shielding group. The results of the (1) H-DQF NMR examination demonstrated significantly reduced residual dipolar coupling in the Achilles tendons of this same group. The disorientation of collagen fibers by stress-shielding should contribute to degradation of the dynamic storage and loss moduli. The alterations of the collagen fiber orientation that contributed to the function of tendinous tissue can be evaluated by performing an analysis of (1) H DQF NMR spectroscopy. © 2013 Orthopaedic Research Society.

  9. Structural Biology: Practical NMR Applications

    CERN Document Server

    Teng, Quincy

    2005-01-01

    This textbook begins with an overview of NMR development and applications in biological systems. It describes recent developments in instrument hardware and methodology. Chapters highlight the scope and limitation of NMR methods. While detailed math and quantum mechanics dealing with NMR theory have been addressed in several well-known NMR volumes, chapter two of this volume illustrates the fundamental principles and concepts of NMR spectroscopy in a more descriptive manner. Topics such as instrument setup, data acquisition, and data processing using a variety of offline software are discussed. Chapters further discuss several routine stategies for preparing samples, especially for macromolecules and complexes. The target market for such a volume includes researchers in the field of biochemistry, chemistry, structural biology and biophysics.

  10. Fundamentals of Protein NMR Spectroscopy

    CERN Document Server

    Rule, Gordon S

    2006-01-01

    NMR spectroscopy has proven to be a powerful technique to study the structure and dynamics of biological macromolecules. Fundamentals of Protein NMR Spectroscopy is a comprehensive textbook that guides the reader from a basic understanding of the phenomenological properties of magnetic resonance to the application and interpretation of modern multi-dimensional NMR experiments on 15N/13C-labeled proteins. Beginning with elementary quantum mechanics, a set of practical rules is presented and used to describe many commonly employed multi-dimensional, multi-nuclear NMR pulse sequences. A modular analysis of NMR pulse sequence building blocks also provides a basis for understanding and developing novel pulse programs. This text not only covers topics from chemical shift assignment to protein structure refinement, as well as the analysis of protein dynamics and chemical kinetics, but also provides a practical guide to many aspects of modern spectrometer hardware, sample preparation, experimental set-up, and data pr...

  11. BRH Gonad Shielding Program: where it has led

    International Nuclear Information System (INIS)

    Arcarese, J.S.

    1975-01-01

    Some topics discussed are: Bureau of Radiological Health guidelines; types of gonad shields; specific area shielding; gonad shielding guidelines; and publication of pamphlet on types of shields and circumstances under which they should be used

  12. COMPUTING

    CERN Multimedia

    I. Fisk

    2011-01-01

    Introduction CMS distributed computing system performed well during the 2011 start-up. The events in 2011 have more pile-up and are more complex than last year; this results in longer reconstruction times and harder events to simulate. Significant increases in computing capacity were delivered in April for all computing tiers, and the utilisation and load is close to the planning predictions. All computing centre tiers performed their expected functionalities. Heavy-Ion Programme The CMS Heavy-Ion Programme had a very strong showing at the Quark Matter conference. A large number of analyses were shown. The dedicated heavy-ion reconstruction facility at the Vanderbilt Tier-2 is still involved in some commissioning activities, but is available for processing and analysis. Facilities and Infrastructure Operations Facility and Infrastructure operations have been active with operations and several important deployment tasks. Facilities participated in the testing and deployment of WMAgent and WorkQueue+Request...

  13. COMPUTING

    CERN Multimedia

    P. McBride

    The Computing Project is preparing for a busy year where the primary emphasis of the project moves towards steady operations. Following the very successful completion of Computing Software and Analysis challenge, CSA06, last fall, we have reorganized and established four groups in computing area: Commissioning, User Support, Facility/Infrastructure Operations and Data Operations. These groups work closely together with groups from the Offline Project in planning for data processing and operations. Monte Carlo production has continued since CSA06, with about 30M events produced each month to be used for HLT studies and physics validation. Monte Carlo production will continue throughout the year in the preparation of large samples for physics and detector studies ramping to 50 M events/month for CSA07. Commissioning of the full CMS computing system is a major goal for 2007. Site monitoring is an important commissioning component and work is ongoing to devise CMS specific tests to be included in Service Availa...

  14. COMPUTING

    CERN Multimedia

    M. Kasemann

    Overview During the past three months activities were focused on data operations, testing and re-enforcing shift and operational procedures for data production and transfer, MC production and on user support. Planning of the computing resources in view of the new LHC calendar in ongoing. Two new task forces were created for supporting the integration work: Site Commissioning, which develops tools helping distributed sites to monitor job and data workflows, and Analysis Support, collecting the user experience and feedback during analysis activities and developing tools to increase efficiency. The development plan for DMWM for 2009/2011 was developed at the beginning of the year, based on the requirements from the Physics, Computing and Offline groups (see Offline section). The Computing management meeting at FermiLab on February 19th and 20th was an excellent opportunity discussing the impact and for addressing issues and solutions to the main challenges facing CMS computing. The lack of manpower is particul...

  15. Survivor shielding. Part A. Nagasaki factory worker shielding

    International Nuclear Information System (INIS)

    Santoro, Robert T.; Barnes, John M.; Azmy, Yousry Y.; Kerr, George D.; Egbert, Stephen D.; Cullings, Harry M.

    2005-01-01

    Recent investigations based on conventional chromosome aberration data by the RERF suggest that the DS86 doses received by many Nagasaki factory workers may have been overestimated by as much as 40% relative to those for other survivors in Japanese-type houses and other shielding configurations (Kodama et al. 2001). Since the factory workers represent about 25% of the Nagasaki survivors with DS86 doses in excess of 0.5 Gy (50 rad), systematic errors in their dose estimates can have a major impact on the risk coefficients from RERF studies. The factory worker doses may have been overestimated for a number of reasons. The calculation techniques, including the factory building modeling, weapon source spectra and cross-section data used in the DS86 shielding calculations were not detailed enough to replicate actual conditions. The models used did not take into account local shielding provided by machinery, tools, and the internal structure in the buildings. In addition, changes in the disposition of shielding following collapse of the building by the blast wave were not considered. The location of large factory complexes may be uncertain, causing large numbers of factory survivors, correctly located relative to each other, to be uniformly too close to the hypocenter. Any or all of these reasons are sufficient to result in an overestimate of the factory worker doses. During the DS02 studies, factory worker doses have been reassessed by more carefully modeling the factory buildings, incorporating improved radiation transport methods and cross-section data and using the most recent bomb leakage spectra (Chapter 2). Two-dimensional discrete ordinates calculations were carried out initially to estimate the effects of workbenches and tools on worker doses to determine if the inclusion of these components would, in fact, reduce the dose by amounts consistent with the RERF observations (Kodama et al. 2001). (author)

  16. Thermal-hydraulic analysis and design improvement for coolant channel of ITER shield block

    International Nuclear Information System (INIS)

    Zhao Ling; Li Huaqi; Zheng Jiantao; Yi Jingwei; Kang Weishan; Chen Jiming

    2013-01-01

    As an important part for ITER, shield block is used to shield the neutron heat. The structure design of shield block, especially the inner coolant channel design will influence its cooling effect and safety significantly. In this study, the thermal-hydraulic analysis for shield block has been performed by the computational fluid dynamics software, some optimization suggestions have been proposed and thermal-hydraulic characteristics of the improved model has been analyzed again. The analysis results for improved model show that pressure drop through flow path near the inlet and outlet region of the shield block has been reduced, and the total pressure drop in cooling path has been reduced too; the uniformity of the mass flowrate distribution and the velocity distribution have been improved in main cooling branches; the local highest temperature of solid domain reduced considerably, which could avoid thermal stress becoming too large because of coolant effect unevenly. (authors)

  17. An assessment of the lifetime of Faraday shield elements

    International Nuclear Information System (INIS)

    Caughman, J.B.O. II; Ruzic, D.N.; Hoffman, D.J.; Langley, R.A.; Lewis, M.B.; Ryan, P.M.

    1989-01-01

    The interaction of plasma with rf fields from an ion cyclotron range of frequencies (ICRF) antenna has been studied to estimate the amount of Faraday shield erosion expected in normal ICRF heating (ICRH) operation. Plasma parameters and ion energies have been measured in the near field of an antenna and used in a model to estimate the erosion rate of the Faraday shield surface. Experiments were conducted on the RF Test Facility (RFTF), a magnetic mirror device at Oak Ridge National Laboratory (ORNL), using a single-strap resonant loop antenna with a two-tier Faraday shield. The outer tier, facing the plasma, was layered with graphite tiles. The antenna was operated at currents and voltages (∼500 A, ∼20 kV at 25 kW) within 50% of those expected in tokamaks. The time varying floating potential was measured with a capacitively coupled probe, and the time-averaged floating potential, electron temperature, and electron density were measured with a Langmuir probe. Both probes were scanned in front of the antenna. Ion energies were measured with a gridded energy analyzer located below the antenna, and samples of silicon were placed on the Faraday shield surface to estimate the incident ion energy. The capacitive probe measurements show that the rf floating potential follows the magnetic field pattern of the antenna, indicating that the electromagnetic fields are responsible for the potential formation. Plasma parameters and ion energies have been correlated with the antenna current and used in s computational model of the plasma sheath to predict the amount of erosion expected from the Faraday shield elements exposed to plasma. Predictions of light ion sputtering of candidate Faraday shield materials are presented. 19 refs., 6 figs., 1 tab

  18. An assessment of the lifetime of Faraday shield elements

    International Nuclear Information System (INIS)

    Caughman, J.B.O. II; Ruzic, D.N.; Hoffman, D.J.; Langley, R.A.; Lewis, M.B.; Ryan, P.M.

    1990-01-01

    The interaction of plasma with rf fields from an ion cyclotron range of frequencies (ICRF) antenna has been studied to estimate the amount of Faraday shield erosion expected in normal ICRF heating operation. Plasma parameters and ion energies have been measured in the near field of an antenna and used in a model to estimate the erosion rate of the Faraday shield surface. Experiments were conducted on the RF Test Facility, a magnetic mirror device at Oak Ridge National Laboratory, using a single-strap resonant loop antenna with a two-tier Faraday shield. The outer tier, facing the plasma, was layered with graphite tiles. The antenna was operated at currents and voltages within 50% of those expected in tokamaks. The time-varying floating potential was measured with a capacitively coupled probe, and the time-averaged floating potential, electron temperature, and electron density were measured with a Langmuir probe. Ion energies were measured with a gridded energy analyser located below the antenna, and samples of silicon were placed on the Faraday shield surface to estimate the incident ion energy. The capacitive probe measurements show that the rf floating potential follows the magnetic field pattern of the antenna, indicating that the electromagnetic fields are responsible for the potential formation. Plasma parameters and ion energies have been correlated with the antenna current and used in a computational model of the plasma sheath to predict the amount of erosion expected from the Faraday shield elements exposed to plasma. Predictions of light ion sputtering of candidate Faraday shield materials are presented

  19. Carbon-13 isotope effects on 199Hg nuclear shielding

    International Nuclear Information System (INIS)

    Sebald, Angelika; Wrackmeyer, Bernd

    1985-01-01

    Secondary 13 C/ 12 C isotope effects on 199 Hg nuclear shielding (Δdeltasup(i)( 199 Hg)) are of interest because of the unusual shift to high frequency which has been observed for a few alkyl mercury compounds. Continuing interest in the NMR parameters of mercury compounds prompted a search for the values Δdeltasup(i)( 199 Hg) in a greater variety of organomercurials. This should help to find out about the range of Δdeltasup(i)( 199 Hg) and to obtain a firmer basis for the discussion of the high-frequency shifts. The data and experimental conditions are given for chemical shifts delta 199 Hg, coupling constants sup(n)J( 199 Hg 13 C) and 13 C/ 12 C isotope shifts Δdeltasup(i)( 199 Hg) of fourteen 199 Hg organomercury compounds. The results are discussed. (author)

  20. Analytic Shielding Optimization to Reduce Crew Exposure to Ionizing Radiation Inside Space Vehicles

    Science.gov (United States)

    Gaza, Razvan; Cooper, Tim P.; Hanzo, Arthur; Hussein, Hesham; Jarvis, Kandy S.; Kimble, Ryan; Lee, Kerry T.; Patel, Chirag; Reddell, Brandon D.; Stoffle, Nicholas; hide

    2009-01-01

    A sustainable lunar architecture provides capabilities for leveraging out-of-service components for alternate uses. Discarded architecture elements may be used to provide ionizing radiation shielding to the crew habitat in case of a Solar Particle Event. The specific location relative to the vehicle where the additional shielding mass is placed, as corroborated with particularities of the vehicle design, has a large influence on protection gain. This effect is caused by the exponential- like decrease of radiation exposure with shielding mass thickness, which in turn determines that the most benefit from a given amount of shielding mass is obtained by placing it so that it preferentially augments protection in under-shielded areas of the vehicle exposed to the radiation environment. A novel analytic technique to derive an optimal shielding configuration was developed by Lockheed Martin during Design Analysis Cycle 3 (DAC-3) of the Orion Crew Exploration Vehicle (CEV). [1] Based on a detailed Computer Aided Design (CAD) model of the vehicle including a specific crew positioning scenario, a set of under-shielded vehicle regions can be identified as candidates for placement of additional shielding. Analytic tools are available to allow capturing an idealized supplemental shielding distribution in the CAD environment, which in turn is used as a reference for deriving a realistic shielding configuration from available vehicle components. While the analysis referenced in this communication applies particularly to the Orion vehicle, the general method can be applied to a large range of space exploration vehicles, including but not limited to lunar and Mars architecture components. In addition, the method can be immediately applied for optimization of radiation shielding provided to sensitive electronic components.

  1. Experimental shielding evaluation of the radiation protection provided by the structurally significant components of residential structures.

    Science.gov (United States)

    Dickson, E D; Hamby, D M

    2014-03-01

    The human health and environmental effects following a postulated accidental release of radioactive material to the environment have been a public and regulatory concern since the early development of nuclear technology. These postulated releases have been researched extensively to better understand the potential risks for accident mitigation and emergency planning purposes. The objective of this investigation is to provide an updated technical basis for contemporary building shielding factors for the US housing stock. Building shielding factors quantify the protection from ionising radiation provided by a certain building type. Much of the current data used to determine the quality of shielding around nuclear facilities and urban environments is based on simplistic point-kernel calculations for 1950s era suburbia and is no longer applicable to the densely populated urban environments realised today. To analyse a building's radiation shielding properties, the ideal approach would be to subject a variety of building types to various radioactive sources and measure the radiation levels in and around the building. While this is not entirely practicable, this research analyses the shielding effectiveness of ten structurally significant US housing-stock models (walls and roofs) important for shielding against ionising radiation. The experimental data are used to benchmark computational models to calculate the shielding effectiveness of various building configurations under investigation from two types of realistic environmental source terms. Various combinations of these ten shielding models can be used to develop full-scale computational housing-unit models for building shielding factor calculations representing 69.6 million housing units (61.3%) in the United States. Results produced in this investigation provide a comparison between theory and experiment behind building shielding factor methodology.

  2. Experimental shielding evaluation of the radiation protection provided by the structurally significant components of residential structures

    International Nuclear Information System (INIS)

    Dickson, E D; Hamby, D M

    2014-01-01

    The human health and environmental effects following a postulated accidental release of radioactive material to the environment have been a public and regulatory concern since the early development of nuclear technology. These postulated releases have been researched extensively to better understand the potential risks for accident mitigation and emergency planning purposes. The objective of this investigation is to provide an updated technical basis for contemporary building shielding factors for the US housing stock. Building shielding factors quantify the protection from ionising radiation provided by a certain building type. Much of the current data used to determine the quality of shielding around nuclear facilities and urban environments is based on simplistic point-kernel calculations for 1950s era suburbia and is no longer applicable to the densely populated urban environments realised today. To analyse a building’s radiation shielding properties, the ideal approach would be to subject a variety of building types to various radioactive sources and measure the radiation levels in and around the building. While this is not entirely practicable, this research analyses the shielding effectiveness of ten structurally significant US housing-stock models (walls and roofs) important for shielding against ionising radiation. The experimental data are used to benchmark computational models to calculate the shielding effectiveness of various building configurations under investigation from two types of realistic environmental source terms. Various combinations of these ten shielding models can be used to develop full-scale computational housing-unit models for building shielding factor calculations representing 69.6 million housing units (61.3%) in the United States. Results produced in this investigation provide a comparison between theory and experiment behind building shielding factor methodology. (paper)

  3. A practical neutron shielding design based on data-base interpolation

    International Nuclear Information System (INIS)

    Jiang, S.H.; Sheu, R.J.

    1993-01-01

    Neutron shielding design is an important part of the construction of nuclear reactors and high-energy accelerators. Neutron shielding design is also indispensable in the packaging and storage of isotopic neutron sources. Most efforts in the development of neutron shielding design have been concentrated on nuclear reactor shielding because of its huge mass and strict requirement of accuracy. Sophisticated computational tools, such as transport and Monte Carlo codes and detailed data libraries have been developed. In principle, now, neutron shielding, in spite of its complexity, can be designed in any detail and with fine accuracy. However, in most practical cases, neutron shielding design is accomplished with simplified methods. Unlike practical gamma-ray shielding design, where exponential attenuation coupled with buildup factors has been applied effectively and accurately, simplified neutron shielding design, either by using removal cross sections or by applying charts or tables of transmission factors such as the National Council on Radiation Protection and Measurements (NCRP) 38 (Ref. 1) for general neutron protection or to NCRP 51 (Ref. 2) for accelerator neutron shielding, is still very primitive and not well established. The available data are limited in energy range, materials, and thicknesses, and the estimated results are only roughly accurate. It is the purpose of this work to establish a simple, convenient, and user-friendly general-purpose computational tool for practical preliminary neutron shielding design that is reasonably accurate. A wide-range (energy, material, and thickness) data base of dose transmission factors has been generated by applying one-dimensional transport calculations in slab geometry

  4. COMPUTING

    CERN Multimedia

    I. Fisk

    2013-01-01

    Computing activity had ramped down after the completion of the reprocessing of the 2012 data and parked data, but is increasing with new simulation samples for analysis and upgrade studies. Much of the Computing effort is currently involved in activities to improve the computing system in preparation for 2015. Operations Office Since the beginning of 2013, the Computing Operations team successfully re-processed the 2012 data in record time, not only by using opportunistic resources like the San Diego Supercomputer Center which was accessible, to re-process the primary datasets HTMHT and MultiJet in Run2012D much earlier than planned. The Heavy-Ion data-taking period was successfully concluded in February collecting almost 500 T. Figure 3: Number of events per month (data) In LS1, our emphasis is to increase efficiency and flexibility of the infrastructure and operation. Computing Operations is working on separating disk and tape at the Tier-1 sites and the full implementation of the xrootd federation ...

  5. New facility shield design criteria

    International Nuclear Information System (INIS)

    Howell, W.P.

    1981-07-01

    The purpose of the criteria presented here is to provide standard guidance for the design of nuclear radiation shields thoughout new facilities. These criteria are required to assure a consistent and integrated design that can be operated safely and economically within the DOE standards. The scope of this report is confined to the consideration of radiation shielding for contained sources. The whole body dose limit established by the DOE applies to all doses which are generally distributed throughout the trunk of the body. Therefore, where the whole body is the critical organ for an internally deposited radionuclide, the whole body dose limit applies to the sum of doses received must assure control of the concentration of radionuclides in the building atmosphere and thereby limit the dose from internal sources

  6. INERT GAS SHIELD FOR WELDING

    Science.gov (United States)

    Jones, S.O.; Daly, F.V.

    1958-10-14

    S>An inert gas shield is presented for arc-welding materials such as zirconium that tend to oxidize rapidly in air. The device comprises a rectangular metal box into which the welding electrode is introduced through a rubber diaphragm to provide flexibility. The front of the box is provided with a wlndow having a small hole through which flller metal is introduced. The box is supplied with an inert gas to exclude the atmosphere, and with cooling water to promote the solidification of the weld while in tbe inert atmosphere. A separate water-cooled copper backing bar is provided underneath the joint to be welded to contain the melt-through at the root of the joint, shielding the root of the joint with its own supply of inert gas and cooling the deposited weld metal. This device facilitates the welding of large workpieces of zirconium frequently encountered in reactor construction.

  7. Facility target insert shielding assessment

    Energy Technology Data Exchange (ETDEWEB)

    Mocko, Michal [Los Alamos National Lab. (LANL), Los Alamos, NM (United States)

    2015-10-06

    Main objective of this report is to assess the basic shielding requirements for the vertical target insert and retrieval port. We used the baseline design for the vertical target insert in our calculations. The insert sits in the 12”-diameter cylindrical shaft extending from the service alley in the top floor of the facility all the way down to the target location. The target retrieval mechanism is a long rod with the target assembly attached and running the entire length of the vertical shaft. The insert also houses the helium cooling supply and return lines each with 2” diameter. In the present study we focused on calculating the neutron and photon dose rate fields on top of the target insert/retrieval mechanism in the service alley. Additionally, we studied a few prototypical configurations of the shielding layers in the vertical insert as well as on the top.

  8. Transient shielded liquid hydrogen containers

    International Nuclear Information System (INIS)

    Varghese, A.P.; Herring, R.H.

    1990-01-01

    The storage of hydrogen in the liquid phase has been limited in duration due to the thermal performance constraints of conventional Liquid Hydrogen containers available. Conventional Liquid Hydrogen containers lose hydrogen because of their relatively high heat leak and variations in usage pattern of hydrogen due to shutdowns. Local regulations also discourage venting of hydrogen. Long term storage of Liquid Hydrogen without product loss was usually accomplished using Liquid Nitrogen sacrificial shields. This paper reports on a new low heat leak container developed and patented that will extend the storage time of liquid hydrogen by five hundred percent. The principle of operation of the Transient Shields which makes the extraordinary performance of this container feasible is described in this paper. Also covered are the impact of this new container on present applications of hydrogen and the new opportunities afforded to Liquid hydrogen in the world hydrogen market

  9. Radiation-shielding transparent material

    International Nuclear Information System (INIS)

    Kusumeki, Asao.

    1983-01-01

    Purpose : To obtain radiation-shielding transparent material having a high resistivity to the radioactive rays or light irradiation which is greater at least by two digits as compared with lead glass. Constitution : The shielding material is composed of a saturated aqueous solution zinc iodide. Zinc iodide (specific gravity of 4.2) is dissolved by 430 g into 100 cc of water at a temperature of 20 0 C and forms a heavy liquid with a specific gravity of 2.80. The radiation length of the heavy liquid is 3.8 cm which is 1.5 times as large as lead glass. The light transmission is greater than 95% in average. Furthermore, by adding hypophosphorous acid as a reducing agent to the aqueous solution of the lead iodide, the material is stabilized against the irradiation of light or radioactive rays and causes no discoloration for a long time. (Moriyama, K.)

  10. Radiation shield vest and skirt

    International Nuclear Information System (INIS)

    Maine, G.J.

    1982-01-01

    A two-piece garment is described which provides shielding for female workers exposed to radiation. The upper part is a vest, overlapping and secured in the front by adjustable closures. The bottom part is a wraparound skirt, also secured by adjustable closures. The two parts overlap, thus providing continuous protection from shoulder to knee and ensuring that the back part of the body is protected as well as the front

  11. Handbook of radiation shielding data

    International Nuclear Information System (INIS)

    Courtney, J.C.

    1976-07-01

    This handbook is a compilation of data on units, conversion factors, geometric considerations, sources of radiation, and the attenuation of photons, neutrons, and charged particles. It also includes related topics in health physics. Data are presented in tabular and graphical form with sufficient narrative for a least first-approximation solutions to a variety of problems in nuclear radiation protection. Members of the radiation shielding community contributed the information in this document from unclassified and uncopyrighted sources, as referenced

  12. Shielding proposal to reduce cross-talk from ITER lower port to equatorial port

    Energy Technology Data Exchange (ETDEWEB)

    Juarez, Rafael, E-mail: rjuarez@ind.uned.es [Departamento de Ingeniería Energética, ETSII-UNED, Calle Juan del Rosal 12, Madrid 28040 (Spain); Pampin, Raul [F4E, Torres Diagonal Litoral B3, Josep Pla 2, Barcelona 08019 (Spain); Levesy, Bruno [ITER Organization, 13115 Route de Vinon sur Verdon, St Paul Lez Durance (France); Moro, Fabio [ENEA, Via Enrico Fermi 45, Frascati, Rome (Italy); Suarez, Alejandro [ITER Organization, 13115 Route de Vinon sur Verdon, St Paul Lez Durance (France); Catalan, J.P.; Sanz, Javier [Departamento de Ingeniería Energética, ETSII-UNED, Calle Juan del Rosal 12, Madrid 28040 (Spain)

    2015-12-15

    Radiation cross-talk from Torus Cryopump LP to EP was found to be a phenomenon driving Shutdown Dose Rates at EP Port Interspace after 12 days of cooling time, as relevant as neutron permeation through EP itself. In this work three different shields are proposed to mitigate the radiation cross-talk: two neutron shields placed inside LP, and a temporary gamma shield placed at EP PI during maintenance activities. Contributions from different reactor regions to Shutdown Dose Rates are computed, for the unshielded design, as long as the different shielded cases. The Rigorous-Two-Steps (R2S) method was used. The neutron shields inside TCP-LP are found to reduce SDR at EP PI 43 μSv/h and 99 μSv/h, while the gamma shield inside EP PI offers a reduction of 157 μSv/h in its heaviest configuration. Among these relevant reductions, the gamma shield inside the EP PI offers the best shielding option, as it reduces gamma cross-talk from TCP-LP and also protects EP PI from Port Duct and EP bellows activation, while it does not interfere with TCP performance.

  13. Shielding wall for thermonuclear device

    International Nuclear Information System (INIS)

    Uchida, Takaho.

    1989-01-01

    This invention concerns shielding walls opposing to plasmas of a thermonuclear device and it is an object thereof to conduct reactor operation with no troubles even if a portion of shielding wall tiles should be damaged. That is, the shielding wall tiles are constituted as a dual layer structure in which the lower base tiles are connected by means of bolts to first walls. Further, the upper surface tiles are bolt-connected to the layer base tiles. In this structure, the plasma thermal loads are directly received by the surface layer tiles and heat is conducted by means of conduction and radiation to the underlying base tiles and the first walls. Even upon occurrence of destruction accidents to the surface layer tiles caused by incident heat or electromagnetic force upon elimination of plasmas, since the underlying base tiles remain as they are, the first walls constituted with stainless steels, etc. are not directly exposed to the plasmas. Accordingly, the integrity of the first walls having cooling channels can be maintained and sputtering intrusion of atoms of high atom number into the plasmas can be prevented. (I.S.)

  14. Design of ITER shielding blanket

    International Nuclear Information System (INIS)

    Furuya, Kazuyuki; Sato, Satoshi; Hatano, Toshihisa; Tokami, Ikuhide; Kitamura, Kazunori; Miura, Hidenori; Ito, Yutaka; Kuroda, Toshimasa; Takatsu, Hideyuki

    1997-05-01

    A mechanical configuration of ITER integrated primary first wall/shield blanket module were developed focusing on the welded attachment of its support leg to the back plate. A 100 mm x 150 mm space between the legs of adjacent modules was incorporated for the working space of welding/cutting tools. A concept of coolant branch pipe connection to accommodate deformation due to the leg welding and differential displacement of the module and the manifold/back plate during operation was introduced. Two-dimensional FEM analyses showed that thermal stresses in Cu-alloy (first wall) and stainless steel (first wall coolant tube and shield block) satisfied the stress criteria following ASME code for ITER BPP operation. On the other hand, three-dimensional FEM analyses for overall in-vessel structures exhibited excessive primary stresses in the back plate and its support structure to the vacuum vessel under VDE disruption load and marginal stresses in the support leg of module No.4. Fabrication procedure of the integrated primary first wall/shield blanket module was developed based on single step solid HIP for the joining of Cu-alloy/Cu-alloy, Cu-alloy/stainless steel, and stainless steel/stainless steel. (author)

  15. Photonic Bandgap (PBG) Shielding Technology

    Science.gov (United States)

    Bastin, Gary L.

    2007-01-01

    Photonic Bandgap (PBG) shielding technology is a new approach to designing electromagnetic shielding materials for mitigating Electromagnetic Interference (EM!) with small, light-weight shielding materials. It focuses on ground planes of printed wiring boards (PWBs), rather than on components. Modem PSG materials also are emerging based on planar materials, in place of earlier, bulkier, 3-dimensional PBG structures. Planar PBG designs especially show great promise in mitigating and suppressing EMI and crosstalk for aerospace designs, such as needed for NASA's Constellation Program, for returning humans to the moon and for use by our first human visitors traveling to and from Mars. Photonic Bandgap (PBG) materials are also known as artificial dielectrics, meta-materials, and photonic crystals. General PBG materials are fundamentally periodic slow-wave structures in I, 2, or 3 dimensions. By adjusting the choice of structure periodicities in terms of size and recurring structure spacings, multiple scatterings of surface waves can be created that act as a forbidden energy gap (i.e., a range of frequencies) over which nominally-conductive metallic conductors cease to be a conductor and become dielectrics. Equivalently, PBG materials can be regarded as giving rise to forbidden energy gaps in metals without chemical doping, analogous to electron bandgap properties that previously gave rise to the modem semiconductor industry 60 years ago. Electromagnetic waves cannot propagate over bandgap regions that are created with PBG materials, that is, over frequencies for which a bandgap is artificially created through introducing periodic defects

  16. Reactor vessel head permanent shield

    International Nuclear Information System (INIS)

    Hankinson, M.F.; Leduc, R.J.; Richard, J.W.; Malandra, L.J.

    1989-01-01

    A nuclear reactor is described comprising: a nuclear reactor pressure vessel closure head; control rod drive mechanisms (CRDMs) disposed within the closure head so as to project vertically above the closure head; cooling air baffle means surrounding the control rod drive mechanisms for defining cooling air paths relative to the control rod drive mechanisms; means defined within the periphery of the closure head for accommodating fastening means for securing the closure head to its associated pressure vessel; lifting lugs fixedly secured to the closure head for facilitating lifting and lowering movements of the closure head relative to the pressure vessel; lift rods respectively operatively associated with the plurality of lifting lugs for transmitting load forces, developed during the lifting and lowering movements of the closure head, to the lifting lugs; upstanding radiation shield means interposed between the cooling air baffle means and the periphery of the enclosure head of shielding maintenance personnel operatively working upon the closure head fastening means from the effects of radiation which may emanate from the control rod drive mechanisms and the cooling air baffle means; and connecting systems respectively associated with each one of the lifting lugs and each one of the lifting rods for connecting each one of the lifting rods to a respective one of each one of the lifting lugs, and for simultaneously connecting a lower end portion of the upstanding radiation shield means to each one of the respective lifting lugs

  17. ATLAS Award for Shield Supplier

    CERN Multimedia

    2004-01-01

    ATLAS technical coordinator Dr. Marzio Nessi presents the ATLAS supplier award to Vojtech Novotny, Director General of Skoda Hute.On 3 November, the ATLAS experiment honoured one of its suppliers, Skoda Hute s.r.o., of Plzen, Czech Republic, for their work on the detector's forward shielding elements. These huge and very massive cylinders surround the beampipe at either end of the detector to block stray particles from interfering with the ATLAS's muon chambers. For the shields, Skoda Hute produced 10 cast iron pieces with a total weight of 780 tonnes at a cost of 1.4 million CHF. Although there are many iron foundries in the CERN member states, there are only a limited number that can produce castings of the necessary size: the large pieces range in weight from 59 to 89 tonnes and are up to 1.5 metres thick.The forward shielding was designed by the ATLAS Technical Coordination in close collaboration with the ATLAS groups from the Czech Technical University and Charles University in Prague. The Czech groups a...

  18. Quantum Devices Bonded Beneath a Superconducting Shield: Part 2

    Science.gov (United States)

    McRae, Corey Rae; Abdallah, Adel; Bejanin, Jeremy; Earnest, Carolyn; McConkey, Thomas; Pagel, Zachary; Mariantoni, Matteo

    The next-generation quantum computer will rely on physical quantum bits (qubits) organized into arrays to form error-robust logical qubits. In the superconducting quantum circuit implementation, this architecture will require the use of larger and larger chip sizes. In order for on-chip superconducting quantum computers to be scalable, various issues found in large chips must be addressed, including the suppression of box modes (due to the sample holder) and the suppression of slot modes (due to fractured ground planes). By bonding a metallized shield layer over a superconducting circuit using thin-film indium as a bonding agent, we have demonstrated proof of concept of an extensible circuit architecture that holds the key to the suppression of spurious modes. Microwave characterization of shielded transmission lines and measurement of superconducting resonators were compared to identical unshielded devices. The elimination of box modes was investigated, as well as bond characteristics including bond homogeneity and the presence of a superconducting connection.

  19. Anisotropic Pressure, Transport, and Shielding of Magnetic Perturbations

    International Nuclear Information System (INIS)

    Mynick, H.E.; Boozer, A.H.

    2008-01-01

    We compute the effect on a tokamak of applying a nonaxisymmetric magnetic perturbation (delta)B. An equilibrium with scalar pressure p yields zero net radial current, and therefore zero torque. Thus, the usual approach, which assumes scalar pressure, is not self-consistent, and masks the close connection which exists between that radial current and the in-surface currents, which provide shielding or amplification of (delta)B. Here, we analytically compute the pressure anisotropy, anisotropy, p # parallel#, p # perpendicular# and ≠ p, and from this, both the radial and in-surface currents. The surface-average of the radial current recovers earlier expressions for ripple transport, while the in-surface currents provide an expression for the amount of self-consistent shielding the plasma provides.

  20. NMR-based milk metabolomics

    DEFF Research Database (Denmark)

    Sundekilde, Ulrik; Larsen, Lotte Bach; Bertram, Hanne Christine S.

    2013-01-01

    and processing capabilities of bovine milk is closely associated to milk composition. Metabolomics is ideal in the study of the low-molecular-weight compounds in milk, and this review focuses on the recent nuclear magnetic resonance (NMR)-based metabolomics trends in milk research, including applications linking...... compounds. Furthermore, metabolomics applications elucidating how the differential regulated genes affects milk composition are also reported. This review will highlight the recent advances in NMR-based metabolomics on milk, as well as give a brief summary of when NMR spectroscopy can be useful for gaining...

  1. NMR detects molecular interactions of graphene with aromatic and aliphatic hydrocarbons in water

    Science.gov (United States)

    Bichenkova, Elena V.; Raju, Arun P. A.; Burusco, Kepa K.; Kinloch, Ian A.; Novoselov, Kostya S.; Clarke, David J.

    2018-03-01

    Polyaromatic carbon is widely held to be strongly diamagnetic and hydrophobic, with textbook van der Waals and ‘π-stacked’ binding of hydrocarbons, which disrupt their self-assembled supramolecular structures. The NMR of organic molecules sequestered by polyaromatic carbon is expected to be dominated by shielding from the orbital diamagnetism of π electrons. We report the first evidence of very different polar and magnetic behavior in water, wherein graphene remained well-dispersed after extensive dialysis and behaved as a 1H-NMR-silent ghost. Magnetic effects dominated the NMR of organic structures which interacted with graphene, with changes in spin-spin coupling, vast increase in relaxation, line broadening and decrease in NMR peak heights when bound to graphene. However, the interactions were weak, reversible and did not disrupt organic self-assemblies reliant on hydrophobic ‘π-stacking’, even when substantially sequestered on the surface of graphene by the high surface area available. Interacting assemblies of aromatic molecules retained their strongly-shielded NMR signals and remained within self-assembled structures, with slower rates of diffusion from association with graphene, but with no further shielding from graphene. Binding to graphene was selective for positively-charged organic assemblies, weaker for non-aromatic and negligible for strongly-negatively-charged molecules, presumably repelled by a negative zeta potential of graphene in water. Stronger binders, or considerable excess of weaker binders readily reversed physisorption, with no evidence of structural changes from chemisorption. The fundamental nature of these different electronic interactions between organic and polyaromatic carbon is considered with relevance to electronics, charge storage, sensor, medical, pharmaceutical and environmental research.

  2. COMPUTING

    CERN Multimedia

    I. Fisk

    2010-01-01

    Introduction It has been a very active quarter in Computing with interesting progress in all areas. The activity level at the computing facilities, driven by both organised processing from data operations and user analysis, has been steadily increasing. The large-scale production of simulated events that has been progressing throughout the fall is wrapping-up and reprocessing with pile-up will continue. A large reprocessing of all the proton-proton data has just been released and another will follow shortly. The number of analysis jobs by users each day, that was already hitting the computing model expectations at the time of ICHEP, is now 33% higher. We are expecting a busy holiday break to ensure samples are ready in time for the winter conferences. Heavy Ion An activity that is still in progress is computing for the heavy-ion program. The heavy-ion events are collected without zero suppression, so the event size is much large at roughly 11 MB per event of RAW. The central collisions are more complex and...

  3. COMPUTING

    CERN Multimedia

    M. Kasemann P. McBride Edited by M-C. Sawley with contributions from: P. Kreuzer D. Bonacorsi S. Belforte F. Wuerthwein L. Bauerdick K. Lassila-Perini M-C. Sawley

    Introduction More than seventy CMS collaborators attended the Computing and Offline Workshop in San Diego, California, April 20-24th to discuss the state of readiness of software and computing for collisions. Focus and priority were given to preparations for data taking and providing room for ample dialog between groups involved in Commissioning, Data Operations, Analysis and MC Production. Throughout the workshop, aspects of software, operating procedures and issues addressing all parts of the computing model were discussed. Plans for the CMS participation in STEP’09, the combined scale testing for all four experiments due in June 2009, were refined. The article in CMS Times by Frank Wuerthwein gave a good recap of the highly collaborative atmosphere of the workshop. Many thanks to UCSD and to the organizers for taking care of this workshop, which resulted in a long list of action items and was definitely a success. A considerable amount of effort and care is invested in the estimate of the comput...

  4. SHREDI, Neutron Flux and Neutron Activation in 2-D Shields by Removal Diffusion

    International Nuclear Information System (INIS)

    Daneri, A.; Toselli, G.

    1976-01-01

    1 - Nature of physical problem solved: SHREDI is a removal - diffusion neutron shielding code. The program computes neutron fluxes and activations in bidimensional sections (x,y or r,z) of the shield. It is also possible to consider shielding points with the same y or z coordinate (mono-dimensional problems). 2 - Method of solution: The integrals which define the removal fluxes are computed in some shield points by means of a particular algorithm based on the Simpson's and trapezoidal rules. For the diffusion calculation the finite difference method is used. The removal sources are interpolated in all diffusion points by Chebyshev polynomials. 3 - Restrictions on the complexity of the problem: Maxima: number of removal energy groups NGR = 40; number of diffusion energy groups NGD = 40; number of the reactor core and shield materials NCMP = 50; number of core mesh points in r (or x) direction for integral calculation = 75; number of core mesh points in z (or y) direction for integral calculation = 75; number of core mesh points in theta (or z) direction for integral calculation = 75; number of shield mesh points for the neutron flux calculation in r (or x) direction NPX = 200; number of shield mesh points for the neutron flux calculation in z (or y) direction NPY = 200; n.b. (NPX * NPY) le 12000

  5. Radiation shielding properties of a novel cement–basalt mixture for nuclear energy applications

    Energy Technology Data Exchange (ETDEWEB)

    Ipbüker, Cagatay; Nulk, Helena; Gulik, Volodymyr [University of Tartu, Institute of Physics (Estonia); Biland, Alex [HHK Technologies, Houston (United States); Tkaczyk, Alan Henry, E-mail: alan@ut.ee [University of Tartu, Institute of Physics (Estonia)

    2015-04-01

    Highlights: • Basalt fiber is a relatively cheap material that can be used as reinforcement. • Gamma-ray attenuation remains relatively stable with addition of basalt fiber. • Neutron attenuation remains relatively stable with addition of basalt fiber. • Cement–basalt mixture has a good potential for use in nuclear energy applications. - Abstract: The radiation shielding properties of a new proposed building material, a novel cement–basalt fiber mixture (CBM), are investigated. The authors analyze the possibility of this material to be a viable substitute to outgoing materials in nuclear energy applications, which will lead to a further sustained development of nuclear energy in the future. This computational study involves four types of concrete with various amounts of basalt fiber in them. The gamma-ray shielding characteristics of proposed CBM material are investigated with the help of WinXCom program, whereas the neutron shielding characteristics are computed by the Serpent code. For gamma-ray shielding, we find that the attenuation coefficients of concretes with basalt fibers are not notably influenced by the addition of fibers. For neutron shielding, additional basalt fiber in mixture presents negligible effect on neutron radiation shielding. With respect to radiation shielding, it can be concluded that basalt fibers have good potential as an addition to heavyweight concrete for nuclear energy applications.

  6. Radiation shielding properties of a novel cement–basalt mixture for nuclear energy applications

    International Nuclear Information System (INIS)

    Ipbüker, Cagatay; Nulk, Helena; Gulik, Volodymyr; Biland, Alex; Tkaczyk, Alan Henry

    2015-01-01

    Highlights: • Basalt fiber is a relatively cheap material that can be used as reinforcement. • Gamma-ray attenuation remains relatively stable with addition of basalt fiber. • Neutron attenuation remains relatively stable with addition of basalt fiber. • Cement–basalt mixture has a good potential for use in nuclear energy applications. - Abstract: The radiation shielding properties of a new proposed building material, a novel cement–basalt fiber mixture (CBM), are investigated. The authors analyze the possibility of this material to be a viable substitute to outgoing materials in nuclear energy applications, which will lead to a further sustained development of nuclear energy in the future. This computational study involves four types of concrete with various amounts of basalt fiber in them. The gamma-ray shielding characteristics of proposed CBM material are investigated with the help of WinXCom program, whereas the neutron shielding characteristics are computed by the Serpent code. For gamma-ray shielding, we find that the attenuation coefficients of concretes with basalt fibers are not notably influenced by the addition of fibers. For neutron shielding, additional basalt fiber in mixture presents negligible effect on neutron radiation shielding. With respect to radiation shielding, it can be concluded that basalt fibers have good potential as an addition to heavyweight concrete for nuclear energy applications

  7. Comparison of MCNP4C and experimental results on neutron and gamma ray shielding effects for materials

    Energy Technology Data Exchange (ETDEWEB)

    Cha, Kyoon Ho; Lee, Eun Ki [KEPRI, Taejon (Korea, Republic of)

    2004-07-01

    MCNP code is a general-purpose Monte Carlo radiation transport code that can numerically simulate neutron, photon, and electron transport. Increasing the speed of computing machine is making numerical transport simulation more attractive and has led to the widespread use of such code. This code can be used for general radiation shielding and criticality accident alarm system related dose calculations, so that the version 4C2 of this code was used to evaluate the shielding effect against neutron and gamma ray experiments. The Ueki experiments were used for neutron shielding effects for materials, and the Kansas State University (KSU) photon skyshine experiments of 1977 were tested for gamma ray shielding effects.

  8. Dynamics in photosynthetic transient complexes studied by paramagnetic NMR spectroscopy

    NARCIS (Netherlands)

    Scanu, Sandra

    2013-01-01

    This PhD thesis focuses on fundamental aspects of protein-protein interactions. A multidisciplinary methodology for the detection and visualization of transient, lowly-populated encounter protein complexes is described. The new methodology combined paramagnetic NMR spectroscopy with computational

  9. Shielding of a neutron irradiator with {sup 241}Am-Be source

    Energy Technology Data Exchange (ETDEWEB)

    Oliveira, K.A.M. de; Crispim, V.R.; Silva, A.X., E-mail: koliveira@con.ufrj.b, E-mail: verginia@con.ufrj.b, E-mail: ademir@con.ufrj.b [Universidade Federal do Rio de Janeiro (PEN/COPPE/UFRJ), RJ (Brazil). Coordenacao dos Programas de Pos-Graduacao de Engenharia. Programa de Engenharia Nuclear; Fonseca, E.S., E-mail: evaldo@ird.gov.b [Instituto de Radioprotecao e Dosimetria (IRD/CNEN-RJ), Rio de Janeiro, RJ (Brazil)

    2011-07-01

    The equivalent dose rates at 1.0 cm from the outer surface of the shielding of a neutron irradiation system that uses {sup 241}Am-Be source with activity of 185 GBq (5 Ci) were determined. A theoretical-experimental approach including case studies, through computer simulations with MCNP code was employed to calculate the best shielding thickness. Following the construction of the neutron irradiator, dose measurements were conducted in order to validate data obtained from simulation. The neutron irradiator shielding was designed in such a way to allow transport of the neutron radiography system for in loco inspections ensuring workers' radiologic safety. (author)

  10. 3D Space Radiation Transport in a Shielded ICRU Tissue Sphere

    Science.gov (United States)

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

    2014-01-01

    A computationally efficient 3DHZETRN code capable of simulating High Charge (Z) and Energy (HZE) and light ions (including neutrons) under space-like boundary conditions with enhanced neutron and light ion propagation was recently developed for a simple homogeneous shield object. Monte Carlo benchmarks were used to verify the methodology in slab and spherical geometry, and the 3D corrections were shown to provide significant improvement over the straight-ahead approximation in some cases. In the present report, the new algorithms with well-defined convergence criteria are extended to inhomogeneous media within a shielded tissue slab and a shielded tissue sphere and tested against Monte Carlo simulation to verify the solution methods. The 3D corrections are again found to more accurately describe the neutron and light ion fluence spectra as compared to the straight-ahead approximation. These computationally efficient methods provide a basis for software capable of space shield analysis and optimization.

  11. 17O NMR parameters of some substituted benzyl ethers components: Ab initio study

    Directory of Open Access Journals (Sweden)

    Mahdi Rezaei Sameti

    2016-09-01

    Full Text Available The 17O NMR chemical shielding tensors and chemical shift for a set of substituted benzyl ethers derivatives containing (methyl, ethyl, isopropyl, t-butyl, brome and lithium have been calculated. The molecular structures were fully optimized using B3LYP/6-31G(d,p. The calculation of the 17O shielding tensors employed the GAUSSIAN 98 implementation of the gauge-including atomic orbital (GIAO and continuous set of gauge transformations (CSGT by using 6-31G (d,p, 6-31++G(d,p and 6-311++G(d,p basis set methods at density functional levels of theories (DFT. The values determined using the GIAO and CSGT were found to give a good agreement with the experimental chemical shielding.

  12. Theoretical and experimental NMR studies on muscimol from fly agaric mushroom (Amanita muscaria)

    Science.gov (United States)

    Kupka, Teobald; Wieczorek, Piotr P.

    2016-01-01

    In this article we report results of combined theoretical and experimental NMR studies on muscimol, the bioactive alkaloid from fly agaric mushroom (Amanita muscaria). The assignment of 1H and 13C NMR spectra of muscimol in DMSO-d6 was supported by additional two-dimensional heteronuclear correlated spectra (2D NMR) and gauge independent atomic orbital (GIAO) NMR calculations using density functional theory (DFT). The effect of solvent in theoretical calculations was included via polarized continuum model (PCM) and the hybrid three-parameter B3LYP density functional in combination with 6-311++G(3df,2pd) basis set enabled calculation of reliable structures of non-ionized (neutral) molecule and its NH and zwitterionic forms in the gas phase, chloroform, DMSO and water. GIAO NMR calculations, using equilibrium and rovibrationally averaged geometry, at B3LYP/6-31G* and B3LYP/aug-cc-pVTZ-J levels of theory provided muscimol nuclear magnetic shieldings. The theoretical proton and carbon chemical shifts were critically compared with experimental NMR spectra measured in DMSO. Our results provide useful information on its structure in solution. We believe that such data could improve the understanding of basic features of muscimol at atomistic level and provide another tool in studies related to GABA analogs.

  13. Radiation shielding properties of high performance concrete reinforced with basalt fibers infused with natural and enriched boron

    Energy Technology Data Exchange (ETDEWEB)

    Zorla, Eyüp; Ipbüker, Cagatay [University of Tartu, Institute of Physics (Estonia); Biland, Alex [US Basalt Corp., Houston (United States); Kiisk, Madis [University of Tartu, Institute of Physics (Estonia); Kovaljov, Sergei [OÜ Basaltest, Tartu (Estonia); Tkaczyk, Alan H. [University of Tartu, Institute of Physics (Estonia); Gulik, Volodymyr, E-mail: volodymyr.gulik@gmail.com [Institute for Safety Problems of Nuclear Power Plants, Lysogirska 12, of. 201, 03028 Kyiv (Ukraine)

    2017-03-15

    Highlights: • Basalt fiber infused with natural and enriched boron in varying proportions. • Gamma-ray attenuation remains stable with addition of basalt-boron fiber. • Improvement in neutron shielding for nuclear facilities producing fast fission spectrum. • Basalt-boron fiber could decrease the shielding thickness in thermal spectrum reactors. - Abstract: The importance of radiation shielding is increasing in parallel with the expansion of the application areas of nuclear technologies. This study investigates the radiation shielding properties of two types of high strength concrete reinforced with basalt fibers infused with 12–20% boron oxide, containing varying fractions of natural and enriched boron. The gamma-ray shielding characteristics are analyzed with the help of the WinXCom, whereas the neutron shielding characteristics are modeled and computed by Monte Carlo Serpent code. For gamma-ray shielding, the attenuation coefficients of the studied samples do not display any significant variation due to the addition of basalt-boron fibers at any mixing proportion. For neutron shielding, the addition of basalt-boron fiber has negligible effects in the case of very fast neutrons (14 MeV), but it could considerably improve the neutron shielding of concrete for nuclear facilities producing a fast fission spectrum (e.g. with reactors as BN-800, FBTR) and thermal neutron spectrum (Light Water Reactors (LWR)). It was also found that basalt-boron fiber could decrease the thickness of radiation shielding material in thermal spectrum reactors.

  14. Radiation shielding properties of high performance concrete reinforced with basalt fibers infused with natural and enriched boron

    International Nuclear Information System (INIS)

    Zorla, Eyüp; Ipbüker, Cagatay; Biland, Alex; Kiisk, Madis; Kovaljov, Sergei; Tkaczyk, Alan H.; Gulik, Volodymyr

    2017-01-01

    Highlights: • Basalt fiber infused with natural and enriched boron in varying proportions. • Gamma-ray attenuation remains stable with addition of basalt-boron fiber. • Improvement in neutron shielding for nuclear facilities producing fast fission spectrum. • Basalt-boron fiber could decrease the shielding thickness in thermal spectrum reactors. - Abstract: The importance of radiation shielding is increasing in parallel with the expansion of the application areas of nuclear technologies. This study investigates the radiation shielding properties of two types of high strength concrete reinforced with basalt fibers infused with 12–20% boron oxide, containing varying fractions of natural and enriched boron. The gamma-ray shielding characteristics are analyzed with the help of the WinXCom, whereas the neutron shielding characteristics are modeled and computed by Monte Carlo Serpent code. For gamma-ray shielding, the attenuation coefficients of the studied samples do not display any significant variation due to the addition of basalt-boron fibers at any mixing proportion. For neutron shielding, the addition of basalt-boron fiber has negligible effects in the case of very fast neutrons (14 MeV), but it could considerably improve the neutron shielding of concrete for nuclear facilities producing a fast fission spectrum (e.g. with reactors as BN-800, FBTR) and thermal neutron spectrum (Light Water Reactors (LWR)). It was also found that basalt-boron fiber could decrease the thickness of radiation shielding material in thermal spectrum reactors.

  15. β-NMR sample optimization

    CERN Document Server

    Zakoucka, Eva

    2013-01-01

    During my summer student programme I was working on sample optimization for a new β-NMR project at the ISOLDE facility. The β-NMR technique is well-established in solid-state physics and just recently it is being introduced for applications in biochemistry and life sciences. The β-NMR collaboration will be applying for beam time to the INTC committee in September for three nuclei: Cu, Zn and Mg. Sample optimization for Mg was already performed last year during the summer student programme. Therefore sample optimization for Cu and Zn had to be completed as well for the project proposal. My part in the project was to perform thorough literature research on techniques studying Cu and Zn complexes in native conditions, search for relevant binding candidates for Cu and Zn applicable for ß-NMR and eventually evaluate selected binding candidates using UV-VIS spectrometry.

  16. NMR Studies of Polymer Nanocomposites

    National Research Council Canada - National Science Library

    Greenbaum, Steve

    2001-01-01

    .... The primary tool is pulsed field gradient NMR. A static field gradient method was developed which makes possible variable pressure diffusion measurement, and the application to the important fuel cell membrane NAFION constitute the first results...

  17. Spectroscopic (FT-IR, FT-Raman, UV, 1H and 13C NMR insights, electronic profiling and DFT computations on ({(E-[3-(1H-imidazol-1-yl-1-phenylpropylidene] amino}oxy(4-nitrophenylmethanone, an imidazole-bearing anti-Candida agent

    Directory of Open Access Journals (Sweden)

    Al-Wahaibi Lamya H.

    2018-02-01

    Full Text Available The anti-Candida agent, ({(E-[3-(1H-imidazol-1-yl-1-phenylpropylidene]amnio}oxy(4-nitropheny methanone (IPAONM, was subjected to comprehensive spectroscopic (FT-IR, FT-Raman, UV–Vis 1H and 13C NMR characterization as well as Hartree Fock and density functional theory computation studies. The selected optimized geometric bond lengths and bond angles of the IPAONM molecule were compared with the experimental values. The calculated wavenumbers have been scaled and compared with the experimental spectra. Mulliken charges and natural bond orbital analysis of the title molecule were calculated and interpreted. The energy and oscillator strengths of the IPAONM molecule were calculated by time-dependent density functional theory (TD-DFT. In addition, frontier molecular orbitals and molecular electrostatic potential diagram of the title compound were computed and analyzed. A study on the electronic properties, such as HOMO, HOMO-1, LUMO and LUMO+1 energies was carried out using TD-DFT approach. The 1H and 13C NMR chemical shift values of the title compound were calculated by the gauge independent atomic orbital method and compared with the experimental results.

  18. Concrete shielding for nuclear ship 'Mutsu'

    International Nuclear Information System (INIS)

    Nagase, Tetsuo; Nakajima, Tadao; Okumura, Tadahiko; Saito, Tetsuo

    1983-01-01

    The nuclear ship ''Mutsu'' was constructed in 1970 as the fourth in the world. On September 1, 1974, during the power raising test in the Pacific Ocean, radiation leak was detected. As the result of investigation, it was found that the cause was the fast neutrons streaming through the gap between the reactor pressure vessel and the primary shield. In order to repair the shielding facility, the Japan Nuclear Ship Research Development Agency carried out research and development and shielding design. It was decided to adopt serpentine concrete for the primary shield, which is the excellent moderator of fast neutrons even at high temperature, and heavy concrete for the secondary shield, which is effective for shielding both gamma ray and neutron beam. The repair of shielding was carried out in the Sasebo Shipyard, and completed in August, 1982. The outline of the repair work is reported. The weight increase was about 300 t. The conditions of the shielding design, the method of shielding analysis, the performance required for the shielding concrete, the preliminary experiment on heavy concrete and the construction works of serpentine concrete and heavy concrete are described. (Kako, I.)

  19. Interpretations of NMR images

    International Nuclear Information System (INIS)

    Shi, J.Z.; McFarland, W.D.; Chen, S.S.; Sadhu, V.K.

    1986-01-01

    Two color display schemes are generally considered in medical images: pseudo-color and color composite. Psuedo-color technique maps the intensity means of a single monochrome image into a three dimensional color space, the gray level is thus replaced by the assigned color. Such a psuedo-color assignment is somewhat arbitrary but may be advantageous if the monochrome image is composed of simple intensity patterns. A good example of psuedo-color application is in nuclear medicine: The change of gray levels can be simply determined and the isocounts from two regions with different surroundings can be readily recognized. However, the use of psuedo-color in CT or MR imaging is controversial because it does not give additional information and may exaggerate insignificant gray scale differences. The color composite technique maps three parametric image data into a three dimensional color space, and thus three monochrome images are merged to form a single color image. The color composite technique increases the number of ways information can be displayed and provides both quantitative and qualitative data about the object or event represented. This paper describes the application of color composite in NMR images

  20. COMPUTING

    CERN Multimedia

    P. McBride

    It has been a very active year for the computing project with strong contributions from members of the global community. The project has focused on site preparation and Monte Carlo production. The operations group has begun processing data from P5 as part of the global data commissioning. Improvements in transfer rates and site availability have been seen as computing sites across the globe prepare for large scale production and analysis as part of CSA07. Preparations for the upcoming Computing Software and Analysis Challenge CSA07 are progressing. Ian Fisk and Neil Geddes have been appointed as coordinators for the challenge. CSA07 will include production tests of the Tier-0 production system, reprocessing at the Tier-1 sites and Monte Carlo production at the Tier-2 sites. At the same time there will be a large analysis exercise at the Tier-2 centres. Pre-production simulation of the Monte Carlo events for the challenge is beginning. Scale tests of the Tier-0 will begin in mid-July and the challenge it...