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)

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 ...

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.

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...

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.

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

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.

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

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.

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.

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)

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.

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)

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.

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

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.

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.

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

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

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

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.

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.

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

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.

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.

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

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)

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

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

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)

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

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

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)

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.

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)

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)

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...

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

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.

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.

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

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)

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

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

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.

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.

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)

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...

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

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

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.

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)

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.)

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.

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)

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

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.

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

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)

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

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

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)

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)

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

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.

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)

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

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]...

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.

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

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

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.

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.

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.)

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.

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...

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...

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.

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.)

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

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

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

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

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

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.)

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)

Relativistic Spin-Orbit Heavy Atom on the Light Atom NMR Chemical Shifts: General Trends Across the Periodic Table Explained.

Science.gov (United States)

Vícha, Jan; Komorovsky, Stanislav; Repisky, Michal; Marek, Radek; Straka, Michal

2018-05-10

The importance of relativistic effects on the NMR parameters in heavy-atom (HA) compounds, particularly the SO-HALA (Spin-Orbit Heavy Atom on the Light Atom) effect on NMR chemical shifts, has been known for about 40 years. Yet, a general correlation between the electronic structure and SO-HALA effect has been missing. By analyzing 1 H NMR chemical shifts of the sixth-period hydrides (Cs-At), we discovered general electronic-structure principles and mechanisms that dictate the size and sign of the SO-HALA NMR chemical shifts. In brief, partially occupied HA valence shells induce relativistic shielding at the light atom (LA) nuclei, while empty HA valence shells induce relativistic deshielding. In particular, the LA nucleus is relativistically shielded in 5d 2 -5d 8 and 6p 4 HA hydrides and deshielded in 4f 0 , 5d 0 , 6s 0 , and 6p 0 HA hydrides. This general and intuitive concept explains periodic trends in the 1 H NMR chemical shifts along the sixth-period hydrides (Cs-At) studied in this work. We present substantial evidence that the introduced principles have a general validity across the periodic table and can be extended to nonhydride LAs. The decades-old question of why compounds with occupied frontier π molecular orbitals (MOs) cause SO-HALA shielding at the LA nuclei, while the frontier σ MOs cause deshielding is answered. We further derive connection between the SO-HALA NMR chemical shifts and Spin-Orbit-induced Electron Deformation Density (SO-EDD), a property that can be obtained easily from differential electron densities and can be represented graphically. SO-EDD provides an intuitive understanding of the SO-HALA effect in terms of the depletion/concentration of the electron density at LA nuclei caused by spin-orbit coupling due to HA in the presence of a magnetic field. Using an analogy between the SO-EDD concept and arguments from classic NMR theory, the complex question of the SO-HALA NMR chemical shifts becomes easily understandable for a wide

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

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

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

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 ...

Relativistic heavy-atom effects on heavy-atom nuclear shieldings

Science.gov (United States)

Lantto, Perttu; Romero, Rodolfo H.; Gómez, Sergio S.; Aucar, Gustavo A.; Vaara, Juha

2006-11-01

The principal relativistic heavy-atom effects on the nuclear magnetic resonance (NMR) shielding tensor of the heavy atom itself (HAHA effects) are calculated using ab initio methods at the level of the Breit-Pauli Hamiltonian. This is the first systematic study of the main HAHA effects on nuclear shielding and chemical shift by perturbational relativistic approach. The dependence of the HAHA effects on the chemical environment of the heavy atom is investigated for the closed-shell X2+, X4+, XH2, and XH3- (X =Si-Pb) as well as X3+, XH3, and XF3 (X =P-Bi) systems. Fully relativistic Dirac-Hartree-Fock calculations are carried out for comparison. It is necessary in the Breit-Pauli approach to include the second-order magnetic-field-dependent spin-orbit (SO) shielding contribution as it is the larger SO term in XH3-, XH3, and XF3, and is equally large in XH2 as the conventional, third-order field-independent spin-orbit contribution. Considering the chemical shift, the third-order SO mechanism contributes two-thirds of the difference of ˜1500ppm between BiH3 and BiF3. The second-order SO mechanism and the numerically largest relativistic effect, which arises from the cross-term contribution of the Fermi contact hyperfine interaction and the relativistically modified spin-Zeeman interaction (FC/SZ-KE), are isotropic and practically independent of electron correlation effects as well as the chemical environment of the heavy atom. The third-order SO terms depend on these factors and contribute both to heavy-atom shielding anisotropy and NMR chemical shifts. While a qualitative picture of heavy-atom chemical shifts is already obtained at the nonrelativistic level of theory, reliable shifts may be expected after including the third-order SO contributions only, especially when calculations are carried out at correlated level. The FC/SZ-KE contribution to shielding is almost completely produced in the s orbitals of the heavy atom, with values diminishing with the principal

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.

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.

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)

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)

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)

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)

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

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

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)

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.

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.)

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

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.

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.

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.

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

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.

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

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

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.

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

NMR at earth's magnetic field using para-hydrogen induced polarization.

Science.gov (United States)

Hamans, Bob C; Andreychenko, Anna; Heerschap, Arend; Wijmenga, Sybren S; Tessari, Marco

2011-09-01

A method to achieve NMR of dilute samples in the earth's magnetic field by applying para-hydrogen induced polarization is presented. Maximum achievable polarization enhancements were calculated by numerically simulating the experiment and compared to the experimental results and to the thermal equilibrium in the earth's magnetic field. Simultaneous 19F and 1H NMR detection on a sub-milliliter sample of a fluorinated alkyne at millimolar concentration (∼10(18) nuclear spins) was realized with just one single scan. A highly resolved spectrum with a signal/noise ratio higher than 50:1 was obtained without using an auxiliary magnet or any form of radio frequency shielding. Copyright © 2011 Elsevier Inc. All rights reserved.

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.

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.

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)

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...

Modifier cation effects on (29)Si nuclear shielding anisotropies in silicate glasses.

Science.gov (United States)

Baltisberger, Jay H; Florian, Pierre; Keeler, Eric G; Phyo, Pyae A; Sanders, Kevin J; Grandinetti, Philip J

2016-07-01

We have examined variations in the (29)Si nuclear shielding tensor parameters of SiO4 tetrahedra in a series of seven alkali and alkaline earth silicate glass compositions, Cs2O·4.81 SiO2, Rb2O·3.96 SiO2, Rb2O·2.25 SiO2, K2O·4.48 SiO2, Na2O·4.74 SiO2, BaO·2.64 SiO2, and SrO·2.36 SiO2, using natural abundance (29)Si two-dimensional magic-angle flipping (MAF) experiments. Our analyses of these 2D spectra reveal a linear dependence of the (29)Si nuclear shielding anisotropy of Q((3)) sites on the Si-non-bridging oxygen bond length, which in turn depends on the cation potential and coordination of modifier cations to the non-bridging oxygen. We also demonstrate how a combination of Cu(2+) as a paramagnetic dopant combined with echo train acquisition can reduce the total experiment time of (29)Si 2D NMR measurements by two orders of magnitude, enabling higher throughput 2D NMR studies of glass structure. Copyright © 2016 Elsevier Inc. All rights reserved.

Modifier cation effects on 29Si nuclear shielding anisotropies in silicate glasses

Science.gov (United States)

Baltisberger, Jay H.; Florian, Pierre; Keeler, Eric G.; Phyo, Pyae A.; Sanders, Kevin J.; Grandinetti, Philip J.

2016-07-01

We have examined variations in the 29Si nuclear shielding tensor parameters of SiO4 tetrahedra in a series of seven alkali and alkaline earth silicate glass compositions, Cs2O · 4.81 SiO2, Rb2O · 3.96 SiO2, Rb2O · 2.25 SiO2, K2O · 4.48 SiO2, Na2O · 4.74 SiO2, BaO · 2.64 SiO2, and SrO · 2.36 SiO2, using natural abundance 29Si two-dimensional magic-angle flipping (MAF) experiments. Our analyses of these 2D spectra reveal a linear dependence of the 29Si nuclear shielding anisotropy of Q(3) sites on the Si-non-bridging oxygen bond length, which in turn depends on the cation potential and coordination of modifier cations to the non-bridging oxygen. We also demonstrate how a combination of Cu2+ as a paramagnetic dopant combined with echo train acquisition can reduce the total experiment time of 29Si 2D NMR measurements by two orders of magnitude, enabling higher throughput 2D NMR studies of glass structure.

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

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.

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.

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

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).

Techniques for Ultra-high Magnetic Field Gradient NMR Diffusion Measurements

Science.gov (United States)

Sigmund, Eric E.; Mitrovic, Vesna F.; Calder, Edward S.; Will Thomas, G.; Halperin, William P.; Reyes, Arneil P.; Kuhns, Philip L.; Moulton, William G.

2001-03-01

We report on development and application of techniques for ultraslow diffusion coefficient measurements through nuclear magnetic resonance (NMR) in high magnetic field gradients. We have performed NMR experiments in a steady fringe field gradient of 175 T/m from a 23 T resistive Bitter magnet, as well as in a gradient of 42 T/m from an 8 T superconducting magnet. New techniques to provide optimum sensitivity in these experiments are described. To eliminate parasitic effects of the temporal instability of the resistive magnet, we have introduced a passive filter: a highly conductive cryogen-cooled inductive shield. We show experimental demonstration of such a shield’s effect on NMR performed in the Bitter magnet. For enhanced efficiency, we have employed “frequency jumping” in our spectrometer system. Application of these methods has made possible measurements of diffusion coefficients as low as 10-10 cm^2/s, probing motion on a 250 nm length scale.

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.

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

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.)

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

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)

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)

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

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

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

NMR Evidence for the Topologically Nontrivial Nature in a Family of Half-Heusler Compounds

KAUST Repository

Zhang, Xiaoming

2016-03-16

Spin-orbit coupling (SOC) is expected to partly determine the topologically nontrivial electronic structure of heavy half-Heusler ternary compounds. However, to date, attempts to experimentally observe either the strength of SOC or how it modifies the bulk band structure have been unsuccessful. By using bulk-sensitive nuclear magnetic resonance (NMR) spectroscopy combined with first-principles calculations, we reveal that 209Bi NMR isotropic shifts scale with relativity in terms of the strength of SOC and average atomic numbers, indicating strong relativistic effects on NMR parameters. According to first-principles calculations, we further claim that nuclear magnetic shieldings from relativistic p1/2 states and paramagnetic contributions from low-lying unoccupied p3/2 states are both sensitive to the details of band structures tuned by relativity, which explains why the hidden relativistic effects on band structure can be revealed by 209Bi NMR isotropic shifts in topologically nontrivial half-Heusler compounds. Used in complement to surface-sensitive methods, such as angle resolved photon electron spectroscopy and scanning tunneling spectroscopy, NMR can provide valuable information on bulk electronic states.

NMR Evidence for the Topologically Nontrivial Nature in a Family of Half-Heusler Compounds

KAUST Repository

Zhang, Xiaoming; Hou, Zhipeng; Wang, Yue; Xu, Guizhou; Shi, Chenglong; Liu, EnKe; Xi, Xuekui; Wang, Wenhong; Wu, Guangheng; Zhang, Xixiang

2016-01-01

Spin-orbit coupling (SOC) is expected to partly determine the topologically nontrivial electronic structure of heavy half-Heusler ternary compounds. However, to date, attempts to experimentally observe either the strength of SOC or how it modifies the bulk band structure have been unsuccessful. By using bulk-sensitive nuclear magnetic resonance (NMR) spectroscopy combined with first-principles calculations, we reveal that 209Bi NMR isotropic shifts scale with relativity in terms of the strength of SOC and average atomic numbers, indicating strong relativistic effects on NMR parameters. According to first-principles calculations, we further claim that nuclear magnetic shieldings from relativistic p1/2 states and paramagnetic contributions from low-lying unoccupied p3/2 states are both sensitive to the details of band structures tuned by relativity, which explains why the hidden relativistic effects on band structure can be revealed by 209Bi NMR isotropic shifts in topologically nontrivial half-Heusler compounds. Used in complement to surface-sensitive methods, such as angle resolved photon electron spectroscopy and scanning tunneling spectroscopy, NMR can provide valuable information on bulk electronic states.

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.

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

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.

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.

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.

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.

Ab initio NMR parameters of BrCH3 and ICH3 with relativistic and vibrational corrections

Science.gov (United States)

Uhlíková, Tereza; Urban, Štěpán

2018-05-01

This study is focused on two effects identified when NMR parameters are calculated based on first principles. These effects are 1. vibrational correction of properties when using ab initio optimized equilibrium geometry; 2. relativistic effects and limits of using the Flygare equation. These effects have been investigated and determined for nuclear spin-rotation constants and nuclear magnetic shieldings for the CH3Br and CH3I molecules. The most significant result is the difference between chemical shieldings determined based on the ab initio relativistic four-component Dirac-Coulomb Hamiltonian and chemical shieldings calculated using experimental values and the Flygare equation. This difference is approximately 320 ppm and 1290 ppm for 79Br and 127I in the CH3X molecule, respectively.

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.

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.

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.

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

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)

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...

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.

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

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.

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)

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 ).

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 ).

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)

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.

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.

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

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

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.)

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.

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)

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

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.

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

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).

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).

Available data for house shielding estimates of Japanese atomic bomb survivors

International Nuclear Information System (INIS)

Woolson, William A.

1987-01-01

To make intelligent decisions concerning the methods to update the dosimetry assignments for the Japanese atomic bomb survivors, it is necessary to know the available shielding information that exists in uncoded form on paper and in coded form that can be directly accessed by the computer. The objective of this report is to provide a summary of the available shielding data, both in uncoded and coded form. This report is the result of visits to RERF in Hiroshima and Nagasaki in February and November 1983. The special assistance provided by Mr. Hiroaki Yamada at Hiroshima and Mr. Yoshio Okamoto at Nagasaki is acknowledged. They were in charge of the ABCC shielding sections at their respective locations and have been long involved in the RERF shielding program. Their familiarity with the methods, procedures, and data was of invaluable assistance in this work. The following sections of this report will provide a description of the information that is available in the shielding history files in uncoded form; a brief description of the various shielding methods that were used over the course of time from the T57D system to the present day T65D; and a description of the current coded data bases that can be accessed by computer

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)

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.)

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

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

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.

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

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...

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

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)

Utilization of 1H NMR in the determination of absolute configuration of alcohols

International Nuclear Information System (INIS)

Barreiros, Marizeth L.; David, Jorge M.; David, Juceni P. . E-juceni@ufba.br

2005-01-01

This review reports the determination of absolute configuration of primary and secondary alcohols by 1 H NMR spectroscopy, using the Mosher method. This method consists in the derivatization of an alcohol possessing unknown absolute configuration with one or both enantiomers of an auxiliary reagent. The resulting diastereoisomer spectra are registered and compared, and the chemical shift differences (Δδ R,S = δ R - δ S ) are measured. The determination of the absolute configuration of the alcohol molecule is based on the correlation between its chiral center and the auxiliary reagent's chiral center. Therefore, the determination of the absolute configuration depends on aromatic ring shielding effects on the substituents of the alcohol as evidenced by the 1 H NMR spectrum. (author)

LC-NMR, NMR, and LC-MS identification and LC-DAD quantification of flavonoids and ellagic acid derivatives in Drosera peltata.

Science.gov (United States)

Braunberger, Christina; Zehl, Martin; Conrad, Jürgen; Fischer, Sonja; Adhami, Hamid-Reza; Beifuss, Uwe; Krenn, Liselotte

2013-08-01

The herb of Drosera peltata, commonly named the shield sundew, is used as an antitussive in phytotherapy, although the plants' composition has not been determined in detail so far. Hence, in this study, we present a validated, sensitive, reliable, and cheap narrow-bore LC-DAD method for the simultaneous quantification of flavonoids and ellagic acid derivatives in this herbal drug. In addition, the structures of 13 compounds have been elucidated by LC-MS, LC-NMR, and offline NMR experiments after isolation: herbacetin-3-O-glucoside (1), gossypitrin (2), ellagic acid (3), quercetin-7-O-glucoside (4), isoquercitrin (5), kaempferol-3-O-(6″-O-galloyl)-glucoside (6), herbacetin-7-O-glucoside (7), astragalin (8), gossypetin (9), herbacetin (10), quercetin (11), 3,3'-di-O-methyl ellagic acid (12), and kaempferol (13). Compounds 1, 2, 4, 5, 6, 7, and 10 have been identified in D. peltata for the first time, and compounds 1, 4, 6, 7, and 10 have not been detected in any Drosera species before. Copyright © 2013 Elsevier B.V. All rights reserved.

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

Decision-making methodology of optimal shielding materials by using fuzzy linear programming

International Nuclear Information System (INIS)

Kanai, Y.; Miura, T.; Hirao, Y.

2000-01-01

The main purpose of our studies are to select materials and determine the ratio of constituent materials as the first stage of optimum shielding design to suit the individual requirements of nuclear reactors, reprocessing facilities, casks for shipping spent fuel, etc. The parameters of the shield optimization are cost, space, weight and some shielding properties such as activation rates or individual irradiation and cooling time, and total dose rate for neutrons (including secondary gamma ray) and for primary gamma ray. Using conventional two-valued logic (i.e. crisp) approaches, huge combination calculations are needed to identify suitable materials for optimum shielding design. Also, re-computation is required for minor changes, as the approach does not react sensitively to the computation result. Present approach using a fuzzy linear programming method is much of the decision-making toward the satisfying solution might take place in fuzzy environment. And it can quickly and easily provide a guiding principle of optimal selection of shielding materials under the above-mentioned conditions. The possibility or reducing radiation effects by optimizing the ratio of constituent materials is investigated. (author)

NMR espectroscopic parameters of HX and Si (Sn)X4 (X = H, F, Cl, Br and I) and SnBr4−nIn model compounds

International Nuclear Information System (INIS)

Maldonado, Alejandro F.; Gimenez, Carlos A.; Aucar, Gustavo A.

2012-01-01

Graphical abstract: Optimized fully relativistic calculations of NMR J-couplings (HBr, HI), chemical shifts (Si, Sn) and absolute shielding for reference compounds of heavy atoms (Si, Sn) are given. Highlights: ► In this article we show a procedure to get accurate NMR σ Ref of Si and Sn. ► Calculations of σ on more than three heavy-atom-containing molecules are given. ► Our results are closer to δ exp than previous calculations for SnX 4 (X = H, Cl, Br, I). ► Optimized basis sets were considered for full R and NR calculations of NMR J and σ. ► Relativistic effects enlarge electron correlation effects on J-couplings. - Abstract: The NMR spectroscopic parameters are largely influenced by relativistic effects. They are highly dependent on the electronic behavior inside the spatial regions occupied by nuclei. Full relativistic calculations of indirect nuclear spin–spin couplings at random phase level of approach (RPA) in the title compounds with reoptimized Dyall cVTZ basis sets are given. A comparison with the results of calculations with other basis sets that are mostly used within the non-relativistic (NR) domain is presented. We analyzed the dependence of that couplings with the speed of light over the whole range of values, from the full relativistic to the NR regimes. Within this last regime, calculations at the second-order level of approach (SOPPA) indicated that electron correlation effects may not be as important for nuclear magnetic shieldings, but they must be included with care for J-coupling calculations. From these calculations, we determined that relativity enlarges the electron correlation effects of the J-couplings of HBr and HI. Because the results of nuclear magnetic shielding calculations within polarization propagators at the RPA level were reliable, we were able to show a new and easy procedure to obtain absolute nuclear magnetic shieldings on reference compounds for both Si and Sn nuclei: σ[Si (CH 3 ) 4 ] = 421.28 ± 29.33 ppm

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.

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.

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.

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)

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.

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

Shielding calculation techniques used in the design of fuel storage systems

International Nuclear Information System (INIS)

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

1986-01-01

This paper addresses the shielding design and analysis of a concrete modular spent fuel storage system. 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 exit 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

PDBStat: a universal restraint converter and restraint analysis software package for protein NMR

International Nuclear Information System (INIS)

Tejero, Roberto; Snyder, David; Mao, Binchen; Aramini, James M.; Montelione, Gaetano T.

2013-01-01

The heterogeneous array of software tools used in the process of protein NMR structure determination presents organizational challenges in the structure determination and validation processes, and creates a learning curve that limits the broader use of protein NMR in biology. These challenges, including accurate use of data in different data formats required by software carrying out similar tasks, continue to confound the efforts of novices and experts alike. These important issues need to be addressed robustly in order to standardize protein NMR structure determination and validation. PDBStat is a C/C++ computer program originally developed as a universal coordinate and protein NMR restraint converter. Its primary function is to provide a user-friendly tool for interconverting between protein coordinate and protein NMR restraint data formats. It also provides an integrated set of computational methods for protein NMR restraint analysis and structure quality assessment, relabeling of prochiral atoms with correct IUPAC names, as well as multiple methods for analysis of the consistency of atomic positions indicated by their convergence across a protein NMR ensemble. In this paper we provide a detailed description of the PDBStat software, and highlight some of its valuable computational capabilities. As an example, we demonstrate the use of the PDBStat restraint converter for restrained CS-Rosetta structure generation calculations, and compare the resulting protein NMR structure models with those generated from the same NMR restraint data using more traditional structure determination methods. These results demonstrate the value of a universal restraint converter in allowing the use of multiple structure generation methods with the same restraint data for consensus analysis of protein NMR structures and the underlying restraint data

PDBStat: a universal restraint converter and restraint analysis software package for protein NMR

Energy Technology Data Exchange (ETDEWEB)

Tejero, Roberto [Rutgers, The State University of New Jersey, Center for Advanced Biotechnology and Medicine (United States); Snyder, David [William Paterson University, Department of Chemistry (United States); Mao, Binchen; Aramini, James M.; Montelione, Gaetano T., E-mail: guy@cabm.rutgers.edu [Rutgers, The State University of New Jersey, Center for Advanced Biotechnology and Medicine (United States)

2013-08-15

The heterogeneous array of software tools used in the process of protein NMR structure determination presents organizational challenges in the structure determination and validation processes, and creates a learning curve that limits the broader use of protein NMR in biology. These challenges, including accurate use of data in different data formats required by software carrying out similar tasks, continue to confound the efforts of novices and experts alike. These important issues need to be addressed robustly in order to standardize protein NMR structure determination and validation. PDBStat is a C/C++ computer program originally developed as a universal coordinate and protein NMR restraint converter. Its primary function is to provide a user-friendly tool for interconverting between protein coordinate and protein NMR restraint data formats. It also provides an integrated set of computational methods for protein NMR restraint analysis and structure quality assessment, relabeling of prochiral atoms with correct IUPAC names, as well as multiple methods for analysis of the consistency of atomic positions indicated by their convergence across a protein NMR ensemble. In this paper we provide a detailed description of the PDBStat software, and highlight some of its valuable computational capabilities. As an example, we demonstrate the use of the PDBStat restraint converter for restrained CS-Rosetta structure generation calculations, and compare the resulting protein NMR structure models with those generated from the same NMR restraint data using more traditional structure determination methods. These results demonstrate the value of a universal restraint converter in allowing the use of multiple structure generation methods with the same restraint data for consensus analysis of protein NMR structures and the underlying restraint data.

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.

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

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.

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

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

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

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)

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.

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.

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.

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)

The biological shield of a high-intensity spallation source: a monte Carlo design study

International Nuclear Information System (INIS)

Koprivnikar, I.; Schachinger, E.

2004-01-01

The design of high-intensity spallation sources requires the best possible estimates for the biological shield. The applicability of three-dimensional Monte Carlo simulation in the design of the biological shield of a spallation source will be discussed. In order to achieve reasonable computing times along with acceptable accuracy, biasing techniques are to be employed and it was the main purpose of this work to develop a strategy for an effective Monte Carlo simulation in shielding design. The most prominent MC computer codes, namely MCNPX and FLUKA99, have been applied to the same model spallation source (the European Spallation Source) and on the basis of the derived strategies, the design and characteristics of the target station shield are discussed. It is also the purpose of the paper to demonstrate the application of the developed strategy for the design of beam lines with their shielding using as an example the target-moderator-reflector complex of the ESS as the primary particle source. (author)

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)

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.

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.

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

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.

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.

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

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).

NMR/MS Translator for the Enhanced Simultaneous Analysis of Metabolomics Mixtures by NMR Spectroscopy and Mass Spectrometry: Application to Human Urine.

Science.gov (United States)

Bingol, Kerem; Brüschweiler, Rafael

2015-06-05

A novel metabolite identification strategy is presented for the combined NMR/MS analysis of complex metabolite mixtures. The approach first identifies metabolite candidates from 1D or 2D NMR spectra by NMR database query, which is followed by the determination of the masses (m/z) of their possible ions, adducts, fragments, and characteristic isotope distributions. The expected m/z ratios are then compared with the MS(1) spectrum for the direct assignment of those signals of the mass spectrum that contain information about the same metabolites as the NMR spectra. In this way, the mass spectrum can be assigned with very high confidence, and it provides at the same time validation of the NMR-derived metabolites. The method was first demonstrated on a model mixture, and it was then applied to human urine collected from a pool of healthy individuals. A number of metabolites could be detected that had not been reported previously, further extending the list of known urine metabolites. The new analysis approach, which is termed NMR/MS Translator, is fully automated and takes only a few seconds on a computer workstation. NMR/MS Translator synergistically uses the power of NMR and MS, enhancing the accuracy and efficiency of the identification of those metabolites compiled in databases.

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

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.

NMR espectroscopic parameters of HX and Si (Sn)X{sub 4} (X = H, F, Cl, Br and I) and SnBr{sub 4-n}I{sub n} model compounds

Energy Technology Data Exchange (ETDEWEB)

Maldonado, Alejandro F.; Gimenez, Carlos A. [Physics Department, Natural and Exact Science Faculty, Northeastern University of Argentina and Institute of Modelling and Innovation on Technology, IMIT Avda Libertad 5460, W3404AAS Corrientes (Argentina); Aucar, Gustavo A., E-mail: gaa@unne.edu.ar [Physics Department, Natural and Exact Science Faculty, Northeastern University of Argentina and Institute of Modelling and Innovation on Technology, IMIT Avda Libertad 5460, W3404AAS Corrientes (Argentina)

2012-02-20

Graphical abstract: Optimized fully relativistic calculations of NMR J-couplings (HBr, HI), chemical shifts (Si, Sn) and absolute shielding for reference compounds of heavy atoms (Si, Sn) are given. Highlights: Black-Right-Pointing-Pointer In this article we show a procedure to get accurate NMR {sigma}{sup Ref} of Si and Sn. Black-Right-Pointing-Pointer Calculations of {sigma} on more than three heavy-atom-containing molecules are given. Black-Right-Pointing-Pointer Our results are closer to {delta}{sup exp} than previous calculations for SnX{sub 4} (X = H, Cl, Br, I). Black-Right-Pointing-Pointer Optimized basis sets were considered for full R and NR calculations of NMR J and {sigma}. Black-Right-Pointing-Pointer Relativistic effects enlarge electron correlation effects on J-couplings. - Abstract: The NMR spectroscopic parameters are largely influenced by relativistic effects. They are highly dependent on the electronic behavior inside the spatial regions occupied by nuclei. Full relativistic calculations of indirect nuclear spin-spin couplings at random phase level of approach (RPA) in the title compounds with reoptimized Dyall cVTZ basis sets are given. A comparison with the results of calculations with other basis sets that are mostly used within the non-relativistic (NR) domain is presented. We analyzed the dependence of that couplings with the speed of light over the whole range of values, from the full relativistic to the NR regimes. Within this last regime, calculations at the second-order level of approach (SOPPA) indicated that electron correlation effects may not be as important for nuclear magnetic shieldings, but they must be included with care for J-coupling calculations. From these calculations, we determined that relativity enlarges the electron correlation effects of the J-couplings of HBr and HI. Because the results of nuclear magnetic shielding calculations within polarization propagators at the RPA level were reliable, we were able to show a new

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.

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

Ultra-Low Field SQUID-NMR using LN2 Cooled Cu Polarizing Field coil

Science.gov (United States)

Demachi, K.; Kawagoe, S.; Ariyoshi, S.; Tanaka, S.

2017-07-01

We are developing an Ultra-Low Field (ULF) Magnetic Resonance Imaging (MRI) system using a High-Temperature Superconductor superconducting quantum interference device (HTS rf-SQUID) for food inspection. The advantages of the ULF-NMR (Nuclear Magnetic Resonance) / MRI as compared with a conventional high field MRI are that they are compact and of low cost. In this study, we developed a ULF SQUID-NMR system using a polarizing coil to measure fat of which relaxation time T1 is shorter. The handmade polarizing coil was cooled by liquid nitrogen to reduce the resistance and accordingly increase the allowable current. The measured decay time of the polarizing field was 40 ms. The measurement system consisted of the liquid nitrogen cooled polarizing coil, a SQUID, a Cu wound flux transformer, a measurement field coil for the field of 47 μT, and an AC pulse coil for a 90°pulse field. The NMR measurements were performed in a magnetically shielded room to reduce the environmental magnetic field. The size of the sample was ϕ35 mm × L80 mm. After applying a polarizing field and a 90°pulse, an NMR signal was detected by the SQUID through the flux transformer. As a result, the NMR spectra of fat samples were obtained at 2.0 kHz corresponding to the measurement field Bm of 47 μT. The T1 relaxation time of the mineral oil measured in Bm was 45 ms. These results suggested that the ULF-NMR/MRI system has potential for food inspection.

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

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.)

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)

ULF-NMR system using HTS-SQUID and permanent magnet

Energy Technology Data Exchange (ETDEWEB)

Fukumoto, Shohei, E-mail: hatukade@ens.tut.ac.jp [Toyohashi University of Technology, 1-1 Hibarigaoka, Tempaku-cho, Toyohashi, Aichi 441-8580 (Japan); Tsunaki, Shingo; Chigasaki, Takumi; Hatsukade, Yoshimi; Tanaka, Saburo [Toyohashi University of Technology, 1-1 Hibarigaoka, Tempaku-cho, Toyohashi, Aichi 441-8580 (Japan)

2013-01-15

Highlights: ► A permanent magnet was introduced into a ULF SQUID-NMR system for polarization. ► An instrument to transfer a sample in the magnet to under a SQUID was implemented. ► An AC pulse coil was also introduced to apply a π/2 pulse to obtain an NMR signal. ► A {sup 1}H NMR signal was measured while applying a static field of 45 μT. ► The signal to noise ratio of the {sup 1}H NMR signal was about 100. -- Abstract: We have constructed an ultra-low field (ULF) nuclear magnetic resonance (NMR)/magnetic resonance imaging (MRI) system using an HTS-rf-SQUID and room-temperature electromagnets in a magnetically shielded room (MSR). In this study, in order to improve the signal to noise ratio (S/N) of the system, we introduced a permanent magnet instead of the electromagnet for pre-polarizing the sample to enhance the pre-polarizing field (B{sub p}). The cylindrical permanent magnet of 270 mT was used to magnetize a water sample for several seconds outside the MSR and about 1.5 m away from the SQUID. We constructed an instrument to transfer the magnetized sample from the permanent magnet to under the SQUID in 0.5 s. Since the non-adiabatic condition cannot be kept in such sample transfer scheme, an AC pulse coil to apply an AC pulse field B{sub AC} to rotate the magnetization moments for π/2 was introduced to measure a free induction decay (FID) signal from the sample. By this system, we obtained an NMR signal from the water sample of 10 ml while applying a static field of 45 μT and π/2 pulse after the transfer. The S/N of the NMR spectrum was about 100 by a single shot, which was 10 times larger than that obtained with the electromagnet of 32 mT. In addition, we demonstrated the measurements of the longitudinal relaxation time (T{sub 1}) and the spin echo signal of the water sample by the system.

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.

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

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

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.

A practical look at Monte Carlo variance reduction methods in radiation shielding

Energy Technology Data Exchange (ETDEWEB)

Olsher, Richard H. [Los Alamos National Laboratory, Los Alamos (United States)

2006-04-15

With the advent of inexpensive computing power over the past two decades, applications of Monte Carlo radiation transport techniques have proliferated dramatically. At Los Alamos, the Monte Carlo codes MCNP5 and MCNPX are used routinely on personal computer platforms for radiation shielding analysis and dosimetry calculations. These codes feature a rich palette of Variance Reduction (VR) techniques. The motivation of VR is to exchange user efficiency for computational efficiency. It has been said that a few hours of user time often reduces computational time by several orders of magnitude. Unfortunately, user time can stretch into the many hours as most VR techniques require significant user experience and intervention for proper optimization. It is the purpose of this paper to outline VR strategies, tested in practice, optimized for several common radiation shielding tasks, with the hope of reducing user setup time for similar problems. A strategy is defined in this context to mean a collection of MCNP radiation transport physics options and VR techniques that work synergistically to optimize a particular shielding task. Examples are offered the areas of source definition, skyshine, streaming, and transmission.

A practical look at Monte Carlo variance reduction methods in radiation shielding

International Nuclear Information System (INIS)

Olsher, Richard H.

2006-01-01

With the advent of inexpensive computing power over the past two decades, applications of Monte Carlo radiation transport techniques have proliferated dramatically. At Los Alamos, the Monte Carlo codes MCNP5 and MCNPX are used routinely on personal computer platforms for radiation shielding analysis and dosimetry calculations. These codes feature a rich palette of Variance Reduction (VR) techniques. The motivation of VR is to exchange user efficiency for computational efficiency. It has been said that a few hours of user time often reduces computational time by several orders of magnitude. Unfortunately, user time can stretch into the many hours as most VR techniques require significant user experience and intervention for proper optimization. It is the purpose of this paper to outline VR strategies, tested in practice, optimized for several common radiation shielding tasks, with the hope of reducing user setup time for similar problems. A strategy is defined in this context to mean a collection of MCNP radiation transport physics options and VR techniques that work synergistically to optimize a particular shielding task. Examples are offered the areas of source definition, skyshine, streaming, and transmission

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.

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.

Electromagnetic analysis of transient disruption forces on the ITER shield modules

International Nuclear Information System (INIS)

Kotulski, J.D.; Coats, R.S.; Pasik, M.F.

2007-01-01

There are potential abnormal operating environments where the disruption of the plasma currents inside a tokamak induce eddy currents in the shield modules. These currents interact with the large magnetic fields to produce forces in the modules which could potentially cause mechanical failure in the modules and vacuum vessel. For this reason the design and qualification of the ITER shield modules requires appropriate high-fidelity electromagnetic simulations that capture the physics of these situations. These simulations need to include an accurate representation of the disruption currents as well as an accurate electromagnetic model of the shield modules. The purpose of this presentation is to describe the electromagnetic analysis that has been completed using the OPERA-3D product to characterize the forces on the shield modules allocated to the US. We first describe the electromagnetic model of the system which consists of the disruption currents and the shield modules attached to the vacuum vessel. The disruption currents are represented in OPERA-3D using superposition of a large number of solenoids with independent time variation to account for the spatial and temporal variation of the plasma current and position. In addition, the simplified electromagnetic model of the shield modules will be described and discussed. Once the modeling has been described the simulation results are presented. The force computation are also presented and the results discussed. These forces are then used by a mechanical analysis program to compute stresses and torques on a module during the disruption of the plasma currents. (orig.)

Mechanical and radiation shielding properties of mortars with additive fine aggregate mine waste

International Nuclear Information System (INIS)

Gallala, Wissem; Hayouni, Yousra; Gaied, Mohamed Essghaier; Fusco, Michael; Alsaied, Jasmin; Bailey, Kathryn; Bourham, Mohamed

2017-01-01

Highlights: • Effectiveness of mine waste as additive fine aggregate has been investigated. • Experimental results are verified by computationally from composition of synthesized samples. • Work focuses on shielding materials for nuclear systems including spent fuel storage and drycasks. - Abstract: Incorporation of barite-fluorspar mine waste (BFMW) as a fine aggregate additive has been investigated for its effect on the mechanical and shielding properties of cement mortar. Several mortar mixtures were prepared with different proportions of BFMW ranging from 0% to 30% as fine aggregate replacement. Cement mortar mixtures were evaluated for density, compressive and tensile strengths, and gamma ray radiation shielding. The results revealed that the mortar mixes containing 25% BFMW reaches the highest compressive strength values, which exceeded 50 MPa. Evaluation of gamma-ray attenuation was both measured by experimental tests and computationally calculated using MicroShield software package, and results have shown that using BFMW aggregates increases attenuation coefficient by about 20%. These findings have demonstrated that the mine waste can be suitably used as partial replacement aggregate to improve radiation shielding as well as to reduce the mortar and concrete costs.

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)

Bibliography, subject index, and author index of the literature examined by the radiation shielding information center. Volume 6. Reactor and weapons radiation shielding

International Nuclear Information System (INIS)

1980-05-01

An indexed bibliography is presented of literature selected by the Radiation Shielding Information Center since the previous volume was published in 1978 in the area of radiation transport and shielding against radiation from nuclear reactors, x-ray machines, radioisotopes, nuclear weapons (including fallout), and low energy accelerators (e.g., neutron generators). The bibliography was typeset from data processed by computer from magnetic tape files. In addition to lists of literature titles by subject categories (accessions 4951-6200), an author index is given

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.

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

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

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)

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)

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

Frequency dependence of magnetic shielding performance of HTS plates in mixed states

International Nuclear Information System (INIS)

Kamitani, Atsushi; Yokono, Takafumi; Yokono, Takafumi

2000-01-01

The magnetic shielding performance of the high-Tc superconducting (HTS) plate is investigated numerically. The behavior of the shielding current density in the HTS plate is expressed as the integral-differential equation with a normal component of the current vector potential as a dependent variable. The numerical code for solving the equation has been developed by using the combination of the Newton-Raphson method and the successive substitution method and, by use of the code, damping coefficients and shielding factors are evaluated for the various values of the frequency ω. The results of computations show that the HTS plate has a possibility of shielding the high-frequency magnetic field with ω > or approx. 1 kHz. (author)

Frequency dependence of magnetic shielding performance of HTS plates in mixed states

Energy Technology Data Exchange (ETDEWEB)

Kamitani, Atsushi; Yokono, Takafumi [Yamagata Univ., Yonezawa (Japan). Faculty of Engineering; Yokono, Takafumi [Tsukuba Univ., Ibaraki (Japan). Inst. of Information Sciences and Electronics

2000-06-01

The magnetic shielding performance of the high-Tc superconducting (HTS) plate is investigated numerically. The behavior of the shielding current density in the HTS plate is expressed as the integral-differential equation with a normal component of the current vector potential as a dependent variable. The numerical code for solving the equation has been developed by using the combination of the Newton-Raphson method and the successive substitution method and, by use of the code, damping coefficients and shielding factors are evaluated for the various values of the frequency {omega}. The results of computations show that the HTS plate has a possibility of shielding the high-frequency magnetic field with {omega} > or approx. 1 kHz. (author)

Remote sampling and analysis of highly radioactive samples in shielded boxes

International Nuclear Information System (INIS)

Kirpikov, D.A.; Miroshnichenko, I.V.; Pykhteev, O.Yu.

2010-01-01

The sampling procedure used for highly radioactive coolant water is associated with high risk of personnel irradiation and uncontrolled radioactive contamination. Remote sample manipulation with provision for proper radiation shielding is intended for safety enhancement of the sampling procedure. The sampling lines are located in an isolated compartment, a shielded box. Various equipment which enables remote or automatic sample manipulation is used for this purpose. The main issues of development of the shielded box equipment intended for a wider ranger of remote chemical analyses and manipulation techniques for highly radioactive water samples are considered in the paper. There were three principal directions of work: Transfer of chemical analysis performed in the laboratory inside the shielded box; Prevalence of computer-aided and remote techniques of highly radioactive sample manipulation inside the shielded box; and, Increase in control over sampling and determination of thermal-hydraulic parameters of the coolant water in the sampling lines. The developed equipment and solutions enable remote chemical analysis in the restricted volume of the shielded box by using ion-chromatographic, amperometrical, fluorimetric, flow injection, phototurbidimetric, conductometric and potentiometric methods. Extent of control performed in the shielded box is determined taking into account the requirements of the regulatory documents as well as feasibility and cost of the technical adaptation of various methods to the shielded box conditions. The work resulted in highly precise determination of more than 15 indexes of the coolant water quality performed in on-line mode in the shielded box. It averages to 80% of the total extent of control performed at the prototype reactor plants. The novel solutions for highly radioactive sample handling are implemented in the shielded box (for example, packaging, sample transportation to the laboratory, volume measurement). The shielded box is

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.

GARLIC, a shielding program for GAmma Radiation from Line- and Cylinder-sources

Energy Technology Data Exchange (ETDEWEB)

Roos, Matts

1959-07-15

GARLIC is a program for computing the gamma ray flux or dose rate at a shielded idotropic point detector, due to a line source or the line equivalent of a cylindrical source. The source strength distribution along the line must be either uniform or an arbitrary part of the positive half-cycle of a cosine function. The line source can be oriented arbitrarily with respect to the main shield and the detector, except that the detector must not be located on the line source or on its extension. The main source is a homogeneous plane slab in which scattered radiation is accounted for by multiplying each point element of the line source by a point source build-up factor inside the integral over the point elements. Between, the main shield and the line source additional shields can be introduced, which are either plane slabs, parallel to the main shield, or cylindrical rings, coaxial with the line source. Scattered radiation in the additional shields can only be accounted for by constant build-up factors outside the integral. GARLIC-xyz is an extended version particularly suited for the frequently met problem of shielding a room containing a large number of line sources in different positions. The program computes the angles and linear dimensions of a problem for GARLIC when the positions of the detector point and the end points of the line source are given as points in an arbitrary rectangular coordinate system. As an example the isodose curves in water are presented for a monoenergetic cosine-distributed line source at several source energies and for an operating fuel element of the Swedish reactor R3.

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…

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.)

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.

Halogen effect on structure and ¹³C NMR chemical shift of 3,6-disubstituted-N-alkyl carbazoles

DEFF Research Database (Denmark)

Radula-Janik, Klaudia; Kupka, Teobald; Ejsmont, Krzysztof

2013-01-01

Structures of selected 3,6-dihalogeno-N-alkyl carbazole derivatives were calculated at the B3LYP/6-311++G(3df,2pd) level of theory and their 13C NMR isotropic nuclear shieldings were predicted using density functional theory (DFT). The model compounds contained 9H-, N-methyl and N-ethyl derivatives...

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.

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)

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.

Determining the parity of a permutation using an experimental NMR qutrit

International Nuclear Information System (INIS)

Dogra, Shruti; Arvind,; Dorai, Kavita

2014-01-01

We present the NMR implementation of a recently proposed quantum algorithm to find the parity of a permutation. In the usual qubit model of quantum computation, it is widely believed that computational speedup requires the presence of entanglement and thus cannot be achieved by a single qubit. On the other hand, a qutrit is qualitatively more quantum than a qubit because of the existence of quantum contextuality and a single qutrit can be used for computing. We use the deuterium nucleus oriented in a liquid crystal as the experimental qutrit. This is the first experimental exploitation of a single qutrit to carry out a computational task. - Highlights: • NMR implementation of a quantum algorithm to determine the parity of a permutation. • Algorithm implemented on a single qutrit. • Computational speedup achieved without quantum entanglement. • Single qutrit shows quantum contextuality

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.

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.)

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.

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

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.)

Shielding augmentation of roll-on shield from NAPS to Kaiga-2

International Nuclear Information System (INIS)

Pradhan, A.S.; Kumar, A.N.

2000-01-01

Extensive radiation field surveys were conducted in NAPS and KAPS reactor buildings as a part of commissioning checks on radiation shielding. During such surveys, dose rate higher than the expected values were noticed in fuelling machine service areas. A movable shield, separating high field area fuelling machine vault and low field area fuelling machine service area, known as roll-on shield was identified as one of the causes of high field in fuelling machine service area along with weaker end-shield. This paper discusses systematic approach adopted in bringing down the dose rates in fuelling machine service area by augmentation of roll-on shield. (author)

Thermometry of hot spot using NMR for hyperthermia

International Nuclear Information System (INIS)

Amemiya, Yoshifumi; Kamimura, Yoshitsugu

1983-01-01

Lately noticed hyperthermia in cancer therapy requires non-invasive measurement of the temperature at the warmed site in the deep portion of human body. Nuclear magnetic relaxation time of NMR is also usable for cancer diagnosis. For coordination of these two techniques, it was judged suitable to measure temperature by NMR so that cancer diagnosis and treatment and evaluation of therapeutic effect might be incorporated into one system. This report dealt with concrete procedures of measuring the temperature of deep portions by NMR. Computations revealed that the coefficient of temperature of the thermal equilibrium magnetization was useful, that magnetic field focusing was the most effective imaging technique and that temperature rise in areas about 2 cm in radius could be measured without large errors. (Chiba, N.)

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

Radiation shielding technology development for proton linear accelerator

Energy Technology Data Exchange (ETDEWEB)

Lee, Yong Ouk; Lee, Y. O.; Cho, Y. S. [Korea Atomic Energy Research Institute, Taejon (Korea, Republic of); Kim, M. H.; Sin, M. W.; Park, B. I. [Kyunghee Univ., Seoul (Korea, Republic of)] [and others

2005-09-01

This report was presented as an output of 2-year project of the first phase Proton Engineering Frontier Project(PEFP) on 'Radiation Shielding Technology Development for Proton Linear Accelerator' for 20/100 MeV accelerator beam line and facility. It describes a general design concept, provision and update of basic design data, and establishment of computer code system. It also includes results of conceptual and preliminary designs of beam line, beam dump and beam facilities as well as an analysis of air-activation inside the accelerator equipment. This report will guides the detailed shielding design and production of radiation safety analysis report scheduled in the second phase project.

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

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.

Optimal beta-ray shielding thicknesses for different therapeutic radionuclides and shielding materials

International Nuclear Information System (INIS)

Cho, Yong In; Kim, Ja Mee; Kim, Jung Hoon

2017-01-01

To better understand the distribution of deposited energy of beta and gamma rays according to changes in shielding materials and thicknesses when radionuclides are used for therapeutic nuclear medicine, a simulation was conducted. The results showed that due to the physical characteristics of each therapeutic radionuclide, the thicknesses of shielding materials at which beta-ray shielding takes place varied. Additional analysis of the shielding of gamma ray was conducted for radionuclides that emit both beta and gamma rays simultaneously with results showing shielding effects proportional to the atomic number and density of the shielding materials. Also, analysis of bremsstrahlung emission after beta-ray interactions in the simulation revealed that the occurrence of bremsstrahlung was relatively lower than theoretically calculated and varied depending on different radionuclides. (authors)

Resonance Self-Shielding Methodologies in SCALE 6

International Nuclear Information System (INIS)

Williams, Mark L.

2011-01-01

SCALE 6 includes several problem-independent multigroup (MG) libraries that were processed from the evaluated nuclear data file ENDF/B using a generic flux spectrum. The library data must be self-shielded and corrected for problem-specific spectral effects for use in MG neutron transport calculations. SCALE 6 computes problem-dependent MG cross sections through a combination of the conventional Bondarenko shielding-factor method and a deterministic continuous-energy (CE) calculation of the fine-structure spectra in the resolved resonance and thermal energy ranges. The CE calculation can be performed using an infinite medium approximation, a simplified two-region method for lattices, or a one-dimensional discrete ordinates transport calculation with pointwise (PW) cross-section data. This paper describes the SCALE-resonance self-shielding methodologies, including the deterministic calculation of the CE flux spectra using PW nuclear data and the method for using CE spectra to produce problem-specific MG cross sections for various configurations (including doubly heterogeneous lattices). It also presents results of verification and validation studies.

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.

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)

Recent Advances in Computational Methods for Nuclear Magnetic Resonance Data Processing

KAUST Repository

Gao, Xin

2013-01-11

Although three-dimensional protein structure determination using nuclear magnetic resonance (NMR) spectroscopy is a computationally costly and tedious process that would benefit from advanced computational techniques, it has not garnered much research attention from specialists in bioinformatics and computational biology. In this paper, we review recent advances in computational methods for NMR protein structure determination. We summarize the advantages of and bottlenecks in the existing methods and outline some open problems in the field. We also discuss current trends in NMR technology development and suggest directions for research on future computational methods for NMR.

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.

The shielding calculation for the CN guide shielding assembly in HANARO

International Nuclear Information System (INIS)

Kim, H. S.; Lee, B. C.; Lee, K. H.; Kim, H.

2006-01-01

The cold neutron research facility in HANARO is under construction. The area including neutron guides and rotary shutter in the reactor hall should be shielded by the guide shielding assembly which is constructed of heavy concrete blocks and structure. The guide shielding assembly is divided into 2 parts, A and B. Part A is about 6.4 meters apart from the reactor biological shield and it is constructed of heavy concrete blocks whose density is above 4.0g/cm 3 . And part B is a fixed heavy concrete structure whose density is above 3.5g/cm 3 . The rotary shutter is also made with heavy concrete whose density is above 4.0g/cm 3 and includes 5 neutron guides inside. It can block the neutron beam by rotating when CNS is not operating. The dose criterion outside the guide shielding assembly is established as 12.5 μSv/hr which is also applied to reactor shielding in HANARO

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.

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.

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

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.

Revisiting the stamm'ler self-shielding method

International Nuclear Information System (INIS)

Hebert, A.

2004-01-01

The generalized Stamm'ler method is been used in lattice codes such as PHOENIX, WIMS-AECL and DRAGON-IST for computing self-shielded cross sections, prior to the main flux calculation. This method is handicapped by deficiencies, such as its low accuracy and its inability to represent distributed self-shielding effects in a fuel rod or across a fuel bundle. The paper describes improvements that could be made to the generalized Stamm'ler method in order to mitigate these two defects. A validation is presented for the case of 238 U nuclides located in different geometries. The isotopic absorption rates obtained with the proposed numerical scheme are compared with exact values obtained with a fine-group elastic slowing-down calculation in the resolved energy domain. (author)

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

NbF5 and TaF5: Assignment of 19F NMR resonances and chemical bond analysis from GIPAW calculations

International Nuclear Information System (INIS)

Biswal, Mamata; Body, Monique; Legein, Christophe; Sadoc, Aymeric; Boucher, Florent

2013-01-01

The 19 F isotropic chemical shifts (δ iso ) of two isomorphic compounds, NbF 5 and TaF 5 , which involve six nonequivalent fluorine sites, have been experimentally determined from the reconstruction of 1D 19 F MAS NMR spectra. In parallel, the corresponding 19 F chemical shielding tensors have been calculated using the GIPAW method for both experimental and DFT-optimized structures. Furthermore, the [M 4 F 20 ] units of NbF 5 and TaF 5 being held together by van der Waals interactions, the relevance of Grimme corrections to the DFT optimization processes has been evaluated. However, the semi-empirical dispersion correction term introduced by such a method does not show any significant improvement. Nonetheless, a complete and convincing assignment of the 19 F NMR lines of NbF 5 and TaF 5 is obtained, ensured by the linearity between experimental 19 F δ iso values and calculated 19 F isotropic chemical shielding σ iso values. The effects of the geometry optimizations have been carefully analyzed, confirming among other matters, the inaccuracy of the experimental structure of NbF 5 . The relationships between the fluorine chemical shifts, the nature of the fluorine atoms (bridging or terminal), the position of the terminal ones (opposite or perpendicular to the bridging ones), the fluorine charges, the ionicity and the length of the M–F bonds have been established. Additionally, for three of the 19 F NMR lines of NbF 5 , distorted multiplets, arising from 1 J-coupling and residual dipolar coupling between the 19 F and 93 Nb nuclei, were simulated yielding to values of 93 Nb– 19 F 1 J-coupling for the corresponding fluorine sites. - Graphical abstract: The complete assignment of the 19 F NMR lines of NbF 5 and TaF 5 allow establishing relationships between the 19 F δ iso values, the nature of the fluorine atoms (bridging or terminal), the position of the terminal ones (opposite or perpendicular to the bridging ones), the fluorine charges, the ionicity and the

NMR data-driven structure determination using NMR-I-TASSER in the CASD-NMR experiment

Energy Technology Data Exchange (ETDEWEB)

Jang, Richard [Huazhong University of Science and Technology, School of Software Engineering (China); Wang, Yan [Huazhong University of Science and Technology, School of Life Science and Technology (China); Xue, Zhidong, E-mail: zdxue@hust.edu.cn [Huazhong University of Science and Technology, School of Software Engineering (China); Zhang, Yang, E-mail: zhng@umich.edu [University of Michigan, Department of Computational Medicine and Bioinformatics (United States)

2015-08-15

NMR-I-TASSER, an adaption of the I-TASSER algorithm combining NMR data for protein structure determination, recently joined the second round of the CASD-NMR experiment. Unlike many molecular dynamics-based methods, NMR-I-TASSER takes a molecular replacement-like approach to the problem by first threading the target through the PDB to identify structural templates which are then used for iterative NOE assignments and fragment structure assembly refinements. The employment of multiple templates allows NMR-I-TASSER to sample different topologies while convergence to a single structure is not required. Retroactive and blind tests of the CASD-NMR targets from Rounds 1 and 2 demonstrate that even without using NOE peak lists I-TASSER can generate correct structure topology with 15 of 20 targets having a TM-score above 0.5. With the addition of NOE-based distance restraints, NMR-I-TASSER significantly improved the I-TASSER models with all models having the TM-score above 0.5. The average RMSD was reduced from 5.29 to 2.14 Å in Round 1 and 3.18 to 1.71 Å in Round 2. There is no obvious difference in the modeling results with using raw and refined peak lists, indicating robustness of the pipeline to the NOE assignment errors. Overall, despite the low-resolution modeling the current NMR-I-TASSER pipeline provides a coarse-grained structure folding approach complementary to traditional molecular dynamics simulations, which can produce fast near-native frameworks for atomic-level structural refinement.

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.)

Synergistic Applications of MD and NMR for the Study of Biological Systems

Directory of Open Access Journals (Sweden)

Olivier Fisette

2012-01-01

same time, theoretical and computational approaches gain in reliability and their field of application widens. In this short paper, we discuss recent advances in the areas of solution nuclear magnetic resonance (NMR spectroscopy and molecular dynamics (MD simulations that were made possible by the combination of both methods, that is, through their synergistic use. We present the main NMR observables and parameters that can be computed from simulations, and how they are used in a variety of complementary applications, including dynamics studies, model-free analysis, force field validation, and structural studies.

Automated high-resolution NMR with a sample changer

International Nuclear Information System (INIS)

Wade, C.G.; Johnson, R.D.; Philson, S.B.; Strouse, J.; McEnroe, F.J.

1989-01-01

Within the past two years, it has become possible to obtain high-resolution NMR spectra using automated commercial instrumentation. Software control of all spectrometer functions has reduced most of the tedious manual operations to typing a few computer commands or even making selections from a menu. Addition of an automatic sample changer is the next natural step in improving efficiency and sample throughput; it has a significant (and even unexpected) impact on how NMR laboratories are run and how it is taught. Such an instrument makes even sophisticated experiments routine, so that people with no previous exposure to NMR can run these experiments after a training session of an hour or less. This A/C Interface examines the impact of such instrumentation on both the academic and the industrial laboratory

Safety analysis report for packaging: the ORNL lithium hydroxide fire and impact shield

International Nuclear Information System (INIS)

Evans, J.H.; Eversole, R.E.; Just, R.A.

1977-11-01

The ORNL lithium hydroxide fire and impact shield was designed and fabricated at Oak Ridge National Laboratory to permit the transport of Type B and large quantities of radioactive material and limited quantities of fissionable material. The shield was evaluated analytically and experimentally to determine its compliance with the applicable regulations governing containers in which radioactive and fissile materials are transported, and that evaluation is the subject of this report. Computational and test procedures were used to determine the structural integrity and thermal behavior of the shield relative to the general standards for normal conditions of transport and the standards for the hypothetical accident conditions. The results of the evaluation demonstrate that the shield is in compliance with the applicable regulations

An NMR database for simulations of membrane dynamics.

Science.gov (United States)

Leftin, Avigdor; Brown, Michael F

2011-03-01

Computational methods are powerful in capturing the results of experimental studies in terms of force fields that both explain and predict biological structures. Validation of molecular simulations requires comparison with experimental data to test and confirm computational predictions. Here we report a comprehensive database of NMR results for membrane phospholipids with interpretations intended to be accessible by non-NMR specialists. Experimental ¹³C-¹H and ²H NMR segmental order parameters (S(CH) or S(CD)) and spin-lattice (Zeeman) relaxation times (T(1Z)) are summarized in convenient tabular form for various saturated, unsaturated, and biological membrane phospholipids. Segmental order parameters give direct information about bilayer structural properties, including the area per lipid and volumetric hydrocarbon thickness. In addition, relaxation rates provide complementary information about molecular dynamics. Particular attention is paid to the magnetic field dependence (frequency dispersion) of the NMR relaxation rates in terms of various simplified power laws. Model-free reduction of the T(1Z) studies in terms of a power-law formalism shows that the relaxation rates for saturated phosphatidylcholines follow a single frequency-dispersive trend within the MHz regime. We show how analytical models can guide the continued development of atomistic and coarse-grained force fields. Our interpretation suggests that lipid diffusion and collective order fluctuations are implicitly governed by the viscoelastic nature of the liquid-crystalline ensemble. Collective bilayer excitations are emergent over mesoscopic length scales that fall between the molecular and bilayer dimensions, and are important for lipid organization and lipid-protein interactions. Future conceptual advances and theoretical reductions will foster understanding of biomembrane structural dynamics through a synergy of NMR measurements and molecular simulations. Copyright © 2010 Elsevier B.V. All

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

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)

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.)

Effectiveness of shield materials in the design of the PFBR irradiated fuel subassembly shipping cask

International Nuclear Information System (INIS)

Radhakrishnan, G.

2003-01-01

Fuel subassemblies are irradiated inside the reactor core till they achieve the required burn up and after that they are cooled to permissible decay power level in in-vessel and ex-vessel storage places. Subsequently they are transported to reprocessing plants by means of shipping casks. Shield for the shipping cask has to be designed such a way that it has to comply with the ICRP recommended dose levels of less than 2 mSv/h on contact at the outer surface of the cask and less than 100 mSv/h at 1 m distance from the outer surface of the cask. In this paper, shield design of a typical PFBR irradiated fuel subassembly, which can transport three subassemblies at a time, is narrated. Considering the neutron and fission product and induced gamma rays emitted by typical PFBR irradiated core central subassembly subjected to a maximum burn up, as the source term shield design optimizations have been done. One-dimensional discrete ordinates transport theory computer code ANISN and point kernel computer code QAD-CGGP have been used in complement to carry out the shield design optimizations. Cast-iron, carbon steel, stainless steel 304 and lead and permali have been considered for shield materials. Shield requirements on top, bottom and along the axial height of the shipping cask have also been estimated. (author)

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

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

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.

Program for photon shielding calculations. Examination of approximations on irradiation geometries

International Nuclear Information System (INIS)

Isozumi, Yasuhito; Ishizuka, Fumihiko; Miyatake, Hideo; Kato, Takahisa; Tosaki, Mitsuo

2004-01-01

Penetration factors and related numerical data in 'Manual of Practical Shield Calculation of Radiation Facilities (2000)', which correspond to the irradiation geometries of point isotropic source in infinite thick material (PI), point isotropic source in finite thick material (PF) and vertical incident to finite thick material (VF), have been carefully examined. The shield calculation based on the PI geometry is usually performed with effective dose penetration factors of radioisotopes given in the 'manual'. The present work cleary shows that such a calculation may lead to an overestimate more than twice larger, especially for thick shield of concrete and water. Employing the numerical data in the 'manual', we have fabricated a simple computer program for the estimation of penetration factors and effective doses of radioisotopes in the different irradiation geometries, i.e., PI, PF and VF. The program is also available to calculate the effective dose from a set of radioisotopes in the different positions, which is necessary for the γ-ray shielding of radioisotope facilities. (author)

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

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

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.

SHIELD 1.0: development of a shielding calculator program in diagnostic radiology

International Nuclear Information System (INIS)

Santos, Romulo R.; Real, Jessica V.; Luz, Renata M. da; Friedrich, Barbara Q.; Silva, Ana Maria Marques da

2013-01-01

In shielding calculation of radiological facilities, several parameters are required, such as occupancy, use factor, number of patients, source-barrier distance, area type (controlled and uncontrolled), radiation (primary or secondary) and material used in the barrier. The shielding design optimization requires a review of several options about the physical facility design and, mainly, the achievement of the best cost-benefit relationship for the shielding material. To facilitate the development of this kind of design, a program to calculate the shielding in diagnostic radiology was implemented, based on data and limits established by National Council on Radiation Protection and Measurements (NCRP) 147 and SVS-MS 453/98. The program was developed in C⌗ language, and presents a graphical interface for user data input and reporting capabilities. The module initially implemented, called SHIELD 1.0, refers to calculating barriers for conventional X-ray rooms. The program validation was performed by the comparison with the results of examples of shielding calculations presented in NCRP 147.

Safety analysis report for packaging: the ORNL lithium hydroxide fire and impact shield

International Nuclear Information System (INIS)

Evans, J.H.; Eversole, R.E.; Just, R.A.; Schaich, R.W.

1984-07-01

The ORNL Lithium Hydroxide Fire and Impact Shield and its packaging were designed and fabricated at Oak Ridge National Laboratory to permit the transport of Type B quantities of radioactive material and limited quantities of fissionable material. The shield and its packaging were evaluated analytically and experimentally to determine its compliance with the applicable regulations governing containers in which radioactive and fissile materials are transported, and that evaluation is the subject of this report. Computational and test procedures were used to determine the structural integrity and thermal behavior of the shield relative to the general standards for normal conditions of transport and the standards for the hypothetical accident conditions. The results of the evaluation demonstrate that the shield and its packaging are in compliance with the applicable regulations. 16 references, 8 figures, 5 tables

RadShield: semiautomated shielding design using a floor plan driven graphical user interface.

Science.gov (United States)

DeLorenzo, Matthew C; Wu, Dee H; Yang, Kai; Rutel, Isaac B

2016-09-08

The purpose of this study was to introduce and describe the development of RadShield, a Java-based graphical user interface (GUI), which provides a base design that uniquely performs thorough, spatially distributed calculations at many points and reports the maximum air-kerma rate and barrier thickness for each barrier pursuant to NCRP Report 147 methodology. Semiautomated shielding design calculations are validated by two approaches: a geometry-based approach and a manual approach. A series of geometry-based equations were derived giv-ing the maximum air-kerma rate magnitude and location through a first derivative root finding approach. The second approach consisted of comparing RadShield results with those found by manual shielding design by an American Board of Radiology (ABR)-certified medical physicist for two clinical room situations: two adjacent catheterization labs, and a radiographic and fluoroscopic (R&F) exam room. RadShield's efficacy in finding the maximum air-kerma rate was compared against the geometry-based approach and the overall shielding recommendations by RadShield were compared against the medical physicist's shielding results. Percentage errors between the geometry-based approach and RadShield's approach in finding the magnitude and location of the maximum air-kerma rate was within 0.00124% and 14 mm. RadShield's barrier thickness calculations were found to be within 0.156 mm lead (Pb) and 0.150 mm lead (Pb) for the adjacent catheteriza-tion labs and R&F room examples, respectively. However, within the R&F room example, differences in locating the most sensitive calculation point on the floor plan for one of the barriers was not considered in the medical physicist's calculation and was revealed by the RadShield calculations. RadShield is shown to accurately find the maximum values of air-kerma rate and barrier thickness using NCRP Report 147 methodology. Visual inspection alone of the 2D X-ray exam distribution by a medical physicist may not

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

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.

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)

Intermolecular Interactions in Crystalline Theobromine as Reflected in Electron Deformation Density and (13)C NMR Chemical Shift Tensors.

Science.gov (United States)

Bouzková, Kateřina; Babinský, Martin; Novosadová, Lucie; Marek, Radek

2013-06-11

An understanding of the role of intermolecular interactions in crystal formation is essential to control the generation of diverse crystalline forms which is an important concern for pharmaceutical industry. Very recently, we reported a new approach to interpret the relationships between intermolecular hydrogen bonding, redistribution of electron density in the system, and NMR chemical shifts (Babinský et al. J. Phys. Chem. A, 2013, 117, 497). Here, we employ this approach to characterize a full set of crystal interactions in a sample of anhydrous theobromine as reflected in (13)C NMR chemical shift tensors (CSTs). The important intermolecular contacts are identified by comparing the DFT-calculated NMR CSTs for an isolated theobromine molecule and for clusters composed of several molecules as selected from the available X-ray diffraction data. Furthermore, electron deformation density (EDD) and shielding deformation density (SDD) in the proximity of the nuclei involved in the proposed interactions are calculated and visualized. In addition to the recently reported observations for hydrogen bonding, we focus here particularly on the stacking interactions. Although the principal relations between the EDD and CST for hydrogen bonding (HB) and stacking interactions are similar, the real-space consequences are rather different. Whereas the C-H···X hydrogen bonding influences predominantly and significantly the in-plane principal component of the (13)C CST perpendicular to the HB path and the C═O···H hydrogen bonding modulates both in-plane components of the carbonyl (13)C CST, the stacking modulates the out-of-plane electron density resulting in weak deshielding (2-8 ppm) of both in-plane principal components of the CST and weak shielding (∼ 5 ppm) of the out-of-plane component. The hydrogen-bonding and stacking interactions may add to or subtract from one another to produce total values observed experimentally. On the example of theobromine, we demonstrate

Quantum-Chemical Approach to NMR Chemical Shifts in Paramagnetic Solids Applied to LiFePO4 and LiCoPO4.

Science.gov (United States)

Mondal, Arobendo; Kaupp, Martin

2018-04-05

A novel protocol to compute and analyze NMR chemical shifts for extended paramagnetic solids, accounting comprehensively for Fermi-contact (FC), pseudocontact (PC), and orbital shifts, is reported and applied to the important lithium ion battery cathode materials LiFePO 4 and LiCoPO 4 . Using an EPR-parameter-based ansatz, the approach combines periodic (hybrid) DFT computation of hyperfine and orbital-shielding tensors with an incremental cluster model for g- and zero-field-splitting (ZFS) D-tensors. The cluster model allows the use of advanced multireference wave function methods (such as CASSCF or NEVPT2). Application of this protocol shows that the 7 Li shifts in the high-voltage cathode material LiCoPO 4 are dominated by spin-orbit-induced PC contributions, in contrast with previous assumptions, fundamentally changing interpretations of the shifts in terms of covalency. PC contributions are smaller for the 7 Li shifts of the related LiFePO 4 , where FC and orbital shifts dominate. The 31 P shifts of both materials finally are almost pure FC shifts. Nevertheless, large ZFS contributions can give rise to non-Curie temperature dependences for both 7 Li and 31 P shifts.

Accelerator shield design of KIPT neutron source facility

International Nuclear Information System (INIS)

Zhong, Z.; Gohar, Y.

2013-01-01

Argonne National Laboratory (ANL) of the United States and Kharkov Institute of Physics and Technology (KIPT) of Ukraine have been collaborating on the design development of a neutron source facility at KIPT utilizing an electron-accelerator-driven subcritical assembly. Electron beam power is 100 kW, using 100 MeV electrons. The facility is designed to perform basic and applied nuclear research, produce medical isotopes, and train young nuclear specialists. The biological shield of the accelerator building is designed to reduce the biological dose to less than 0.5-mrem/hr during operation. The main source of the biological dose is the photons and the neutrons generated by interactions of leaked electrons from the electron gun and accelerator sections with the surrounding concrete and accelerator materials. The Monte Carlo code MCNPX serves as the calculation tool for the shield design, due to its capability to transport electrons, photons, and neutrons coupled problems. The direct photon dose can be tallied by MCNPX calculation, starting with the leaked electrons. However, it is difficult to accurately tally the neutron dose directly from the leaked electrons. The neutron yield per electron from the interactions with the surrounding components is less than 0.01 neutron per electron. This causes difficulties for Monte Carlo analyses and consumes tremendous computation time for tallying with acceptable statistics the neutron dose outside the shield boundary. To avoid these difficulties, the SOURCE and TALLYX user subroutines of MCNPX were developed for the study. The generated neutrons are banked, together with all related parameters, for a subsequent MCNPX calculation to obtain the neutron and secondary photon doses. The weight windows variance reduction technique is utilized for both neutron and photon dose calculations. Two shielding materials, i.e., heavy concrete and ordinary concrete, were considered for the shield design. The main goal is to maintain the total

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

Evaluation of the shielding integrity of end-shields in PHWR type NPPs

International Nuclear Information System (INIS)

Sah, B.M.L.; Ramamirtham, B.; Kutty, B.S.

1996-01-01

In the new plants (Narora Atomic Power Plants (NAPP) onwards) relatively higher radiation fields exist on the north and south fuelling machine (FM) vault walls of the E1 100m accessible area passages. These fields were first noticed at NAPS-1 and subsequently at NAPS-2 and KAPS-1. Such surveys done at RAPS have indicated that the fields on these walls would come out to be quite low (only 1-2 mR/h) from sources other than that arising from 41 Ar contamination. RAPS/MAPS experience pointed to adequacy of shielding of the FM vault walls and sufficient overall shielding thickness of the end-shields. Further, radiometry tests of end-shields carried out at Kaiga and RAPP 3 and 4 indicated fairly satisfactory and uniform filling of balls. Hence, incomplete filling of water column of the end-shields due to any venting problem was suspected to be one possible reason for the observed high fields in NAPS and Kakrapar Atomic Power Station (KAPS). Since the presence of high radiation fields, both neutron and gamma, is of long-term concern, a special study/measurement of radiation levels on reactor face during high power operation was undertaken. In order to compare the shielding integrity of the older (RAPS/MAPS solid plate type shielding) and newer (NAPS/KAPS steel ball-filled type) end shields, these experiments were done at MAPS-2 and NAPS-2. (author). 2 refs., 2 tabs

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.

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)

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)

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.)

Monte Carlo simulation of photon buildup factors for shielding materials in diagnostic x-ray facilities

International Nuclear Information System (INIS)

Kharrati, Hedi; Agrebi, Amel; Karoui, Mohamed Karim

2012-01-01

Purpose: A simulation of buildup factors for ordinary concrete, steel, lead, plate glass, lead glass, and gypsum wallboard in broad beam geometry for photons energies from 10 keV to 150 keV at 5 keV intervals is presented. Methods: Monte Carlo N-particle radiation transport computer code has been used to determine the buildup factors for the studied shielding materials. Results: An example concretizing the use of the obtained buildup factors data in computing the broad beam transmission for tube potentials at 70, 100, 120, and 140 kVp is given. The half value layer, the tenth value layer, and the equilibrium tenth value layer are calculated from the broad beam transmission for these tube potentials. Conclusions: The obtained values compared with those calculated from the published data show the ability of these data to predict shielding transmission curves. Therefore, the buildup factors data can be combined with primary, scatter, and leakage x-ray spectra to provide a computationally based solution to broad beam transmission for barriers in shielding x-ray facilities.

Monte Carlo simulation of photon buildup factors for shielding materials in diagnostic x-ray facilities.

Science.gov (United States)

Kharrati, Hedi; Agrebi, Amel; Karoui, Mohamed Karim

2012-10-01

A simulation of buildup factors for ordinary concrete, steel, lead, plate glass, lead glass, and gypsum wallboard in broad beam geometry for photons energies from 10 keV to 150 keV at 5 keV intervals is presented. Monte Carlo N-particle radiation transport computer code has been used to determine the buildup factors for the studied shielding materials. An example concretizing the use of the obtained buildup factors data in computing the broad beam transmission for tube potentials at 70, 100, 120, and 140 kVp is given. The half value layer, the tenth value layer, and the equilibrium tenth value layer are calculated from the broad beam transmission for these tube potentials. The obtained values compared with those calculated from the published data show the ability of these data to predict shielding transmission curves. Therefore, the buildup factors data can be combined with primary, scatter, and leakage x-ray spectra to provide a computationally based solution to broad beam transmission for barriers in shielding x-ray facilities.

Complete 1H NMR spectral analysis of ten chemical markers of Ginkgo biloba

OpenAIRE

Napolitano, José G.; Lankin, David C.; Chen, Shao-Nong; Pauli, Guido F.

2012-01-01

The complete and unambiguous 1H NMR assignments of ten marker constituents of Ginkgo biloba are described. The comprehensive 1H NMR profiles (fingerprints) of ginkgolide A, ginkgolide B, ginkgolide C, ginkgolide J, bilobalide, quercetin, kaempferol, isorhamnetin, isoquercetin, and rutin in DMSO-d6 were obtained through the examination of 1D 1H NMR and 2D 1H,1H-COSY data, in combination with 1H iterative Full Spin Analysis (HiFSA). The computational analysis of discrete spin systems allowed a ...

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.

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;

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

Advanced methodologies of evaluating the radiation sources and ionising radiation shieldings for reducing the irradiation in nuclear field personnel

International Nuclear Information System (INIS)

Pantazi, D.; Mateescu, S.; Stanciu, M.

2003-01-01

One of the technical measures of protection against ionizing radiations is the radiation shielding. The process of implementing modern and efficient methods of evaluating the radiation shielding implies advanced calculation methods. That means using from simpler 1-D or 2-D computing codes such as MicroShield or QAD up to systems of codes such as SCALE (containing several independent modules) or the Monte Carlo multipurpose and many particles, MCNP, transport code. The main objective of this work is to present the Monte Carlo based evaluation of the dose rates from the CANDU type spent fuel all along the path of its handling up to intermediate storage. These values will be then compared with the values obtained from calculations with different computing programs. To obtain this objective two problems were approached: - establishing geometrical models according to the definition used by MCNP code so that the characteristics of CANDU type nuclear fuel are taking into account; - checking the validity of the proposed models by comparing the MCNP results with those obtained with other computing codes specific for shielding evaluation and radiation dose calculation

Material shielding of power frequency magnetic fields: Research and testing results from the EPRI Power Delivery Center-Lenox. Final report

International Nuclear Information System (INIS)

Anderson, C.B.

1998-06-01

Extensive investigations of a variety of material shielding methods have been performed at the EPRI Power Delivery Center--Lenox, Massachusetts. This work is part of a larger shielding investigation being done for EPRI by Electric Research and Management, Inc. (ERM) as part of the Magnetic Field Management Target in the EPRI Environment Group. Part of this work, involving cylinders of material, is to be included in a shielding handbook being prepared by ERM. Material shielding tests, not included in the handbook, as well as additional material shielding research, including testing, analyses, and computer simulations performed at the EPRI Power Delivery Center--Lenox are documented here. One of the major complications of using materials to shield magnetic fields is the mathematical complexity of the phenomenon involved. The result is that analytical solutions exist only for a very small number of simple geometries such as spheres, infinitely long cylinders, and infinite sheets. In practice, the materials typically come in the form of sheets. At present, there are no analytical methods for directly determining the shielding effectiveness of finite sheets of material, however, EPRI is sponsoring work in this area. There are some methods based on conformal mapping which can provide a solution for simple two-dimensional sheets. While such methods are useful in gaining insight into the mechanisms of shielding, they are not realistic enough to provide accurate shielding estimates. Empirical techniques are still required to determine the shielding effectiveness of material sheets. The material shielding tests and computer simulations are described in the report. The results of these tests and simulations have been used to develop a number of material shielding design rules for use in practical applications

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.)

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

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 , ...)

Efficient heterogeneous execution of Monte Carlo shielding calculations on a Beowulf cluster

International Nuclear Information System (INIS)

Dewar, D.; Hulse, P.; Cooper, A.; Smith, N.

2005-01-01

Recent work has been done in using a high-performance 'Beowulf' cluster computer system for the efficient distribution of Monte Carlo shielding calculations. This has enabled the rapid solution of complex shielding problems at low cost and with greater modularity and scalability than traditional platforms. The work has shown that a simple approach to distributing the workload is as efficient as using more traditional techniques such as PVM (Parallel Virtual Machine). In addition, when used in an operational setting this technique is fairer with the use of resources than traditional methods, in that it does not tie up a single computing resource but instead shares the capacity with other tasks. These developments in computing technology have enabled shielding problems to be solved that would have taken an unacceptably long time to run on traditional platforms. This paper discusses the BNFL Beowulf cluster and a number of tests that have recently been run to demonstrate the efficiency of the asynchronous technique in running the MCBEND program. The BNFL Beowulf currently consists of 84 standard PCs running RedHat Linux. Current performance of the machine has been estimated to be between 40 and 100 Gflop s -1 . When the whole system is employed on one problem up to four million particles can be tracked per second. There are plans to review its size in line with future business needs. (authors)

Radiation attenuation by lead and nonlead materials used in radiation shielding garments

International Nuclear Information System (INIS)

McCaffrey, J. P.; Shen, H.; Downton, B.; Mainegra-Hing, E.

2007-01-01

The attenuating properties of several types of lead (Pb)-based and non-Pb radiation shielding materials were studied and a correlation was made of radiation attenuation, materials properties, calculated spectra and ambient dose equivalent. Utilizing the well-characterized x-ray and gamma ray beams at the National Research Council of Canada, air kerma measurements were used to compare a variety of commercial and pre-commercial radiation shielding materials over mean energy ranges from 39 to 205 keV. The EGSnrc Monte Carlo user code cavity.cpp was extended to provide computed spectra for a variety of elements that have been used as a replacement for Pb in radiation shielding garments. Computed air kerma values were compared with experimental values and with the SRS-30 catalogue of diagnostic spectra available through the Institute of Physics and Engineering in Medicine Report 78. In addition to garment materials, measurements also included pure Pb sheets, allowing direct comparisons to the common industry standards of 0.25 and 0.5 mm 'lead equivalent'. The parameter 'lead equivalent' is misleading, since photon attenuation properties for all materials (including Pb) vary significantly over the energy spectrum, with the largest variations occurring in the diagnostic imaging range. Furthermore, air kerma measurements are typically made to determine attenuation properties without reference to the measures of biological damage such as ambient dose equivalent, which also vary significantly with air kerma over the diagnostic imaging energy range. A single material or combination cannot provide optimum shielding for all energy ranges. However, appropriate choice of materials for a particular energy range can offer significantly improved shielding per unit mass over traditional Pb-based materials

Evaluation of ilmenite serpentine concrete and ordinary concrete as nuclear reactor shielding

International Nuclear Information System (INIS)

Abulfaraj, W.H.; Kamal, S.M.

1994-01-01

The present study involves adapting a formal decision methodology to the selection of alternative nuclear reactor concrete shielding. Multiattribute utility theory is selected to accommodate decision maker's preferences. Multiattribute utility theory (MAU) is here employed to evaluate two appropriate nuclear reactor shielding concretes in terms of effectiveness to determine the optimal choice in order to meet the radiation protection regulations. These concretes are Ordinary concrete (O.C.) and Illmenite Serpentile concrete (I.S.C.). These are normal weight concrete and heavy weight heat resistive concrete, respectively. The effectiveness objective of the nuclear reactor shielding is defined and structured into definite attributes and subattributes to evaluate the best alternative. Factors affecting the decision are dose received by reactor's workers, the material properties as well as cost of concrete shield. A computer program is employed to assist in performing utility analysis. Based upon data, the result shows the superiority of Ordinary concrete over Illmenite Serpentine concrete. (Author)

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)

Magnetic shielding for FEL microwave electric field diagnostic in MTX tokamak

International Nuclear Information System (INIS)

Yamada, Shinichi; Odajima, Kazuo; Ishida, Hiroyasu

1991-07-01

A diagnostic system for measurement of microwave electric field from free electron laser (FEL) is in preparation at JAERI under JAERI-DOE collaborative program in the Microwave Tokamak Experiment (MTX) being held at Lawrence Livermore National Laboratory in U.S.A.. That is called LAPPS (Laser Aided Particle Probe Spectroscopy). This is consist of helium neutral beam source, a dye laser and viewing optics. It is required that 1000 gauss of the magnetic field must be shielded to less than 1 gauss in order to operate these LAPPS components. New high performance soft ferrous magnetic material 'FERROPERM' and PERMALLOY are used on this purpose. This paper proposes a new method to estimate a required thickness of the magnetic shielding in a saturated region of B-H curve, that is, 'magnetic shielding calculation by Virtual Divided Layers Method (VDLM)', where the shielding layer is virtually divided in many layers in the calculation. The results are compared with a computer simulation using 'three dimensional static magnetic field code' and with experimental results in a uniform static field. (author)

Radiation shielding analysis of medical cyclotron at Radiation Medicine Centre, Parel

International Nuclear Information System (INIS)

Gathibandhe, M.V.; Agrawal, R.A.; Utge, C.G.

2003-01-01

Full text: PET (Positron Emission Tomography) is a diagnostic method to obtain 3-D functional images of the distribution of radio-nuclides introduced in the human body as tracers for specific biological processes. Tracers are produced by bombardment of different target nuclides by protons and deuterons of high energy produced in the cyclotron. A Wipro-GE medical cyclotron was installed in the basement of RMC, Parel. Shielding around the cyclotron is provided in the form of borated concrete walls of required thickness to limit dose rates to design values as per AERB criteria. The roof of the cyclotron room is made of heavy concrete. Entry in to the room is through a maze. Shielding analysis for the cyclotron room has been carried out using computer code ANISN. The maze has been analyzed using code MCNP. Based on the analysis carried out additional shielding was recommended to meet the design requirements. The paper discusses the shielding analysis carried out for the cyclotron room and the maze. Dose rate estimated at various locations are highlighted

Recent trends on NMR imaging in UK and USA

Energy Technology Data Exchange (ETDEWEB)

Endo, Masahiro [National Inst. of Radiological Sciences, Chiba (Japan)

1981-12-01

The development of nuclear magnetic resonance (NMR) by major research centers and manufacturers is reviewed. The spin warp method is used at Aberdeen University, and the T1 images of esophageal cancer and hepatic metastasis obtained by this method are shown. The Moore group at Nottingham University developed an instrument to scan the head region, and it produces spatial resolution comparable to x-ray computed tomography. The transverse image of the thorax obtained by the QED-80 developed by FONAR (U.S.A.) is shown. It uses field focusing NMR, and can measure spin density, T1, T2 and NMR spectrum, but its precision is slightly lowered because fewer proton spins are activated. These methods all measure the proton distribution in vivo, but with the TMR developed by Oxford Research Co. (U.K.) high resolution spectra of phosphorus 31 compounds can be obtained. The NMR spectra obtained for the phosphorus compounds in the muscle is shown. The rate of the phosphorus compounds such as ATP, ADP creatine phosphate and inorganic phosphate are markedly changed by exercise or depending on the blood flow.

Nondestructive NMR technique for moisture determination in radioactive materials

International Nuclear Information System (INIS)

Aumeier, S.; Gerald, R.E. II; Growney, E.; Nunez, L.; Kaminski, M.

1998-01-01

This progress report focuses on experimental and computational studies used to evaluate nuclear magnetic resonance (NMR) spectroscopy and magnetic resonance imaging (MRI) for detecting, quantifying, and monitoring hydrogen and other magnetically active nuclei ( 3 H, 3 He, 239 Pu, 241 Pu) in Spent nuclear fuels and packaging materials. The detection of moisture by using a toroid cavity NMR imager has been demonstrated in SiO 2 and UO 2 systems. The total moisture was quantified by means of 1 H NMR detection of H 2 O with a sensitivity of 100 ppm. In addition, an MRI technique that was used to determine the moisture distribution also enabled investigators to discriminate between bulk and stationary water sorbed on the particles. This imaging feature is unavailable in any other nondestructive assay (NDA) technique. Following the initial success of this program, the NMR detector volume was scaled up from the original design by a factor of 2000. The capacity of this detector exceeds the size specified by DOE-STD-3013-96

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)

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)

ICRS1, Proceedings of the First Radiation Shielding Symposium, Cambridge, UK 1958

International Nuclear Information System (INIS)

Goebelbecker, Hans-Juergen

2008-01-01

Description: The papers of the European Atomic Energy Society Symposium VI-58 on radiation shielding (ICRS1) held at Caius College, Cambridge England from 26 to 29 August 1958 are collected here for the first time in electronic form. This symposium was organised in connection with the Second Atoms for Peace Conference held in Geneva Held in Geneva from 1 to 13 September 1958. The Topics discussed covered gamma rays and neutron radiation; the Methods discussed were analytical approaches, semi-empirical Methods, simple computer codes, Monte Carlo method. Little quality nuclear data for shielding calculations was available and the presentations would concentrate on removal cross-sections and build-up factors. Experimental techniques in support to estimate the effective shielding properties of materials were discussed such as general experimental shielding techniques and experiments on neutron attenuation in different materials and on concrete as shield. Foil detectors for spectra measurements and determination of dose rates were mainly used. The typical issues addressed were gamma-heating, gamma spectra, neutron induced gammas, fission products gamma spectra, skyshine radiation and neutron ducts - streaming. Most participants were researchers from the naval and aeronautics sector

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)

Accurate, fully-automated NMR spectral profiling for metabolomics.

Directory of Open Access Journals (Sweden)

Siamak Ravanbakhsh

Full Text Available Many diseases cause significant changes to the concentrations of small molecules (a.k.a. metabolites that appear in a person's biofluids, which means such diseases can often be readily detected from a person's "metabolic profile"-i.e., the list of concentrations of those metabolites. This information can be extracted from a biofluids Nuclear Magnetic Resonance (NMR spectrum. However, due to its complexity, NMR spectral profiling has remained manual, resulting in slow, expensive and error-prone procedures that have hindered clinical and industrial adoption of metabolomics via NMR. This paper presents a system, BAYESIL, which can quickly, accurately, and autonomously produce a person's metabolic profile. Given a 1D 1H NMR spectrum of a complex biofluid (specifically serum or cerebrospinal fluid, BAYESIL can automatically determine the metabolic profile. This requires first performing several spectral processing steps, then matching the resulting spectrum against a reference compound library, which contains the "signatures" of each relevant metabolite. BAYESIL views spectral matching as an inference problem within a probabilistic graphical model that rapidly approximates the most probable metabolic profile. Our extensive studies on a diverse set of complex mixtures including real biological samples (serum and CSF, defined mixtures and realistic computer generated spectra; involving > 50 compounds, show that BAYESIL can autonomously find the concentration of NMR-detectable metabolites accurately (~ 90% correct identification and ~ 10% quantification error, in less than 5 minutes on a single CPU. These results demonstrate that BAYESIL is the first fully-automatic publicly-accessible system that provides quantitative NMR spectral profiling effectively-with an accuracy on these biofluids that meets or exceeds the performance of trained experts. We anticipate this tool will usher in high-throughput metabolomics and enable a wealth of new applications of

[Derivative spectrophotometric and NMR spectroscopic study in pharmaceutical science].

Science.gov (United States)

Kitamura, Keisuke

2007-10-01

This review starts with an introduction of derivative spectrophotometry followed by a description on the construction of a personal computer-assisted derivative spectrophotometric (DS) system. An acquisition system for inputting digitalized absorption spectra into personal computers and a BASIC program for calculating derivative spectra were developed. Then, applications of the system to drug analyses that are difficult with traditional absorption methods are described. Following this, studies on the interactions of drugs with biological macromolecules by the DS and NMR methods were discussed. An (1)H NMR study elucidated that the small unilamellar vesicle (SUV) has a single membrane made of a phosphatidylcholine bilayer, and that chlorpromazine interacts with both the outer and inner layers. (13)C NMR revealed a reduction of the dissociation constants of phenothiazine drugs due to their interaction with SUV. The partition coefficients of phenothiazine, benzodiazepine and steroid drugs in an SUV-water system and the effects of cholesterol or amino lipids content on these partition coefficients were examined by the DS method. The binding constants of phenothiazine drugs to bovine serum albumin (BSA) and the influence of Na(+), K(+), Cl(-), Br(-), and I(-) on these binding constants were determined by DS. It was found that I(-), Br(-), Cl(-) reduce the binding constants in this order, and that Na(+) and K(+) have no effect. A (19)F NMR study revealed that triflupromazine binds to BSA and human serum albumin in two regions including Site II with different populations, and that a nonsteroidal anti-inflammatory drug, niflumic acid, binds Sites Ia and Ib.

DAMARIS – a flexible and open software platform for NMR spectrometer control

OpenAIRE

Gädke, Achim; Rosenstihl, Markus; Schmitt, Christopher; Stork, Holger; Nestle, Nikolaus

2016-01-01

Home-built NMR spectrometers with self-written control software have a long tradition in porous media research. Advantages of such spectrometers are not just lower costs but also more flexibility in developing new experiments (while commercial NMR systems are typically optimized for standard applications such as spectroscopy, imaging or quality control applications). Increasing complexity of computer operating systems, higher expectations with respect to user-friendliness and graphical use...

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

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.

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

The application of semianalytic method for calculating the thickness of biological shields of nuclear reactors. Part 2. Attenuation of gamma rays. An example of shield's thickness calculation

International Nuclear Information System (INIS)

Lukaszek, W.; Kucypera, S.

1982-01-01

The semianalytic method was used for calculating the attenuation of gamma rays and the thickness of biological shield of graphite moderated reactor. A short description of computer code as well as the exemplary results of calculations are given. (A.S.)

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

A personal computer-based nuclear magnetic resonance spectrometer

Science.gov (United States)

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

1994-11-01

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

Study of x-ray medical mitigation with lead and aluminium shield

International Nuclear Information System (INIS)

Malheiros, Emiliane A.; Ramos, Roberto Paulo B.; Oliveira, Ezequias Fernandes

2016-01-01

In this work, lead and aluminum as shielding materials and their variations in the spectra emitted by the X-ray equipment through the use of a computer program that determines the photon fluence . The study of the primary beam for power spectra used in the practice of diagnostic radiology allows you to analyze data representative of the average transmission and fluency for the studied materials. So we seek to analyze the transmission curves of lead and aluminum, as well as its influence on the thickness of shielding and changing the radiation spectrum characteristics X in the transmission of photons. (author)

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''

μShield : Configurable Code-Reuse Attacks Mitigation For Embedded Systems

NARCIS (Netherlands)

Abbasi, Ali; Wetzels, Jos; Bokslag, Wouter; Zambon, Emmanuele; Etalle, Sandro; Yan, Zheng; Molva, Refik; Mazurczyk, Wojciech; Kantola, Raimo

2017-01-01

Embedded devices are playing a major role in our way of life. Similar to other computer systems embedded devices are vulnerable to code-reuse attacks. Compromising these devices in a critical environment constitute a significant security and safety risk. In this paper, we present μShield, a memory

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)

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

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

Implementation of Associated Hermite FDTD Method in Handling INBCs for Shielding Analysis

Directory of Open Access Journals (Sweden)

Lihua Shi

2016-01-01

Full Text Available For modeling of electrically thin conductive shields, the unconditionally stable Associated Hermite (AH FDTD scheme is combined with the impedance network boundary conditions (INBCs in this paper. The two-port network equations of INBCs in frequency domain are transformed into AH domain to represent the relationship of tangential components of the electric and magnetic fields at faces of the shield. The established AH-INBCs shielding boundaries are incorporated into a set of implicit equations to calculate the expansion coefficients vectors of electromagnetic fields in the computational domain. The method is free of CFL condition and no convolution integral operation for solving the conventional INBCs-FDTD is involved. Numerical example shows that, compared with analytical solutions and conventional FDTD method, the proposed algorithm is efficient and accurate.

LOFT shield tank steady state temperatures with addition of gamma and neutron shielding

International Nuclear Information System (INIS)

Kyllingstad, G.

1977-01-01

The effect of introducing a neutron and gamma shield into the annulus between the reactor vessel and the shield tank is analyzed. This addition has been proposed in order to intercept neutron streaming up the annulus during nuclear operations. Its installation will require removal of approximately 20- 1 / 2 inches of stainless steel foil insulation at the top of the annulus. The resulting conduction path is believed to result in increased water temperatures within the shield tank, possibly beyond the 150 0 F limit, and/or cooling of the reactor vessel nozzles such that adverse thermal stresses would be generated. A two dimensional thermal analysis using the finite element code COUPLE/MOD2 was done for the shield tank system illustrated in the figure (1). The reactor was assumed to be at full power, 55 MW (th), with a loop flow rate of 2.15 x 10 6 lbm/hr (268.4 kg/s) at 2250 psi (15.51 MPa). Calculations indicate a steady state shield tank water temperature of 140 0 F (60 0 C). This is below the 150 0 F (65.56 0 C) limit. Also, no significant changes in thermal gradients within the nozzle or reactor vessel wall are generated. A spacer between the gamma shield and the shield tank is recommended, however, in order to ensure free air circulation through the annulus

Review of criticality safety and shielding analysis issues for transportation packages

International Nuclear Information System (INIS)

Parks, C.V.; Broadhead, B.L.

1995-01-01

The staff of the Nuclear Engineering Applications Section (NEAS) at Oak Ridge National Laboratory (ORNL) have been involved for over 25 years with the development and application of computational tools for use in analyzing the criticality safety and shielding features of transportation packages carrying radioactive material (RAM). The majority of the computational tools developed by ORNL/NEAS have been included within the SCALE modular code system (SCALE 1995). This code system has been used throughout the world for the evaluation of nuclear facility and package designs. With this development and application experience as a basis, this paper highlights a number of criticality safety and shielding analysis issues that confront the designer and reviewer of a new RAM package. Changes in the types and quantities of material that need to be shipped will keep these issues before the technical community and provide challenges to future package design and certification

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)

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.)

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)

Automated sample preparation station for studying self-diffusion in porous solids with NMR spectroscopy

Science.gov (United States)

Hedin, Niklas; DeMartin, Gregory J.; Reyes, Sebastián C.

2006-03-01

In studies of gas diffusion in porous solids with nuclear magnetic resonance (NMR) spectroscopy the sample preparation procedure becomes very important. An apparatus is presented here that pretreats the sample ex situ and accurately sets the desired pressure and temperature within the NMR tube prior to its introduction in the spectrometer. The gas manifold that supplies the NMR tube is also connected to a microbalance containing another portion of the same sample, which is kept at the same temperature as the sample in the NMR tube. This arrangement permits the simultaneous measurement of the adsorption loading on the sample, which is required for the interpretation of the NMR diffusion experiments. Furthermore, to ensure a good seal of the NMR tube, a hybrid valve design composed of titanium, a Teflon® seat, and Kalrez® O-rings is utilized. A computer controlled algorithm ensures the accuracy and reproducibility of all the procedures, enabling the NMR diffusion experiments to be performed at well controlled conditions of pressure, temperature, and amount of gas adsorbed on the porous sample.

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

Complete 1H NMR spectral analysis of ten chemical markers of Ginkgo biloba.

Science.gov (United States)

Napolitano, José G; Lankin, David C; Chen, Shao-Nong; Pauli, Guido F

2012-08-01

The complete and unambiguous (1)H NMR assignments of ten marker constituents of Ginkgo biloba are described. The comprehensive (1)H NMR profiles (fingerprints) of ginkgolide A, ginkgolide B, ginkgolide C, ginkgolide J, bilobalide, quercetin, kaempferol, isorhamnetin, isoquercetin, and rutin in DMSO-d(6) were obtained through the examination of 1D (1)H NMR and 2D (1)H,(1)H-COSY data, in combination with (1)H iterative full spin analysis (HiFSA). The computational analysis of discrete spin systems allowed a detailed characterization of all the (1)H NMR signals in terms of chemical shifts (δ(H)) and spin-spin coupling constants (J(HH)), regardless of signal overlap and higher order coupling effects. The capability of the HiFSA-generated (1)H fingerprints to reproduce experimental (1)H NMR spectra at different field strengths was also evaluated. As a result of this analysis, a revised set of (1)H NMR parameters for all ten phytoconstituents was assembled. Furthermore, precise (1)H NMR assignments of the sugar moieties of isoquercetin and rutin are reported for the first time. Copyright © 2012 John Wiley & Sons, Ltd.

Survey of radiation protection, radiation transport, and shielding information needs of the nuclear power industry. Final report

International Nuclear Information System (INIS)

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

1976-04-01

The Radiation Shielding Information Center (RSIC) is engaged in a program to seek out, organize, and disseminate information in the area of radiation transport, shielding, and radiation protection. This information consists of published literature, nuclear data, and computer codes and advanced analytical techniques required by ERDA, its contractors, and the nuclear power industry to improve radiation analysis and computing capability. Information generated in this effort becomes a part of the RSIC collection and/or data base. The purpose of this report on project 219-1 is to document the results of the survey of information and computer code needs of the nuclear power industry in the area of radiation analysis and protection

Survey of radiation protection, radiation transport, and shielding information needs of the nuclear power industry. Final report

Energy Technology Data Exchange (ETDEWEB)

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

1976-04-01

The Radiation Shielding Information Center (RSIC) is engaged in a program to seek out, organize, and disseminate information in the area of radiation transport, shielding, and radiation protection. This information consists of published literature, nuclear data, and computer codes and advanced analytical techniques required by ERDA, its contractors, and the nuclear power industry to improve radiation analysis and computing capability. Information generated in this effort becomes a part of the RSIC collection and/or data base. The purpose of this report on project 219-1 is to document the results of the survey of information and computer code needs of the nuclear power industry in the area of radiation analysis and protection.

Continuous Energy, Multi-Dimensional Transport Calculations for Problem Dependent Resonance Self-Shielding

International Nuclear Information System (INIS)

Downar, T.

2009-01-01

The overall objective of the work here has been to eliminate the approximations used in current resonance treatments by developing continuous energy multi-dimensional transport calculations for problem dependent self-shielding calculations. The work here builds on the existing resonance treatment capabilities in the ORNL SCALE code system. The overall objective of the work here has been to eliminate the approximations used in current resonance treatments by developing continuous energy multidimensional transport calculations for problem dependent self-shielding calculations. The work here builds on the existing resonance treatment capabilities in the ORNL SCALE code system. Specifically, the methods here utilize the existing continuous energy SCALE5 module, CENTRM, and the multi-dimensional discrete ordinates solver, NEWT to develop a new code, CENTRM( ) NEWT. The work here addresses specific theoretical limitations in existing CENTRM resonance treatment, as well as investigates advanced numerical and parallel computing algorithms for CENTRM and NEWT in order to reduce the computational burden. The result of the work here will be a new computer code capable of performing problem dependent self-shielding analysis for both existing and proposed GENIV fuel designs. The objective of the work was to have an immediate impact on the safety analysis of existing reactors through improvements in the calculation of fuel temperature effects, as well as on the analysis of more sophisticated GENIV/NGNP systems through improvements in the depletion/transmutation of actinides for Advanced Fuel Cycle Initiatives.

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

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...

NMRFx Processor: a cross-platform NMR data processing program

International Nuclear Information System (INIS)

Norris, Michael; Fetler, Bayard; Marchant, Jan; Johnson, Bruce A.

2016-01-01

NMRFx Processor is a new program for the processing of NMR data. Written in the Java programming language, NMRFx Processor is a cross-platform application and runs on Linux, Mac OS X and Windows operating systems. The application can be run in both a graphical user interface (GUI) mode and from the command line. Processing scripts are written in the Python programming language and executed so that the low-level Java commands are automatically run in parallel on computers with multiple cores or CPUs. Processing scripts can be generated automatically from the parameters of NMR experiments or interactively constructed in the GUI. A wide variety of processing operations are provided, including methods for processing of non-uniformly sampled datasets using iterative soft thresholding. The interactive GUI also enables the use of the program as an educational tool for teaching basic and advanced techniques in NMR data analysis.

NMRFx Processor: a cross-platform NMR data processing program

Energy Technology Data Exchange (ETDEWEB)

Norris, Michael; Fetler, Bayard [One Moon Scientific, Inc. (United States); Marchant, Jan [University of Maryland Baltimore County, Howard Hughes Medical Institute (United States); Johnson, Bruce A., E-mail: bruce.johnson@asrc.cuny.edu [One Moon Scientific, Inc. (United States)

2016-08-15

NMRFx Processor is a new program for the processing of NMR data. Written in the Java programming language, NMRFx Processor is a cross-platform application and runs on Linux, Mac OS X and Windows operating systems. The application can be run in both a graphical user interface (GUI) mode and from the command line. Processing scripts are written in the Python programming language and executed so that the low-level Java commands are automatically run in parallel on computers with multiple cores or CPUs. Processing scripts can be generated automatically from the parameters of NMR experiments or interactively constructed in the GUI. A wide variety of processing operations are provided, including methods for processing of non-uniformly sampled datasets using iterative soft thresholding. The interactive GUI also enables the use of the program as an educational tool for teaching basic and advanced techniques in NMR data analysis.

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.)

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)

NMR pulse experiments data aquisition and Fast Fourier Transform assembler program for Mera-400 minicomputer

International Nuclear Information System (INIS)

Stachurowa, M.; Jasinski, A.

1981-01-01

An assembler program of NMR pulse experiments data acquisition digital signal filtering and Fast Fourier Transform (FFT) for the Mera-400 minicomputer interfaced to the pulsed NMR spectrometer is described. A phase correction subroutine of the program allows the phase correction to be made after the experiment. The program is run under the SOM-3 operating system. The program occupies 2.25 k 16 bit words of the computer memory, 3 k words are reserved for data. FFT computation time is 2.5 sec. for 1 k data points. (Author)

Magnetic shield effect simulation of superconducting film shield covering directly coupled HTS dc-SQUID magnetometer

International Nuclear Information System (INIS)

Terauchi, N.; Noguchi, S.; Igarashi, H.

2011-01-01

A superconducting film shield over a SQUID ring improves the robustness of the SQUID with respect to magnetic noise. Supercurrent in the SQUID magnetometer and the superconducting film shield were simulated. The superconducting film shield reduces the influence of the external magnetic field on the SQUID ring. An HTS SQUID is a high sensitive magnetic sensor. In recent years, the HTS SQUID is widely used in various applications. In some applications, high robustness with respect to magnetic noise is required to realize stable operation at outside of a magnetic shielding room. The target of this paper is a directly coupled HTS dc-SQUID magnetometer. To enhance the robustness of the SQUID magnetometer, use of a superconducting thin film shield has been proposed. The magnetic field directly penetrating the SQUID ring causes the change of the critical current of Josephson junction, and then the SQUID magnetometer transitions into inoperative state. In order to confirm the magnetic shield effect of the superconducting film shield, electromagnetic field simulation with 3D edge finite element method was performed. To simulate the high temperature superconductor, E-J characteristics and c-axis anisotropy are considered. To evaluate the effect of the superconducting film shield, an external magnetic field which is supposed to be a magnetic noise is applied. From the simulation results, the time transition of the magnetic flux penetrating the SQUID ring is investigated and the effect of the superconducting film shield is confirmed. The amplitude of the magnetic flux penetrating the SQUID ring can be reduced to about one-sixth since the superconducting film shield prevents the magnetic noise from directly penetrating the SQUID ring.

Passive magnetic shielding in MRI-Linac systems

Science.gov (United States)

Whelan, Brendan; Kolling, Stefan; Oborn, Brad M.; Keall, Paul

2018-04-01

Passive magnetic shielding refers to the use of ferromagnetic materials to redirect magnetic field lines away from vulnerable regions. An application of particular interest to the medical physics community is shielding in MRI systems, especially integrated MRI-linear accelerator (MRI-Linac) systems. In these systems, the goal is not only to minimize the magnetic field in some volume, but also to minimize the impact of the shield on the magnetic fields within the imaging volume of the MRI scanner. In this work, finite element modelling was used to assess the shielding of a side coupled 6 MV linac and resultant heterogeneity induced within the 30 cm diameter of spherical volume (DSV) of a novel 1 Tesla split bore MRI magnet. A number of different shield parameters were investigated; distance between shield and magnet, shield shape, shield thickness, shield length, openings in the shield, number of concentric layers, spacing between each layer, and shield material. Both the in-line and perpendicular MRI-Linac configurations were studied. By modifying the shield shape around the linac from the starting design of an open ended cylinder, the shielding effect was boosted by approximately 70% whilst the impact on the magnet was simultaneously reduced by approximately 10%. Openings in the shield for the RF port and beam exit were substantial sources of field leakage; however it was demonstrated that shielding could be added around these openings to compensate for this leakage. Layering multiple concentric shield shells was highly effective in the perpendicular configuration, but less so for the in-line configuration. Cautious use of high permeability materials such as Mu-metal can greatly increase the shielding performance in some scenarios. In the perpendicular configuration, magnetic shielding was more effective and the impact on the magnet lower compared with the in-line configuration.

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.)

Beta induced Bremsstrahlung dose rate in concrete shielding

International Nuclear Information System (INIS)

Manjunatha, H.C.

2013-01-01

Dosimetric study of beta-induced Bremsstrahlung in concrete is importance in the field of radiation protection. The efficiency, intensity and dose rate of beta induced Bremsstrahlung by 113 pure beta nuclides in concrete shielding is computed. The Bremsstrahlung dosimetric parameters such as the efficiency (yield), Intensity and dose rate of Bremsstrahlung are low for 199 Au and high for 104 Tc in concrete. The efficiency, Intensity and dose rate of Bremsstrahlung increases with maximum energy of beta nuclide (Emax) and modified atomic number (Zmod) of the target. The estimated Bremsstrahlung efficiency, Intensity and dose rate are useful in the calculations photon track-length distributions. These parameters are useful to determine the quality and quantity of the radiation (known as the source term). Precise estimation of this source term is very important in planning of radiation shielding. (author)

Innovative analytical competence. Optimization of shielding components and lifetime activation calculations

Energy Technology Data Exchange (ETDEWEB)

Boehlke, Steffen; Wortmann, Birgit; Aguilar, Arturo Lizon [STEAG Energy Services GmbH, Essen (Germany)

2014-08-15

Shielding and activation calculations always require a high level of engineering competence and powerful hard- and software tools. With the application of current methods often certain limits were reached in the past. The engineering work for optimization efforts regarding complex components with high shielding requirements exceeded the savings in material. With regard to activation the challenges in size of the geometric model and considered operation time rises constantly and pushes computing time beyond reasonable time frames. These challenges require the application of new and faster methodologies. The application of new and innovative methods is presented for a shielding optimization project to decrease the radiation level, to keep the dose rate limits, and to reduce the amount of used shielding material. In a second case a prediction of the activated materials with it's dose distribution in the surrounding area and classification of waste quantities in the structural materials of a nuclear reactor is presented. For the shielding project the preliminary design CAD model was imported into the software tool, several iterations were run and a significantly reduced radiation exposure together with a significant reduction in shieling material were achieved. For the activation calculations it could be demonstrated that it is possible to determine the activation, waste quantities and dose distribution for the structural materials of a nuclear reactor based on lifetime operational data within reasonable time frames.

CHARGE-2/C, Flux and Dose Behind Shield from Electron, Proton, Heavy Particle Irradiation

International Nuclear Information System (INIS)

Ucker, W.R.; Lilley, J.R.

1994-01-01

1 - Description of problem or function: The CHARGE code computes flux spectra, dose and other response rates behind a multilayered spherical or infinite planar shield exposed to isotopic fluxes of electrons, protons and heavy charged particles. The doses, or other responses, to electron, primary proton, heavy particle, electron Bremsstrahlung, secondary proton, and secondary neutron radiations are calculated as a function of penetration into the shield; the materials of each layer may be mixtures of elements contained in the accompanying data library, or supplied by the user. The calculation may optionally be halted before the entire shield is traversed by specifying a minimum total dose rate; the computation stops when the dose drops below this value. The ambient electron, proton and heavy particle spectra may be specified in tabular or functional form. These incident charged particle spectra are divided into energy bands or groups, the number or spacing of which are controlled by input data. The variation of the group boundary energies and group spectra as a function of shield penetration uniquely determines charged particle dose rates and secondary particle production rates. The charged particle shielding calculation is essentially the integration of the range- energy equation which expresses the variation of particle energy wit distance travelled. 2 - Method of solution: The 'straight-ahead' approximation is used throughout, that is the changes in particle direction of motion due to elastic scattering are ignored. This approximation is corrected, in the case of electrons, by applying transmission factors obtained from Monte Carlo calculations. Inelastic scattering between protons and the shielding material is assumed to produce two classes of secondaries 1) Cascade protons and neutrons, emitted in the same direction as the primaries 2) Evaporation neutrons, emitted isotropically. The transmission of secondary protons is analyzed in exactly the same way as the

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.

Medical applications of NMR imaging and NMR spectroscopy with stable isotopes. Summary

International Nuclear Information System (INIS)

Matwiyoff, N.A.

1983-01-01

The current status of NMR imaging and NMR spectroscopy are summarized. For the most part examples from the March 1983 Puerto Rico symposium are used to illustrate the utility of NMR in medicine. 18 refs., 5 figs

Medical applications of NMR imaging and NMR spectroscopy with stable isotopes. Summary

Energy Technology Data Exchange (ETDEWEB)

Matwiyoff, N.A.

1983-01-01

The current status of NMR imaging and NMR spectroscopy are summarized. For the most part examples from the March 1983 Puerto Rico symposium are used to illustrate the utility of NMR in medicine. 18 refs., 5 figs.

A User's Manual for the NRN Shield Design Method

Energy Technology Data Exchange (ETDEWEB)

Hjaerne, Leif [ed.; Aalto, E; Fraeki, R; Leimdoerfer, M; Lindblom, K; Linde, S; Malen, K; Nyman, K

1964-06-15

This report describes a code system for bulk shield design written for a Ferranti Mercury computer and is intended as a manual for those using the programme. The idea of an 'almost direct' flux, as in the removal theory serves as a basis for further development of the theory. An important aspiration has been to minimize the manual work of administering the codes. The codes concerned are: NECO, computing necessary group constants from primary data, REFUSE and REBOX (infinite plane or cylindrical, and box geometry, respectively), computing removal flux, NEDI a one-dimensional (plane, spherical, cylindrical) diffusion multigroup code, and SALOME a Monte Carlo code computing the gamma flux. Output tapes are constructed for direct use as input tapes, when required, for a following code.

A User's Manual for the NRN Shield Design Method

International Nuclear Information System (INIS)

Hjaerne, Leif; Aalto, E.; Fraeki, R.; Leimdoerfer, M.; Lindblom, K.; Linde, S.; Malen, K.; Nyman, K.

1964-06-01

This report describes a code system for bulk shield design written for a Ferranti Mercury computer and is intended as a manual for those using the programme. The idea of an 'almost direct' flux, as in the removal theory serves as a basis for further development of the theory. An important aspiration has been to minimize the manual work of administering the codes. The codes concerned are: NECO, computing necessary group constants from primary data, REFUSE and REBOX (infinite plane or cylindrical, and box geometry, respectively), computing removal flux, NEDI a one-dimensional (plane, spherical, cylindrical) diffusion multigroup code, and SALOME a Monte Carlo code computing the gamma flux. Output tapes are constructed for direct use as input tapes, when required, for a following code

EBT-P gamma-ray-shielding analysis

International Nuclear Information System (INIS)

Gohar, Y.

1983-01-01

First, a one-dimensional scoping study was performed for the gamma-ray shield of the ELMO Bumpy Torus proof-of-principle device to define appropriate shielding material and determine the required shielding thickness. The dose-equivalent results are analyzed as a function of the radiation-shield thickness for different shielding options. A sensitivity analysis for the pessimistic case is given. The recommended shielding option based on the performance and cost is discussed. Next, a three-dimensional scoping study for the coil shield was performed for four different shielding options to define the heat load for each component and check the compliance with the design criterion of 10 watts maximum heat load per coil from the gamma-ray sources. Also, a detailed biological-dose survey was performed which included: (a) the dose equivalent inside and outside the building, (b) the dose equivalent from the two mazes of the building, and (c) the skyshine contribution to the dose equivalent

Conservative method for determination of material thickness used in shielding of veterinary facilities

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

For determination of an effective method for shielding of veterinary rooms, was provided shielding methods generally used in rooms which works with X-ray production and radiotherapy. Every calculation procedure is based in traditional variables used to transmission calculation. The thickness of the materials used for primary and secondary shieldings are obtained to respect the limits set by the Brazilian National Nuclear Energy Commission (CNEN). This work presents the development of a computer code in order to serve as a practical tool for determining rapid and effective materials and their thicknesses to shield veterinary facilities. The code determines transmission values of the shieldings and compares them with data from transmission 'maps' provided by NCRP-148 report. These 'maps' were added to the algorithm through interpolation techniques of curves of materials used for shielding. Each interpolation generates about 1,000,000 points that are used to generate a new curve. The new curve is subjected to regression techniques, which makes possible to obtain nine degree polynomial, and exponential equations. These equations whose variables consist of transmission of values, enable trace all the points of this curve with high precision. The data obtained from the algorithm were satisfactory with official data presented by the National Council of Radiation Protection and Measurements (NCRP) and can contribute as a practical tool for verification of shielding of veterinary facilities that require using Radiotherapy techniques and X-ray production

Shielding factors for gamma radiation from activity deposited on structures and ground surfaces

International Nuclear Information System (INIS)

Hedemann Jensen, P.

1982-11-01

This report describes a computer model that calculates shielding factors for indoor residence in multistorey and single-family houses for gamma radiation from activity despoited on roofs, outer walls, and ground surfaces. The dimensions of the buildings including window areas and the nearby surroundings has to be speficied in the calculations. Shielding factors can be calculated for different photon energies and for a uniform surface activity distribution as well as for separate activity on roof, outer wall, and ground surface achieved from decontamination or different deposition velocities. For a given area with a known distribution of different houses a weighted shielding factor can be calculated as well as a time-averaged one based on a given residence time distribution for work/school, home, outdoors, and transportation. Calculated shielding factors are shown for typical Danish houses. To give an impression of the sensitivity of the shielding factor on the parameters used in the model, variations were made in some of the most important parameters: wall thickness, road and ground width, percentage of outer wall covered by windows, photon energy, and decontamination percentage for outer walls, ground and roofs. The uncertainity of the calculations is discussed. (author)

Nuclear magnetic resonance (NMR) imaging of Arnold-Chiari type I malformation with hydromyelia

International Nuclear Information System (INIS)

DeLaPaz, R.L.; Brady, T.J.; Buonanno, F.S.; New, P.F.; Kistler, J.P.; McGinnis, B.D.; Pykett, I.L.; Taveras, J.M.

1983-01-01

Saturation recovery nuclear magnetic resonance (NMR) images and metrizamide computed tomography (CT) scans were obtained in an adult patient with a clinical history suggestive of syringomyelia. Both NMR and CT studies showed low lying cerebellar tonsils. The CT study demonstrated central cavitation of the spinal cord from the midthoracic to midcervical levels but could not exclude an intramedullary soft tissue mass at the cervico-medullary junction. The NMR images in transverse, coronal, and sagittal planes demonstrated extension of an enlarged central spinal cord cerebrospinal fluid space to the cervico-medullary junction. This was felt to be strong evidence for exclusion of an intramedullary soft tissue mass and in favor of a diagnosis of Arnold-Chiari Type I malformation with hydromyelia. The noninvasive nature of spinal cord and cervico-medullary junction evaluation with NMR is emphasized

Image restoration from non-uniform magnetic field influence for direct Fourier NMR imaging

International Nuclear Information System (INIS)

Sekihara, K.; Kuroda, M.; Kohno, H.

1984-01-01

A new technique is proposed for NMR image restoration from the influence of main magnetic field non-uniformities. This technique is applicable to direct Fourier NMR imaging. The mathematical basis and details of this technique are fully described. Modification to include image restoration from non-linear field gradient influence is also presented. Computer simulation demonstrates the effectiveness of this technique for both Fourier zeugmatography and spin-warp imaging. (author)

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)

Nodal deterministic simulation for problems of neutron shielding in multigroup formulation

International Nuclear Information System (INIS)

Baptista, Josue Costa; Heringer, Juan Diego dos Santos; Santos, Luiz Fernando Trindade; Alves Filho, Hermes

2013-01-01

In this paper, we propose the use of some computational tools, with the implementation of numerical methods SGF (Spectral Green's Function), making use of a deterministic model of transport of neutral particles in the study and analysis of a known and simplified problem of nuclear engineering, known in the literature as a problem of neutron shielding, considering the model with two energy groups. These simulations are performed in MatLab platform, version 7.0, and are presented and developed with the help of a Computer Simulator providing a friendly computer application for their utilities

A versatile program for the calculation of linear accelerator room shielding.

Science.gov (United States)

Hassan, Zeinab El-Taher; Farag, Nehad M; Elshemey, Wael M

2018-03-22

This work aims at designing a computer program to calculate the necessary amount of shielding for a given or proposed linear accelerator room design in radiotherapy. The program (Shield Calculation in Radiotherapy, SCR) has been developed using Microsoft Visual Basic. It applies the treatment room shielding calculations of NCRP report no. 151 to calculate proper shielding thicknesses for a given linear accelerator treatment room design. The program is composed of six main user-friendly interfaces. The first enables the user to upload their choice of treatment room design and to measure the distances required for shielding calculations. The second interface enables the user to calculate the primary barrier thickness in case of three-dimensional conventional radiotherapy (3D-CRT), intensity modulated radiotherapy (IMRT) and total body irradiation (TBI). The third interface calculates the required secondary barrier thickness due to both scattered and leakage radiation. The fourth and fifth interfaces provide a means to calculate the photon dose equivalent for low and high energy radiation, respectively, in door and maze areas. The sixth interface enables the user to calculate the skyshine radiation for photons and neutrons. The SCR program has been successfully validated, precisely reproducing all of the calculated examples presented in NCRP report no. 151 in a simple and fast manner. Moreover, it easily performed the same calculations for a test design that was also calculated manually, and produced the same results. The program includes a new and important feature that is the ability to calculate required treatment room thickness in case of IMRT and TBI. It is characterised by simplicity, precision, data saving, printing and retrieval, in addition to providing a means for uploading and testing any proposed treatment room shielding design. The SCR program provides comprehensive, simple, fast and accurate room shielding calculations in radiotherapy.

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.

γ-ray shielding behaviors of some nuclear engineering materials

International Nuclear Information System (INIS)

Mann, Kulwinder Singh

2017-01-01

The essential requirement of a material to be used for engineering purposes at nuclear establishments is its ability to attenuate the most penetrating ionizing radiations, gamma (γ)-rays. Mostly, high-Z materials such as heavy concrete, lead, mercury, and their mixtures or alloys have been used in the construction of nuclear establishments and thus termed as nuclear engineering materials (NEM). The NEM are classified into two categories, namely opaque and transparent, depending on their behavior towards the visible spectrum of EM waves. The majority of NEM are opaque. By contrast, various types of glass, which are transparent to visible light, are necessary at certain places in the nuclear establishments. In the present study, γ-ray shielding behaviors (GSB) of six glass samples (transparent NEM) were evaluated and compared with some opaque NEM in a wide range of energy (15 keV–15 MeV) and optical thickness (OT). The study was performed by computing various γ-ray shielding parameters (GSP) such as the mass attenuation coefficient, equivalent atomic number, and buildup factor. A self-designed and validated computer-program, the buildup factor-tool, was used for various computations. It has been established that some glass samples show good GSB, thus can safely be used in the construction of nuclear establishments in conjunction with the opaque NEM as well

γ-ray shielding behaviors of some nuclear engineering materials

Energy Technology Data Exchange (ETDEWEB)

Mann, Kulwinder Singh [Dept. of Physics, D.A.V. College, Punjab (India)

2017-06-15

The essential requirement of a material to be used for engineering purposes at nuclear establishments is its ability to attenuate the most penetrating ionizing radiations, gamma (γ)-rays. Mostly, high-Z materials such as heavy concrete, lead, mercury, and their mixtures or alloys have been used in the construction of nuclear establishments and thus termed as nuclear engineering materials (NEM). The NEM are classified into two categories, namely opaque and transparent, depending on their behavior towards the visible spectrum of EM waves. The majority of NEM are opaque. By contrast, various types of glass, which are transparent to visible light, are necessary at certain places in the nuclear establishments. In the present study, γ-ray shielding behaviors (GSB) of six glass samples (transparent NEM) were evaluated and compared with some opaque NEM in a wide range of energy (15 keV–15 MeV) and optical thickness (OT). The study was performed by computing various γ-ray shielding parameters (GSP) such as the mass attenuation coefficient, equivalent atomic number, and buildup factor. A self-designed and validated computer-program, the buildup factor-tool, was used for various computations. It has been established that some glass samples show good GSB, thus can safely be used in the construction of nuclear establishments in conjunction with the opaque NEM as well.

γ-Ray Shielding Behaviors of Some Nuclear Engineering Materials

Directory of Open Access Journals (Sweden)

Kulwinder Singh Mann

2017-06-01

Full Text Available The essential requirement of a material to be used for engineering purposes at nuclear establishments is its ability to attenuate the most penetrating ionizing radiations, gamma (γ-rays. Mostly, high-Z materials such as heavy concrete, lead, mercury, and their mixtures or alloys have been used in the construction of nuclear establishments and thus termed as nuclear engineering materials (NEM. The NEM are classified into two categories, namely opaque and transparent, depending on their behavior towards the visible spectrum of EM waves. The majority of NEM are opaque. By contrast, various types of glass, which are transparent to visible light, are necessary at certain places in the nuclear establishments. In the present study, γ-ray shielding behaviors (GSB of six glass samples (transparent NEM were evaluated and compared with some opaque NEM in a wide range of energy (15 keV–15 MeV and optical thickness (OT. The study was performed by computing various γ-ray shielding parameters (GSP such as the mass attenuation coefficient, equivalent atomic number, and buildup factor. A self-designed and validated computer-program, the buildup factor-tool, was used for various computations. It has been established that some glass samples show good GSB, thus can safely be used in the construction of nuclear establishments in conjunction with the opaque NEM as well.

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

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.

PWR upper/lower internals shield

Energy Technology Data Exchange (ETDEWEB)

Homyk, W.A. [Indian Point Station, Buchanan, NY (United States)

1995-03-01

During refueling of a nuclear power plant, the reactor upper internals must be removed from the reactor vessel to permit transfer of the fuel. The upper internals are stored in the flooded reactor cavity. Refueling personnel working in containment at a number of nuclear stations typically receive radiation exposure from a portion of the highly contaminated upper intervals package which extends above the normal water level of the refueling pool. This same issue exists with reactor lower internals withdrawn for inservice inspection activities. One solution to this problem is to provide adequate shielding of the unimmersed portion. The use of lead sheets or blankets for shielding of the protruding components would be time consuming and require more effort for installation since the shielding mass would need to be transported to a support structure over the refueling pool. A preferable approach is to use the existing shielding mass of the refueling pool water. A method of shielding was devised which would use a vacuum pump to draw refueling pool water into an inverted canister suspended over the upper internals to provide shielding from the normally exposed components. During the Spring 1993 refueling of Indian Point 2 (IP2), a prototype shield device was demonstrated. This shield consists of a cylindrical tank open at the bottom that is suspended over the refueling pool with I-beams. The lower lip of the tank is two feet below normal pool level. After installation, the air width of the natural shielding provided by the existing pool water. This paper describes the design, development, testing and demonstration of the prototype device.

Study of Radiation Shielding Analysis for Low-Intermediate Level Waste Transport Ship

Energy Technology Data Exchange (ETDEWEB)

Kim, Dohyung; Lee, Unjang; Song, Yangsoo; Kim, Sukhoon; Ko, Jaehoon [Korea Nuclear Engineering and Service Corporation, Seoul (Korea, Republic of)

2007-07-01

In Korea, it is planed to transport Low-Intermediate Level Radioactive Waste (LILW) from each nuclear power plant site to Kyongju LILW repository after 2009. Transport through the sea using ship is one of the most prospective ways of LILW transport for current situation in Korea. There are domestic and international regulations for radiation dose limit for radioactive material transport. In this article, radiation shielding analysis for LILW transport ship is performed using 3-D computer simulation code, MCNP. As a result, the thickness and materials for radiation shielding walls next to cargo in the LILW transport ship are determined.

NbF{sub 5} and TaF{sub 5}: Assignment of {sup 19}F NMR resonances and chemical bond analysis from GIPAW calculations

Energy Technology Data Exchange (ETDEWEB)

Biswal, Mamata, E-mail: Mamata.Biswal-Susanta_Kumar_Nayak.Etu@univ-lemans.fr [LUNAM Université, Université du Maine, CNRS UMR 6283, Institut des Molécules et des Matériaux du Mans, Avenue Olivier Messiaen, 72085 Le Mans Cedex 9 (France); Body, Monique, E-mail: monique.body@univ-lemans.fr [LUNAM Université, Université du Maine, CNRS UMR 6283, Institut des Molécules et des Matériaux du Mans, Avenue Olivier Messiaen, 72085 Le Mans Cedex 9 (France); Legein, Christophe, E-mail: christophe.legein@univ-lemans.fr [LUNAM Université, Université du Maine, CNRS UMR 6283, Institut des Molécules et des Matériaux du Mans, Avenue Olivier Messiaen, 72085 Le Mans Cedex 9 (France); Sadoc, Aymeric, E-mail: Aymeric.Sadoc@cnrs-imn.fr [Institut des Matériaux Jean Rouxel (IMN), Université de Nantes, CNRS, 2 rue de la Houssinière, BP 32229, 44322 Nantes Cedex 3 (France); Boucher, Florent, E-mail: Florent.Boucher@cnrs-imn.fr [Institut des Matériaux Jean Rouxel (IMN), Université de Nantes, CNRS, 2 rue de la Houssinière, BP 32229, 44322 Nantes Cedex 3 (France)

2013-11-15

The {sup 19}F isotropic chemical shifts (δ{sub iso}) of two isomorphic compounds, NbF{sub 5} and TaF{sub 5}, which involve six nonequivalent fluorine sites, have been experimentally determined from the reconstruction of 1D {sup 19}F MAS NMR spectra. In parallel, the corresponding {sup 19}F chemical shielding tensors have been calculated using the GIPAW method for both experimental and DFT-optimized structures. Furthermore, the [M{sub 4}F{sub 20}] units of NbF{sub 5} and TaF{sub 5} being held together by van der Waals interactions, the relevance of Grimme corrections to the DFT optimization processes has been evaluated. However, the semi-empirical dispersion correction term introduced by such a method does not show any significant improvement. Nonetheless, a complete and convincing assignment of the {sup 19}F NMR lines of NbF{sub 5} and TaF{sub 5} is obtained, ensured by the linearity between experimental {sup 19}F δ{sub iso} values and calculated {sup 19}F isotropic chemical shielding σ{sub iso} values. The effects of the geometry optimizations have been carefully analyzed, confirming among other matters, the inaccuracy of the experimental structure of NbF{sub 5}. The relationships between the fluorine chemical shifts, the nature of the fluorine atoms (bridging or terminal), the position of the terminal ones (opposite or perpendicular to the bridging ones), the fluorine charges, the ionicity and the length of the M–F bonds have been established. Additionally, for three of the {sup 19}F NMR lines of NbF{sub 5}, distorted multiplets, arising from {sup 1}J-coupling and residual dipolar coupling between the {sup 19}F and {sup 93}Nb nuclei, were simulated yielding to values of {sup 93}Nb–{sup 19}F {sup 1}J-coupling for the corresponding fluorine sites. - Graphical abstract: The complete assignment of the {sup 19}F NMR lines of NbF{sub 5} and TaF{sub 5} allow establishing relationships between the {sup 19}F δ{sub iso} values, the nature of the fluorine atoms

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)

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)

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.)

Optimization of multi-layered metallic shield

International Nuclear Information System (INIS)

Ben-Dor, G.; Dubinsky, A.; Elperin, T.

2011-01-01

Research highlights: → We investigated the problem of optimization of a multi-layered metallic shield. → The maximum ballistic limit velocity is a criterion of optimization. → The sequence of materials and the thicknesses of layers in the shield are varied. → The general problem is reduced to the problem of Geometric Programming. → Analytical solutions are obtained for two- and three-layered shields. - Abstract: We investigate the problem of optimization of multi-layered metallic shield whereby the goal is to determine the sequence of materials and the thicknesses of the layers that provide the maximum ballistic limit velocity of the shield. Optimization is performed under the following constraints: fixed areal density of the shield, the upper bound on the total thickness of the shield and the bounds on the thicknesses of the plates manufactured from every material. The problem is reduced to the problem of Geometric Programming which can be solved numerically using known methods. For the most interesting in practice cases of two-layered and three-layered shields the solution is obtained in the explicit analytical form.

SHIELD 1.0: development of a shielding calculator program in diagnostic radiology; SHIELD 1.0: desenvolvimento de um programa de calculo de blindagem em radiodiagnostico

Energy Technology Data Exchange (ETDEWEB)

Santos, Romulo R.; Real, Jessica V.; Luz, Renata M. da [Hospital Sao Lucas (PUCRS), Porto Alegre, RS (Brazil); Friedrich, Barbara Q.; Silva, Ana Maria Marques da, E-mail: ana.marques@pucrs.br [Pontificia Universidade Catolica do Rio Grande do Sul (PUCRS), Porto Alegre, RS (Brazil)

2013-08-15

In shielding calculation of radiological facilities, several parameters are required, such as occupancy, use factor, number of patients, source-barrier distance, area type (controlled and uncontrolled), radiation (primary or secondary) and material used in the barrier. The shielding design optimization requires a review of several options about the physical facility design and, mainly, the achievement of the best cost-benefit relationship for the shielding material. To facilitate the development of this kind of design, a program to calculate the shielding in diagnostic radiology was implemented, based on data and limits established by National Council on Radiation Protection and Measurements (NCRP) 147 and SVS-MS 453/98. The program was developed in C⌗ language, and presents a graphical interface for user data input and reporting capabilities. The module initially implemented, called SHIELD 1.0, refers to calculating barriers for conventional X-ray rooms. The program validation was performed by the comparison with the results of examples of shielding calculations presented in NCRP 147.

Study of the shielding for spontaneous fission sources of Californium-252

International Nuclear Information System (INIS)

Davila R, I.

1991-06-01

A shielding study is made to attenuate, until maximum permissible levels, the neutrons radiation and photons emitted by spontaneous fission coming from a source of Californium-252. The compound package by a database (Library DLC-23) and the ANISNW code is used, in it version for personal computer. (Author)

CAD-Based Shielding Analysis for ITER Port Diagnostics

Directory of Open Access Journals (Sweden)

Serikov Arkady

2017-01-01

Full Text Available Radiation shielding analysis conducted in support of design development of the contemporary diagnostic systems integrated inside the ITER ports is relied on the use of CAD models. This paper presents the CAD-based MCNP Monte Carlo radiation transport and activation analyses for the Diagnostic Upper and Equatorial Port Plugs (UPP #3 and EPP #8, #17. The creation process of the complicated 3D MCNP models of the diagnostics systems was substantially accelerated by application of the CAD-to-MCNP converter programs MCAM and McCad. High performance computing resources of the Helios supercomputer allowed to speed-up the MCNP parallel transport calculations with the MPI/OpenMP interface. The found shielding solutions could be universal, reducing ports R&D costs. The shield block behind the Tritium and Deposit Monitor (TDM optical box was added to study its influence on Shut-Down Dose Rate (SDDR in Port Interspace (PI of EPP#17. Influence of neutron streaming along the Lost Alpha Monitor (LAM on the neutron energy spectra calculated in the Tangential Neutron Spectrometer (TNS of EPP#8. For the UPP#3 with Charge eXchange Recombination Spectroscopy (CXRS-core, an excessive neutron streaming along the CXRS shutter, which should be prevented in further design iteration.

CAD-Based Shielding Analysis for ITER Port Diagnostics

Science.gov (United States)

Serikov, Arkady; Fischer, Ulrich; Anthoine, David; Bertalot, Luciano; De Bock, Maartin; O'Connor, Richard; Juarez, Rafael; Krasilnikov, Vitaly

2017-09-01

Radiation shielding analysis conducted in support of design development of the contemporary diagnostic systems integrated inside the ITER ports is relied on the use of CAD models. This paper presents the CAD-based MCNP Monte Carlo radiation transport and activation analyses for the Diagnostic Upper and Equatorial Port Plugs (UPP #3 and EPP #8, #17). The creation process of the complicated 3D MCNP models of the diagnostics systems was substantially accelerated by application of the CAD-to-MCNP converter programs MCAM and McCad. High performance computing resources of the Helios supercomputer allowed to speed-up the MCNP parallel transport calculations with the MPI/OpenMP interface. The found shielding solutions could be universal, reducing ports R&D costs. The shield block behind the Tritium and Deposit Monitor (TDM) optical box was added to study its influence on Shut-Down Dose Rate (SDDR) in Port Interspace (PI) of EPP#17. Influence of neutron streaming along the Lost Alpha Monitor (LAM) on the neutron energy spectra calculated in the Tangential Neutron Spectrometer (TNS) of EPP#8. For the UPP#3 with Charge eXchange Recombination Spectroscopy (CXRS-core), an excessive neutron streaming along the CXRS shutter, which should be prevented in further design iteration.

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

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

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.

Support vector regression model for the estimation of γ-ray buildup factors for multi-layer shields

International Nuclear Information System (INIS)

Trontl, Kresimir; Smuc, Tomislav; Pevec, Dubravko

2007-01-01

The accuracy of the point-kernel method, which is a widely used practical tool for γ-ray shielding calculations, strongly depends on the quality and accuracy of buildup factors used in the calculations. Although, buildup factors for single-layer shields comprised of a single material are well known, calculation of buildup factors for stratified shields, each layer comprised of different material or a combination of materials, represent a complex physical problem. Recently, a new compact mathematical model for multi-layer shield buildup factor representation has been suggested for embedding into point-kernel codes thus replacing traditionally generated complex mathematical expressions. The new regression model is based on support vector machines learning technique, which is an extension of Statistical Learning Theory. The paper gives complete description of the novel methodology with results pertaining to realistic engineering multi-layer shielding geometries. The results based on support vector regression machine learning confirm that this approach provides a framework for general, accurate and computationally acceptable multi-layer buildup factor model

Electron accelerator shielding design of KIPT neutron source facility

Energy Technology Data Exchange (ETDEWEB)

Zhong, Zhao Peng; Gohar, Yousry [Argonne National Laboratory, Argonne (United States)

2016-06-15

The Argonne National Laboratory of the United States and the Kharkov Institute of Physics and Technology of the Ukraine have been collaborating on the design, development and construction of a neutron source facility at Kharkov Institute of Physics and Technology utilizing an electron-accelerator-driven subcritical assembly. The electron beam power is 100 kW using 100-MeV electrons. The facility was designed to perform basic and applied nuclear research, produce medical isotopes, and train nuclear specialists. The biological shield of the accelerator building was designed to reduce the biological dose to less than 5.0e-03 mSv/h during operation. The main source of the biological dose for the accelerator building is the photons and neutrons generated from different interactions of leaked electrons from the electron gun and the accelerator sections with the surrounding components and materials. The Monte Carlo N-particle extended code (MCNPX) was used for the shielding calculations because of its capability to perform electron-, photon-, and neutron-coupled transport simulations. The photon dose was tallied using the MCNPX calculation, starting with the leaked electrons. However, it is difficult to accurately tally the neutron dose directly from the leaked electrons. The neutron yield per electron from the interactions with the surrounding components is very small, ∼0.01 neutron for 100-MeV electron and even smaller for lower-energy electrons. This causes difficulties for the Monte Carlo analyses and consumes tremendous computation resources for tallying the neutron dose outside the shield boundary with an acceptable accuracy. To avoid these difficulties, the SOURCE and TALLYX user subroutines of MCNPX were utilized for this study. The generated neutrons were banked, together with all related parameters, for a subsequent MCNPX calculation to obtain the neutron dose. The weight windows variance reduction technique was also utilized for both neutron and photon dose

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...

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

A comparison study of PET, NMR, and CT imaging in cerebral ischemia

International Nuclear Information System (INIS)

Babikian, V.L.; Ford, C.S.; Buonanno, F.S.; Kistler, J.P.; Ackerman, R.H.; Alpert, N.M.; Correia, J.A.; Johnson, K.A.; Buxton, R.B.

1987-01-01

Whether ischemia without infarction produces recognizable changes in relaxation times of ischemic but viable brain is an important, unresolved issue. Therefore, a study was initiated of patients with cerebral ischemia, using positron emission tomography (PET), NMR, and computed tomography (CT) to compare and contrast the pathophysiologic information provided by each and to study the issue of whether cerebral ischemia without infarction can be appreciated by proton NMR imaging. Here the initial results are reported. 4 refs.; 2 figs.; 1 table

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)

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.

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.

Measuring space radiation shielding effectiveness

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