WorldWideScience

Sample records for two-dimensional nmr methods

  1. Two-dimensional NMR spectrometry

    International Nuclear Information System (INIS)

    Farrar, T.C.

    1987-01-01

    This article is the second in a two-part series. In part one (ANALYTICAL CHEMISTRY, May 15) the authors discussed one-dimensional nuclear magnetic resonance (NMR) spectra and some relatively advanced nuclear spin gymnastics experiments that provide a capability for selective sensitivity enhancements. In this article and overview and some applications of two-dimensional NMR experiments are presented. These powerful experiments are important complements to the one-dimensional experiments. As in the more sophisticated one-dimensional experiments, the two-dimensional experiments involve three distinct time periods: a preparation period, t 0 ; an evolution period, t 1 ; and a detection period, t 2

  2. 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

  3. Development of Two-Dimensional NMR

    Indian Academy of Sciences (India)

    Home; Journals; Resonance – Journal of Science Education; Volume 20; Issue 11. Development of Two-Dimensional NMR: Strucure Determination of Biomolecules in Solution. Anil Kumar. General Article Volume 20 Issue 11 November 2015 pp 995-1002 ...

  4. Two dimensional NMR studies of polysaccharides

    International Nuclear Information System (INIS)

    Byrd, R.A.; Egan, W.; Summers, M.F.

    1987-01-01

    Polysaccharides are very important components in the immune response system. Capsular polysaccharides and lipopolysaccharides occupy cell surface sites of bacteria, play key roles in recognition and some have been used to develop vaccines. Consequently, the ability to determine chemical structures of these systems is vital to an understanding of their immunogenic action. The authors have been utilizing recently developed two-dimensional homonuclear and heteronuclear correlation spectroscopy for unambiguous assignment and structure determination of a number of polysaccharides. In particular, the 1 H-detected heteronuclear correlation experiments are essential to the rapid and sensitive determination of these structures. Linkage sites are determined by independent polarization transfer experiments and multiple quantum correlation experiments. These methods permit the complete structure determination on very small amounts of the polysaccharides. They present the results of a number of structural determinations and discuss the limits of these experiments in terms of their applications to polysaccharides

  5. Two-dimensional NMR studies of allyl palladium complexes of ...

    Indian Academy of Sciences (India)

    Administrator

    h3-Allyl complexes are intermediates in organic synthetic reactions such as allylic alkylation and amination. There is growing interest in understanding the structures of chiral h3-allyl intermediates as this would help to unravel the mechanism of enantioselective C–C bond forming reactions. Two-dimensional NMR study is a.

  6. 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

  7. Two dimensional NMR of liquids and oriented molecules

    International Nuclear Information System (INIS)

    Gochin, M.

    1987-02-01

    Chapter 1 discusses the quantum mechanical formalism used for describing the interaction between magnetic dipoles that dictates the appearance of a spectrum. The NMR characteristics of liquids and liquid crystals are stressed. Chapter 2 reviews the theory of multiple quantum and two dimensional NMR. Properties of typical spectra and phase cycling procedures are discussed. Chapter 3 describes a specific application of heteronuclear double quantum coherence to the removal of inhomogeneous broadening in liquids. Pulse sequences have been devised which cancel out any contribution from this inhomogeneity to the final spectrum. An interpretation of various pulse sequences for the case of 13 C and 1 H is given, together with methods of spectral editing by removal or retention of the homo- or heteronuclear J coupling. The technique is applied to a demonstration of high resolution in both frequency and spatial dimensions with a surface coil. In Chapter 4, multiple quantum filtered 2-D spectroscopy is demonstrated as an effective means of studying randomly deuterated molecules dissolved in a nematic liquid crystal. Magnitudes of dipole coupling constants have been determined for benzene and hexane, and their signs and assignments found from high order multiple quantum spectra. For the first time, a realistic impression of the conformation of hexane can be estimated from these results. Chapter 5 is a technical description of the MDB DCHIB-DR11W parallel interface which has been set up to transfer data between the Data General Nova 820 minicomputer, interfaced to the 360 MHz spectrometer, and the Vax 11/730. It covers operation of the boards, physical specifications and installation, and programs for testing and running the interface

  8. Two dimensional NMR of liquids and oriented molecules

    Energy Technology Data Exchange (ETDEWEB)

    Gochin, M.

    1987-02-01

    Chapter 1 discusses the quantum mechanical formalism used for describing the interaction between magnetic dipoles that dictates the appearance of a spectrum. The NMR characteristics of liquids and liquid crystals are stressed. Chapter 2 reviews the theory of multiple quantum and two dimensional NMR. Properties of typical spectra and phase cycling procedures are discussed. Chapter 3 describes a specific application of heteronuclear double quantum coherence to the removal of inhomogeneous broadening in liquids. Pulse sequences have been devised which cancel out any contribution from this inhomogeneity to the final spectrum. An interpretation of various pulse sequences for the case of /sup 13/C and /sup 1/H is given, together with methods of spectral editing by removal or retention of the homo- or heteronuclear J coupling. The technique is applied to a demonstration of high resolution in both frequency and spatial dimensions with a surface coil. In Chapter 4, multiple quantum filtered 2-D spectroscopy is demonstrated as an effective means of studying randomly deuterated molecules dissolved in a nematic liquid crystal. Magnitudes of dipole coupling constants have been determined for benzene and hexane, and their signs and assignments found from high order multiple quantum spectra. For the first time, a realistic impression of the conformation of hexane can be estimated from these results. Chapter 5 is a technical description of the MDB DCHIB-DR11W parallel interface which has been set up to transfer data between the Data General Nova 820 minicomputer, interfaced to the 360 MHz spectrometer, and the Vax 11/730. It covers operation of the boards, physical specifications and installation, and programs for testing and running the interface.

  9. Investigation of the spatial structure of des-Gly9-[Arg8]vasopressin by the methods of two-dimensional NMR spectroscopy and theoretical conformational analysis

    International Nuclear Information System (INIS)

    Shenderovich, M.D.; Sekatsis, I.P.; Liepin'sh, E.E.; Nikiforovich, G.V.; Papsuevich, O.S.

    1986-01-01

    An assignment of the 1 H NMR signals of des-Gly 9 -[Arg 8 ]vasopressin in dimethyl sulfoxide has been made by 2D spectroscopy. The SSCCs and temperature coefficients Δδ/Δ T have been obtained for the amide protons and the system of NOE cross-peaks in the two-dimensional NOESY spectrum has been analyzed. The most important information on the spatial structure of des-Gly 9 -[Arg 8 ]vasopressin is given by the low value of the temperature coefficient Δδ/Δ T of the Asn 5 amide proton and the NOE between the α-protons of Cys 1 and Cys 6 . It is assumed that the screening of the NH proton of the Asn 5 residue from the solvent is connected with a β-bend of the backbone in the 2-5 sequence, and the distance between the C/sup α/H atoms of the Cys 1 and Cys 6 residues does not exceed 4 A. Bearing these limitations in mind, a theoretical conformational analysis of the molecule has been made. The group of low-energy conformations of the backbone obtained has been compared with the complete set of NMR characteristics

  10. Application of CRAFT in two-dimensional NMR data processing.

    Science.gov (United States)

    Krishnamurthy, Krish; Sefler, Andrea M; Russell, David J

    2017-03-01

    Two-dimensional (2D) data are typically truncated in both dimensions, but invariably and severely so in the indirect dimension. These truncated FIDs and/or interferograms are extensively zero filled, and Fourier transformation of such zero-filled data is always preceded by a rapidly decaying apodization function. Hence, the frequency line width in the spectrum (at least parallel to the evolution dimension) is almost always dominated by the apodization function. Such apodization-driven line broadening in the indirect (t 1 ) dimension leads to the lack of clear resolution of cross peaks in the 2D spectrum. Time-domain analysis (i.e. extraction of frequency, amplitudes, line width, and phase parameters directly from the FID, in this case via Bayesian modeling into a tabular format) of NMR data is another approach for spectral resonance characterization and quantification. The recently published complete reduction to amplitude frequency table (CRAFT) technique converts the raw FID data (i.e. time-domain data) into a table of frequencies, amplitudes, decay rate constants, and phases. CRAFT analyses of time-domain data require minimal or no apodization prior to extraction of the four parameters. We used the CRAFT processing approach for the decimation of the interferograms and compared the results from a variety of 2D spectra against conventional processing with and without linear prediction. The results show that use of the CRAFT technique to decimate the t 1 interferograms yields much narrower spectral line width of the resonances, circumventing the loss of resolution due to apodization. Copyright © 2016 John Wiley & Sons, Ltd. Copyright © 2016 John Wiley & Sons, Ltd.

  11. Novel solution conformation of DNA observed in d(GAATTCGAATTC) by two-dimensional NMR spectroscopy

    International Nuclear Information System (INIS)

    Chary, K.V.R.; Hosur, R.V.; Govil, G.; Zu-kun, T.; Miles, H.T.

    1987-01-01

    Resonance assignments of nonexchangeable base and sugar protons of the self-complementary dodecanucleotide d(GAATTCGAATTC) have been obtained by using the two-dimensional Fourier transform NMR methods correlated spectroscopy and nuclear Overhauser effect spectroscopy. Conformational details about the sugar pucker, the glycosidic dihedral angle, and the overall secondary structure of the molecule has been derived from the relative intensities of cross peaks in the two-dimensional NMR spectra in aqueous solution. It is observed that d(GAATTCGAATTC) assumes a novel double-helical structure. The solution conformations of the two complementary strands are identical, unlike those observed in a related sequence in the solid state. Most of the five-membered sugar rings adopt an unusual O1'-endo geometry. All the glycosidic dihedral angles are in the anti domain. The AATT segments A2-T5 and A8-T11 show better stacking compared to the rest of the molecule. These features fit into a right-handed DNA model for the above two segments, with the sugar geometries different from the conventional ones. There are important structural variations in the central TCG portion, which is known to show preferences for DNase I activity, and between G1-A2 and G7-A8, which are cleavage points in the EcoRI recognition sequence. The sugar puckers for G1 and G7 are significantly different from the rest of the molecule. Further, in the three segments mentioned above, the sugar phosphate geometry is such that the distances between protons on adjacent nucleotides are much larger than those expected for a right-handed DNA. The authors suggest that such crevices in the DNA structure may act as hot points in initiation of protein recognition

  12. Introduction to the conformational investigation of peptides and proteins by using two-dimensional proton NMR experiments

    International Nuclear Information System (INIS)

    Neumann, J.M.; Macquaire, F.

    1991-01-01

    This report presents the elementary bases for an initiation to the conformational study of peptides and proteins by using two-dimensional proton NMR experiments. First, some general features of protein structures are summarized. A second chapter is devoted to the basic NMR experiments and to the spectral parameters which provide a structural information. This description is illustrated by NMR spectra of peptides. The third chapter concerns the most standard two-dimensional proton NMR experiments and their use for a conformational study of peptides and proteins. Lastly, an example of NMR structural investigation of a peptide is reported [fr

  13. Two-dimensional NMR spectroscopy strongly enhances soil organic matter composition analysis

    Science.gov (United States)

    Soucemarianadin, Laure; Erhagen, Björn; Öquist, Mats; Nilsson, Mats; Hedenström, Mattias; Schleucher, Jürgen

    2016-04-01

    Soil organic matter (SOM) is the largest terrestrial carbon pool and strongly affects soil properties. With climate change, understanding SOM processes and turnover and how they could be affected by increasing temperatures becomes critical. This is particularly key for organic soils as they represent a huge carbon pool in very sensitive ecosystems, like boreal ecosystems and peatlands. Nevertheless, characterization of SOM molecular composition, which is essential to elucidate soil carbon processes, is not easily achieved, and further advancements in that area are greatly needed. Solid-state one-dimensional (1D) 13C nuclear magnetic resonance (NMR) spectroscopy is often used to characterize its molecular composition, but only provides data on a few major functional groups, which regroup many different molecular fragments. For instance, in the carbohydrates region, signals of all monosaccharides present in many different polymers overlap. This overlap thwarts attempts to identify molecular moieties, resulting in insufficient information to characterize SOM composition. Here we show that two-dimensional (2D) liquid-state 1H-13C NMR spectra provided much richer data on the composition of boreal plant litter and organic surface soil. The 2D spectra indeed resolved overlaps observed in 1D 13C spectra and displayed signals from hundreds of identifiable molecular groups. For example, in the aromatics region, signals from individual lignin units could be recognized. It was hence possible to follow the fate of specific structural moieties in soils. We observed differences between litter and soil samples, and were able to relate them to the decomposition of identifiable moieties. Sample preparation and data acquisition were both simple and fast. Further, using multivariate data analysis, we aimed at linking the detailed chemical fingerprints of SOM to turnover rates in a soil incubation experiment. With the multivariate models, we were able to identify specific molecular

  14. Two-dimensional NMR spectroscopy of 13C methanol at less than 5 μT

    Science.gov (United States)

    Shim, Jeong Hyun; Lee, Seong-Joo; Hwang, Seong-min; Yu, Kwon-Kyu; Kim, Kiwoong

    2014-09-01

    Two-dimensional (2D) spectroscopy is one of the most significant applications of nuclear magnetic resonance (NMR). Here, we demonstrate that the 2D NMR can be performed even at a low magnetic field of less than 5 μT, which is ten times less than the Earth’s magnetic field. The pulses used in the experiment were composed of circularly polarized fields for coherent as well as wideband excitations. Since the excitation band covers the entire spectral range, the simplest two-pulse sequence delivered the full 2D spectrum. At 5 μT, methanol with 13C enriched up to 99% belongs to a strongly coupled regime, and thus its 2D spectrum exhibits complicated spectral correlations, which can be exploited as a fingerprint in chemical analysis. In addition, we show that, with compressive sensing, the acquisition of the 2D spectrum can be accelerated to take only 45% of the overall duration.

  15. Solution structures of α-conotoxin G1 determined by two-dimensional NMR spectroscopy

    International Nuclear Information System (INIS)

    Pardi, A.; Galdes, A.; Florance, J.; Maniconte, D.

    1989-01-01

    Two-dimensional NMR data have been used to generate solution structures of α-conotoxin G1, a potent peptide antagonist of the acetylcholine receptor. Structural information was obtained in the form of proton-proton internuclear distance constraints, and initial structures were produced with a distance geometry algorithm. Energetically more favorable structures were generated by using the distance geometry structures as input for a constrained energy minimization program. The results of both of these calculations indicate that the overall backbone conformation of the molecule is well-defined by the NMR data whereas the side-chain conformations are generally less well-defined. The main structural features derived from the NMR data were the presence of tight turns centered on residues Pro 5 and Arg 9 . The solution structures are compared with previous proposed models of conotoxin G1, and the NMR data are interpreted in conjunction with chemical modification studies and structural properties of other antagonists of the acetylcholine receptor to gain insight into structure-activity relationships in these peptide toxins

  16. Two-dimensional NMR investigations of the dynamic conformations of phospholipids and liquid crystals

    Energy Technology Data Exchange (ETDEWEB)

    Hong, Mei [Univ. of California, Berkeley, CA (United States). Applied Science and Technology

    1996-05-01

    Two-dimensional 13C, 1H, and 31P nuclear magnetic resonance (NMR) techniques are developed and used to study molecular structure and dynamics in liquid-crystalline systems, primarily phospholipids and nematic liquid crystals. NMR spectroscopy characterizes molecular conformation in terms of orientations and distances of molecular segments. In anisotropically mobile systems, this is achieved by measuring motionally-averaged nuclear dipolar couplings and chemical shift anisotropies. The short-range couplings yield useful bond order parameters, while the long-range interactions constrain the overall conformation. In this work, techniques for probing proton dipolar local fields are further developed to obtain highlyresolved dipolar couplings between protons and rare spins. By exploiting variable-angle sample spinning techniques, orientation-sensitive NMR spectra are resolved according to sitespecific isotropic chemical shifts. Moreover, the signs and magnitudes of various short-range dipolar couplings are obtained. They are used in novel theoretical analyses that provide information about segmental orientations and their distributions. Such information is obtained in a model-independent fashion or with physically reasonable assumptions. The structural investigation of phospholipids is focused on the dynam

  17. Two-dimensional NMR measurement and point dipole model prediction of paramagnetic shift tensors in solids

    Energy Technology Data Exchange (ETDEWEB)

    Walder, Brennan J.; Davis, Michael C.; Grandinetti, Philip J. [Department of Chemistry, Ohio State University, 100 West 18th Avenue, Columbus, Ohio 43210 (United States); Dey, Krishna K. [Department of Physics, Dr. H. S. Gour University, Sagar, Madhya Pradesh 470003 (India); Baltisberger, Jay H. [Division of Natural Science, Mathematics, and Nursing, Berea College, Berea, Kentucky 40403 (United States)

    2015-01-07

    A new two-dimensional Nuclear Magnetic Resonance (NMR) experiment to separate and correlate the first-order quadrupolar and chemical/paramagnetic shift interactions is described. This experiment, which we call the shifting-d echo experiment, allows a more precise determination of tensor principal components values and their relative orientation. It is designed using the recently introduced symmetry pathway concept. A comparison of the shifting-d experiment with earlier proposed methods is presented and experimentally illustrated in the case of {sup 2}H (I = 1) paramagnetic shift and quadrupolar tensors of CuCl{sub 2}⋅2D{sub 2}O. The benefits of the shifting-d echo experiment over other methods are a factor of two improvement in sensitivity and the suppression of major artifacts. From the 2D lineshape analysis of the shifting-d spectrum, the {sup 2}H quadrupolar coupling parameters are 〈C{sub q}〉 = 118.1 kHz and 〈η{sub q}〉 = 0.88, and the {sup 2}H paramagnetic shift tensor anisotropy parameters are 〈ζ{sub P}〉 = − 152.5 ppm and 〈η{sub P}〉 = 0.91. The orientation of the quadrupolar coupling principal axis system (PAS) relative to the paramagnetic shift anisotropy principal axis system is given by (α,β,γ)=((π)/2 ,(π)/2 ,0). Using a simple ligand hopping model, the tensor parameters in the absence of exchange are estimated. On the basis of this analysis, the instantaneous principal components and orientation of the quadrupolar coupling are found to be in excellent agreement with previous measurements. A new point dipole model for predicting the paramagnetic shift tensor is proposed yielding significantly better agreement than previously used models. In the new model, the dipoles are displaced from nuclei at positions associated with high electron density in the singly occupied molecular orbital predicted from ligand field theory.

  18. Two-Dimensional Impact Reconstruction Method for Rail Defect Inspection

    Directory of Open Access Journals (Sweden)

    Jie Zhao

    2014-01-01

    Full Text Available The safety of train operating is seriously menaced by the rail defects, so it is of great significance to inspect rail defects dynamically while the train is operating. This paper presents a two-dimensional impact reconstruction method to realize the on-line inspection of rail defects. The proposed method utilizes preprocessing technology to convert time domain vertical vibration signals acquired by wireless sensor network to space signals. The modern time-frequency analysis method is improved to reconstruct the obtained multisensor information. Then, the image fusion processing technology based on spectrum threshold processing and node color labeling is proposed to reduce the noise, and blank the periodic impact signal caused by rail joints and locomotive running gear. This method can convert the aperiodic impact signals caused by rail defects to partial periodic impact signals, and locate the rail defects. An application indicates that the two-dimensional impact reconstruction method could display the impact caused by rail defects obviously, and is an effective on-line rail defects inspection method.

  19. Development of two dimensional electrophoresis method using single chain DNA

    International Nuclear Information System (INIS)

    Ikeda, Junichi; Hidaka, So

    1998-01-01

    By combining a separation method due to molecular weight and a method to distinguish difference of mono-bases, it was aimed to develop a two dimensional single chain DNA labeled with Radioisotope (RI). From electrophoretic pattern difference of parent and variant strands, it was investigated to isolate the root module implantation control gene. At first, a Single Strand Conformation Polymorphism (SSCP) method using concentration gradient gel was investigated. As a result, it was formed that intervals between double chain and single chain DNAs expanded, but intervals of both single chain DNAs did not expand. On next, combination of non-modified acrylic amide electrophoresis method and Denaturing Gradient-Gel Electrophoresis (DGGE) method was examined. As a result, hybrid DNA developed by two dimensional electrophoresis arranged on two lines. But, among them a band of DNA modified by high concentration of urea could not be found. Therefore, in this fiscal year's experiments, no preferable result could be obtained. By the used method, it was thought to be impossible to detect the differences. (G.K.)

  20. Two-site jumps in dimethyl sulfone studied by one- and two-dimensional 17O NMR spectroscopy

    Science.gov (United States)

    Beerwerth, J.; Storek, M.; Greim, D.; Lueg, J.; Siegel, R.; Cetinkaya, B.; Hiller, W.; Zimmermann, H.; Senker, J.; Böhmer, R.

    2018-03-01

    Polycrystalline dimethyl sulfone is studied using central-transition oxygen-17 exchange NMR. The quadrupolar and chemical shift tensors are determined by combining quantum chemical calculations with line shape analyses of rigid-lattice spectra measured for stationary and rotating samples at several external magnetic fields. Quantum chemical computations predict that the largest principal axes of the chemical shift anisotropy and electrical field gradient tensors enclose an angle of about 73°. This prediction is successfully tested by comparison with absorption spectra recorded at three different external magnetic fields. The experimental one-dimensional motionally narrowed spectra and the two-dimensional exchange spectrum are compatible with model calculations involving jumps of the molecules about their two-fold symmetry axis. This motion is additionally investigated by means of two-time stimulated-echo spectroscopy which allows for a determination of motional correlation functions over a wider temperature range than previously reported using carbon and deuteron NMR. On the basis of suitable second-order quadrupolar frequency distributions, sin-sin stimulated-echo amplitudes are calculated for a two-site model in the limit of vanishing evolution time and compared with experimental findings. The present study thus establishes oxygen-17 NMR as a powerful method that will be particularly useful for the study of solids and liquids devoid of nuclei governed by first-order anisotropies.

  1. Relationship between recombinant protein expression and host metabolome as determined by two-dimensional NMR spectroscopy.

    Directory of Open Access Journals (Sweden)

    Young Kee Chae

    Full Text Available Escherichia coli has been the most widely used host to produce large amounts of heterologous proteins. However, given an input plasmid DNA, E. coli may produce soluble protein, produce only inclusion bodies, or yield little or no protein at all. Many efforts have been made to surmount these problems, but most of them have involved time-consuming and labor-intensive trial-and-error. We hypothesized that different metabolomic fingerprints might be associated with different protein production outcomes. If so, then it might be possible to change the expression pattern by manipulating the metabolite environment. As a first step in testing this hypothesis, we probed a subset of the intracellular metabolites by partially labeling it with 13C-glucose. We tested 71 genes and identified 17 metabolites by employing the two-dimensional NMR spectroscopy. The statistical analysis showed that there existed the metabolite compositions favoring protein production. We hope that this work would help devise a systematic and predictive approach to the recombinant protein production.

  2. Generalized similarity method in unsteady two-dimensional MHD ...

    African Journals Online (AJOL)

    user

    International Journal of Engineering, Science and Technology. Vol. 1, No. 1, 2009 ... temperature two-dimensional MHD laminar boundary layer of incompressible fluid. ...... Φ η is Blasius solution for stationary boundary layer on the plate,. ( ). 0.

  3. Matrix method for two-dimensional waveguide mode solution

    Science.gov (United States)

    Sun, Baoguang; Cai, Congzhong; Venkatesh, Balajee Seshasayee

    2018-05-01

    In this paper, we show that the transfer matrix theory of multilayer optics can be used to solve the modes of any two-dimensional (2D) waveguide for their effective indices and field distributions. A 2D waveguide, even composed of numerous layers, is essentially a multilayer stack and the transmission through the stack can be analysed using the transfer matrix theory. The result is a transfer matrix with four complex value elements, namely A, B, C and D. The effective index of a guided mode satisfies two conditions: (1) evanescent waves exist simultaneously in the first (cladding) layer and last (substrate) layer, and (2) the complex element D vanishes. For a given mode, the field distribution in the waveguide is the result of a 'folded' plane wave. In each layer, there is only propagation and absorption; at each boundary, only reflection and refraction occur, which can be calculated according to the Fresnel equations. As examples, we show that this method can be used to solve modes supported by the multilayer step-index dielectric waveguide, slot waveguide, gradient-index waveguide and various plasmonic waveguides. The results indicate the transfer matrix method is effective for 2D waveguide mode solution in general.

  4. Enhanced 29Si spin-lattice relaxation and observation of three-dimensional lattice connectivity in zeolites by two-dimensional 29Si MASS NMR

    International Nuclear Information System (INIS)

    Sivadinarayana, C.; Choudhary, V.R.; Ganapathy, S.

    1994-01-01

    It is shown that considerable sensitivity enhancement is achieved in the 29 Si magic angle sample spinning (MASS) NMR spectra of highly siliceous zeolites by pre treating the material with oxygen. The presence of adsorbed molecular oxygen in zeolite channels promotes an efficient 29 Si spin-lattice relaxation via a paramagnetic interaction between the lattice 29 Si T-site and the adsorbed oxygen on zeolite channels. This affords an efficient 2-D data collection and leads to increased sensitivity. The utility of this method is demonstrated in a two-dimensional COSY-45 NMR experiment of a high silica zeolite ZSM-5. (author). 20 refs., 3 figs., 1 tab

  5. Determination of structure of oriented samples using two-dimensional solid state NMR techniques

    International Nuclear Information System (INIS)

    Jin Hong; Harbison, G.S.

    1990-01-01

    One dimensional and two-dimensional MAS techniques can give detailed information about the structure and dynamics of oriented systems. We describe the application of such techniques to the liquid-crystalline polymer poly(p-phenyleneterphtalimide) (PPTA), and thence deduce the solid-state structure of the material. (author). 9 refs.; 6 figs

  6. Two-dimensional NMR spectroscopy as a tool to link soil organic matter composition to ecosystem processes

    Science.gov (United States)

    Soucemarianadin, Laure; Erhagen, Björn; Öquist, Mats; Nilsson, Mats; Schleucher, Jürgen

    2014-05-01

    Environmental factors (e.g. temperature and moisture) and the size and composition of soil microbial populations are often considered the main drivers of soil organic matter (SOM) mineralization. Less consideration is given to the role of SOM as a substrate for microbial metabolism and the importance of the organo-chemical composition of SOM on decomposition. In addition, a fraction of the SOM is often considered as recalcitrant to mineralization leading to accumulation of SOM. However, recently the concept of intrinsic recalcitrance of SOM to mineralization has been questioned. The challenge in investigating the role of SOM composition on its mineralization to a large extent stems from the difficulties in obtaining high resolution characterization of a very complex matrix. 13C nuclear magnetic resonance (NMR) spectroscopy is a widely used tool to characterize SOM. However, SOM is a very complex mixture and in the resulting 13C NMR spectra, the identified functional groups may represent different molecular fragments that appear in the same spectral region leading to broad peaks. These overlaps defy attempts to identify molecular moieties, and this makes it impossible to derive information at a resolution needed for evaluating e.g. recalcitrance of SOM. Here we applied a method, developed in wood science for the pulp paper industry, to achieve a better characterization of SOM. We directly dissolved finely ground organic layers of boreal forest floors-litters, fibric and humic horizons of both coniferous and broadleaved stands-in dimethyl sulfoxide and analyzed the resulting solution with a two-dimensional (2D) 1H-13C NMR experiment. We will discuss methodological aspects related to the ability to identify and quantify individual molecular moieties in SOM. We will demonstrate how the spectra resolve signals of CH groups in a 2D plane determined by the 13C and 1H chemical shifts, thereby vastly increasing the resolving power and information content of NMR spectra. The

  7. Uniform and selective deuteration in two-dimensional NMR of proteins

    International Nuclear Information System (INIS)

    LeMaster, D.M.

    1990-01-01

    This paper reports on the practicality of isotopic labeling, particularly deuteration, that has received considerable impetus from advances in molecular biology, which have allowed ready production of NMR quantities of labeled proteins. Protein expression in Escherichia coli allows use of the considerable metabolic genetics known for the organism in shaping the biosynthetic process to meet the labeling demands of the NMR experiments. In addition to deuteration's common use in spectral assignment problems, it also offers considerable potential for enhancing the quality of the nuclear Overhauser effect (NOE) distance and dihedral angle constraints used for solution structural analysis of proteins. Recent reviews emphasize the sample preparation and spectral benefits of protein deuteration

  8. Two-Dimensional NMR Evidence for Cleavage of Lignin and Xylan Substituents in Wheat Straw Through Hydrothermal Pretreatment and Enzymatic Hydrolysis

    Science.gov (United States)

    Daniel J. Yelle; Prasad Kaparaju; Christopher G. Hunt; Kolby Hirth; Hoon Kim; John Ralph; Claus Felby

    2012-01-01

    Solution-state two-dimensional (2D) nuclear magnetic resonance (NMR) spectroscopy of plant cell walls is a powerful tool for characterizing changes in cell wall chemistry during the hydrothermal pretreatment process of wheat straw for second-generation bioethanol production. One-bond 13C-1H NMR correlation spectroscopy, via...

  9. Theories to support method development in comprehensive two-dimensional liquid chromatography - A review

    NARCIS (Netherlands)

    Bedani, F.; Schoenmakers, P.J.; Janssen, H.-G.

    2012-01-01

    On-line comprehensive two-dimensional liquid chromatography techniques promise to resolve samples that current one-dimensional liquid chromatography methods cannot adequately deal with. To make full use of the potential of two-dimensional liquid chromatography, optimization is required. Optimization

  10. TreePM Method for Two-Dimensional Cosmological Simulations ...

    Indian Academy of Sciences (India)

    R. Narasimhan (Krishtel eMaging) 1461 1996 Oct 15 13:05:22

    We discuss the integration of the equations of motion that we use in the 2d TreePM code in section 7. .... spaced values of r in order to keep interpolation errors in control. .... hence we cannot use the usual leap-frog method. We recast the ...

  11. Two-dimensional isostatic meshes in the finite element method

    OpenAIRE

    Martínez Marín, Rubén; Samartín, Avelino

    2002-01-01

    In a Finite Element (FE) analysis of elastic solids several items are usually considered, namely, type and shape of the elements, number of nodes per element, node positions, FE mesh, total number of degrees of freedom (dot) among others. In this paper a method to improve a given FE mesh used for a particular analysis is described. For the improvement criterion different objective functions have been chosen (Total potential energy and Average quadratic error) and the number of nodes and dof's...

  12. Method and apparatus for two-dimensional spectroscopy

    Science.gov (United States)

    DeCamp, Matthew F.; Tokmakoff, Andrei

    2010-10-12

    Preferred embodiments of the invention provide for methods and systems of 2D spectroscopy using ultrafast, first light and second light beams and a CCD array detector. A cylindrically-focused second light beam interrogates a target that is optically interactive with a frequency-dispersed excitation (first light) pulse, whereupon the second light beam is frequency-dispersed at right angle orientation to its line of focus, so that the horizontal dimension encodes the spatial location of the second light pulse and the first light frequency, while the vertical dimension encodes the second light frequency. Differential spectra of the first and second light pulses result in a 2D frequency-frequency surface equivalent to double-resonance spectroscopy. Because the first light frequency is spatially encoded in the sample, an entire surface can be acquired in a single interaction of the first and second light pulses.

  13. Moderator feedback effects in two-dimensional nodal methods for pressurized water reactor analysis

    International Nuclear Information System (INIS)

    Downar, T.J.

    1987-01-01

    A method was developed for incorporating moderator feedback effects in two-dimensional nodal codes used for pressurized water reactor (PWR) neutronic analysis. Equations for the assembly average quality and density are developed in terms of the assembly power calculated in two dimensions. The method is validated with a Westinghouse PWR using the Electric Power Research Institute code SIMULATE-E. Results show a several percent improvement is achieved in the two-dimensional power distribution prediction compared to methods without moderator feedback

  14. Two-dimensional NMR spectroscopy links structural moieties of soil organic matter to the temperature sensitivity of its decomposition

    Science.gov (United States)

    Soucemarianadin, Laure; Erhagen, Björn; Öquist, Mats; Nilsson, Mats; Schleucher, Jürgen

    2015-04-01

    Soil organic matter (SOM) represents a huge carbon pool, specifically in boreal ecosystems. Warming-induced release of large amounts of CO2 from the soil carbon pool might become a significant exacerbating feedback to global warming, if decomposition rates of boreal soils were more sensitive to increased temperatures. Despite a large number of studies dedicated to the topic, it has proven difficult to elucidate how the organo-chemical composition of SOM influences its decomposition, or its quality as a substrate for microbial metabolism. A great part of this challenge results from our inability to achieve a detailed characterization of the complex composition of SOM on the level of molecular structural moieties. 13C nuclear magnetic resonance (NMR) spectroscopy is a common tool to characterize SOM. However, SOM is a very complex mixture and the chemical shift regions distinguished in the 13C NMR spectra often represent many different molecular fragments. For example, in the carbohydrates region, signals of all monosaccharides present in many different polymers overlap. This overlap thwarts attempts to identify molecular moieties, resulting in insufficient information to characterize SOM composition. We applied two-dimensional (2D) NMR to characterize SOM with highly increased resolution. We directly dissolved finely ground litters and forest floors'fibric and humic horizons'of both coniferous and deciduous boreal forests in dimethyl sulfoxide and analyzed the resulting solution with a 2D 1H-13C NMR experiment. In the 2D planes of these spectra, signals of CH groups can be resolved based on their 13C and 1H chemical shifts, hence the resolving power and information content of these NMR spectra is hugely increased. The 2D spectra indeed resolved overlaps observed in 1D 13C spectra, so that hundreds of distinct CH groups could be observed and many molecular fragments could be identified. For instance, in the aromatics region, signals from individual lignin units could

  15. A numerical method for two-dimensional anisotropic transport problem in cylindrical geometry

    International Nuclear Information System (INIS)

    Du Mingsheng; Feng Tiekai; Fu Lianxiang; Cao Changshu; Liu Yulan

    1988-01-01

    The authors deal with the triangular mesh-discontinuous finite element method for solving the time-dependent anisotropic neutron transport problem in two-dimensional cylindrical geometry. A prior estimate of the numerical solution is given. Stability is proved. The authors have computed a two dimensional anisotropic neutron transport problem and a Tungsten-Carbide critical assembly problem by using the numerical method. In comparision with DSN method and the experimental results obtained by others both at home and abroad, the method is satisfactory

  16. Peculiarities of cyclotron magnetic system calculation with the finite difference method using two-dimensional approximation

    International Nuclear Information System (INIS)

    Shtromberger, N.L.

    1989-01-01

    To design a cyclotron magnetic system the legitimacy of two-dimensional approximations application is discussed. In all the calculations the finite difference method is used, and the linearization method with further use of the gradient conjugation method is used to solve the set of finite-difference equations. 3 refs.; 5 figs

  17. A Two-Dimensional Solar Tracking Stationary Guidance Method Based on Feature-Based Time Series

    Directory of Open Access Journals (Sweden)

    Keke Zhang

    2018-01-01

    Full Text Available The amount of satellite energy acquired has a direct impact on operational capacities of the satellite. As for practical high functional density microsatellites, solar tracking guidance design of solar panels plays an extremely important role. Targeted at stationary tracking problems incurred in a new system that utilizes panels mounted in the two-dimensional turntable to acquire energies to the greatest extent, a two-dimensional solar tracking stationary guidance method based on feature-based time series was proposed under the constraint of limited satellite attitude coupling control capability. By analyzing solar vector variation characteristics within an orbit period and solar vector changes within the whole life cycle, such a method could be adopted to establish a two-dimensional solar tracking guidance model based on the feature-based time series to realize automatic switching of feature-based time series and stationary guidance under the circumstance of different β angles and the maximum angular velocity control, which was applicable to near-earth orbits of all orbital inclination. It was employed to design a two-dimensional solar tracking stationary guidance system, and a mathematical simulation for guidance performance was carried out in diverse conditions under the background of in-orbit application. The simulation results show that the solar tracking accuracy of two-dimensional stationary guidance reaches 10∘ and below under the integrated constraints, which meet engineering application requirements.

  18. A two-dimensional adaptive numerical grids generation method and its realization

    International Nuclear Information System (INIS)

    Xu Tao; Shui Hongshou

    1998-12-01

    A two-dimensional adaptive numerical grids generation method and its particular realization is discussed. This method is effective and easy to realize if the control functions are given continuously, and the grids for some regions is showed in this case. For Computational Fluid Dynamics, because the control values of adaptive grids-numerical solution is given in dispersed form, it is needed to interpolate these values to get the continuous control functions. These interpolation techniques are discussed, and some efficient adaptive grids are given. A two-dimensional fluid dynamics example was also given

  19. Structure of the oligosaccharide of hen phosvitin as determined by two-dimensional 1H NMR of the intact glycoprotein

    International Nuclear Information System (INIS)

    Brockbank, R.L.; Vogel, H.J.

    1990-01-01

    The major form of the oligosaccharide of hen phosvitin was studied with two-dimensional 1 H NMR of the intact glycoprotein. Its structure was determined from an analysis of the chemical shifts of the structural reporter groups, and it was further confirmed by comparison to several related model oligosaccharides. The oligosaccharide is N-linked and is present in a 1:1 stoichiometry to the protein. It has a complex type 1 triantennary structure with two NeuAcα2,6Ga1β1,4G1cNAcβ1,2 arms linked to the Man-4 and Man-4' and a third Ga1β1,4G1cNAcβ1, 4 arm attached to the Man-4. the oligosaccharide contains the common core sequence which is present in all N-linked glycoproteins [Manα1,3(Manα1,6)Manβ1,4G1cNAcβ1,4G1cNAcβ1,N]. In the course of this study, we have found that unique spin systems for the G1cNAc and NeuAc are obtained for spectra recorded in 90% H 2 O. Their NH peaks were assigned at low pH, and these assignments proved useful for confirming the identify of cross-peaks in the anomeric region. In addition, the protons of G1cNAc-1 could be correlated to the NH of the asparagine link. The cross-peak patterns determined in phase-sensitive 2D experiments for the H1,H2 protons have a different appearance for each type of monosaccharide, and this information was also used for making first-order assignments. A comparison with model compounds suggests that the solution conformation of the oligosaccharide is not affected by its attachment to the protein

  20. Newton-sor iterative method for solving the two-dimensional porous ...

    African Journals Online (AJOL)

    In this paper, we consider the application of the Newton-SOR iterative method in obtaining the approximate solution of the two-dimensional porous medium equation (2D PME). The nonlinear finite difference approximation equation to the 2D PME is derived by using the implicit finite difference scheme. The developed ...

  1. Geotechnical applications of a two-dimensional elastodynamic displacement discontinuity method

    CSIR Research Space (South Africa)

    Siebrits, E

    1993-12-01

    Full Text Available A general two-dimensional elastodynamic displacement discontinuity method is used to model a variety of application problems. The plane strain problems are: the elastodynamic motions induced on a cavity by shear slip on a nearby crack; the dynamic...

  2. Correlation based method for comparing and reconstructing quasi-identical two-dimensional structures

    International Nuclear Information System (INIS)

    Mejia-Barbosa, Y.

    2000-03-01

    We show a method for comparing and reconstructing two similar amplitude-only structures, which are composed by the same number of identical apertures. The structures are two-dimensional and differ only in the location of one of the apertures. The method is based on a subtraction algorithm, which involves the auto-correlations and cross-correlation functions of the compared structures. Experimental results illustrate the feasibility of the method. (author)

  3. Comparison of preconditioned generalized conjugate gradient methods to two-dimensional neutron and photon transport equation

    International Nuclear Information System (INIS)

    Chen, G.S.

    1997-01-01

    We apply and compare the preconditioned generalized conjugate gradient methods to solve the linear system equation that arises in the two-dimensional neutron and photon transport equation in this paper. Several subroutines are developed on the basis of preconditioned generalized conjugate gradient methods for time-independent, two-dimensional neutron and photon transport equation in the transport theory. These generalized conjugate gradient methods are used. TFQMR (transpose free quasi-minimal residual algorithm), CGS (conjuage gradient square algorithm), Bi-CGSTAB (bi-conjugate gradient stabilized algorithm) and QMRCGSTAB (quasi-minimal residual variant of bi-conjugate gradient stabilized algorithm). These sub-routines are connected to computer program DORT. Several problems are tested on a personal computer with Intel Pentium CPU. (author)

  4. Two-dimensional nuclear magnetic resonance spectroscopy

    International Nuclear Information System (INIS)

    Bax, A.; Lerner, L.

    1986-01-01

    Great spectral simplification can be obtained by spreading the conventional one-dimensional nuclear magnetic resonance (NMR) spectrum in two independent frequency dimensions. This so-called two-dimensional NMR spectroscopy removes spectral overlap, facilitates spectral assignment, and provides a wealth of additional information. For example, conformational information related to interproton distances is available from resonance intensities in certain types of two-dimensional experiments. Another method generates 1 H NMR spectra of a preselected fragment of the molecule, suppressing resonances from other regions and greatly simplifying spectral appearance. Two-dimensional NMR spectroscopy can also be applied to the study of 13 C and 15 N, not only providing valuable connectivity information but also improving sensitivity of 13 C and 15 N detection by up to two orders of magnitude. 45 references, 10 figures

  5. Calculation of two-dimensional thermal transients by the finite element method

    International Nuclear Information System (INIS)

    Fontoura Rodrigues, J.L.A. da; Barcellos, C.S. de

    1981-01-01

    The linear heat conduction through anisotropic and/or heterogeneous matter, in either two-dimensional fields with any kind of geometry or three-dimensional fields with axial symmetry is analysed. It only accepts time-independent boundary conditions and it is possible to have internal heat generation. The solution is obtained by modal analysis employing the finite element method under Galerkin formulation. (Author) [pt

  6. Moment-based method for computing the two-dimensional discrete Hartley transform

    Science.gov (United States)

    Dong, Zhifang; Wu, Jiasong; Shu, Huazhong

    2009-10-01

    In this paper, we present a fast algorithm for computing the two-dimensional (2-D) discrete Hartley transform (DHT). By using kernel transform and Taylor expansion, the 2-D DHT is approximated by a linear sum of 2-D geometric moments. This enables us to use the fast algorithms developed for computing the 2-D moments to efficiently calculate the 2-D DHT. The proposed method achieves a simple computational structure and is suitable to deal with any sequence lengths.

  7. Soliton solutions of the two-dimensional KdV-Burgers equation by homotopy perturbation method

    International Nuclear Information System (INIS)

    Molabahrami, A.; Khani, F.; Hamedi-Nezhad, S.

    2007-01-01

    In this Letter, the He's homotopy perturbation method (HPM) to finding the soliton solutions of the two-dimensional Korteweg-de Vries Burgers' equation (tdKdVB) for the initial conditions was applied. Numerical solutions of the equation were obtained. The obtained solutions, in comparison with the exact solutions admit a remarkable accuracy. The results reveal that the HPM is very effective and simple

  8. Metabolic profiling based on two-dimensional J-resolved 1H NMR data and parallel factor analysis

    DEFF Research Database (Denmark)

    Yilmaz, Ali; Nyberg, Nils T; Jaroszewski, Jerzy W.

    2011-01-01

    the intensity variances along the chemical shift axis are taken into account. Here, we describe the use of parallel factor analysis (PARAFAC) as a tool to preprocess a set of two-dimensional J-resolved spectra with the aim of keeping the J-coupling information intact. PARAFAC is a mathematical decomposition......-model was done automatically by evaluating amount of explained variance and core consistency values. Score plots showing the distribution of objects in relation to each other, and loading plots in the form of two-dimensional pseudo-spectra with the same appearance as the original J-resolved spectra...

  9. Two-dimensional differential transform method for solving linear and non-linear Schroedinger equations

    International Nuclear Information System (INIS)

    Ravi Kanth, A.S.V.; Aruna, K.

    2009-01-01

    In this paper, we propose a reliable algorithm to develop exact and approximate solutions for the linear and nonlinear Schroedinger equations. The approach rest mainly on two-dimensional differential transform method which is one of the approximate methods. The method can easily be applied to many linear and nonlinear problems and is capable of reducing the size of computational work. Exact solutions can also be achieved by the known forms of the series solutions. Several illustrative examples are given to demonstrate the effectiveness of the present method.

  10. A high-speed computerized tomography image reconstruction using direct two-dimensional Fourier transform method

    International Nuclear Information System (INIS)

    Niki, Noboru; Mizutani, Toshio; Takahashi, Yoshizo; Inouye, Tamon.

    1983-01-01

    The nescessity for developing real-time computerized tomography (CT) aiming at the dynamic observation of organs such as hearts has lately been advocated. It is necessary for its realization to reconstruct the images which are markedly faster than present CTs. Although various reconstructing methods have been proposed so far, the method practically employed at present is the filtered backprojection (FBP) method only, which can give high quality image reconstruction, but takes much computing time. In the past, the two-dimensional Fourier transform (TFT) method was regarded as unsuitable to practical use because the quality of images obtained was not good, in spite of the promising method for high speed reconstruction because of its less computing time. However, since it was revealed that the image quality by TFT method depended greatly on interpolation accuracy in two-dimensional Fourier space, the authors have developed a high-speed calculation algorithm that can obtain high quality images by pursuing the relationship between the image quality and the interpolation method. In this case, radial data sampling points in Fourier space are increased to β-th power of 2 times, and the linear or spline interpolation is used. Comparison of this method with the present FBP method resulted in the conclusion that the image quality is almost the same in practical image matrix, the computational time by TFT method becomes about 1/10 of FBP method, and the memory capacity also reduces by about 20 %. (Wakatsuki, Y.)

  11. Approximate solutions of the two-dimensional integral transport equation by collision probability methods

    International Nuclear Information System (INIS)

    Sanchez, Richard

    1977-01-01

    A set of approximate solutions for the isotropic two-dimensional neutron transport problem has been developed using the Interface Current formalism. The method has been applied to regular lattices of rectangular cells containing a fuel pin, cladding and water, or homogenized structural material. The cells are divided into zones which are homogeneous. A zone-wise flux expansion is used to formulate a direct collision probability problem within a cell. The coupling of the cells is made by making extra assumptions on the currents entering and leaving the interfaces. Two codes have been written: the first uses a cylindrical cell model and one or three terms for the flux expansion; the second uses a two-dimensional flux representation and does a truly two-dimensional calculation inside each cell. In both codes one or three terms can be used to make a space-independent expansion of the angular fluxes entering and leaving each side of the cell. The accuracies and computing times achieved with the different approximations are illustrated by numerical studies on two benchmark pr

  12. Two-Dimensional Space-Time Dependent Multi-group Diffusion Equation with SLOR Method

    International Nuclear Information System (INIS)

    Yulianti, Y.; Su'ud, Z.; Waris, A.; Khotimah, S. N.

    2010-01-01

    The research of two-dimensional space-time diffusion equations with SLOR (Successive-Line Over Relaxation) has been done. SLOR method is chosen because this method is one of iterative methods that does not required to defined whole element matrix. The research is divided in two cases, homogeneous case and heterogeneous case. Homogeneous case has been inserted by step reactivity. Heterogeneous case has been inserted by step reactivity and ramp reactivity. In general, the results of simulations are agreement, even in some points there are differences.

  13. Calculation of two-dimensional thermal transients by the method of finite elements

    International Nuclear Information System (INIS)

    Fontoura Rodrigues, J.L.A. da.

    1980-08-01

    The unsteady linear heat conduction analysis throught anisotropic and/or heterogeneous matter, in either two-dimensional fields with any kind of geometry or three-dimensional fields with axial symmetry is presented. The boundary conditions and the internal heat generation are supposed time - independent. The solution is obtained by modal analysis employing the finite element method under Galerkin formulation. Optionally, it can be used with a reduced resolution method called Stoker Economizing Method wich allows a decrease on the program processing costs. (Author) [pt

  14. Two-dimensional parasitic capacitance extraction for integrated circuit with dual discrete geometric methods

    International Nuclear Information System (INIS)

    Ren Dan; Ren Zhuoxiang; Qu Hui; Xu Xiaoyu

    2015-01-01

    Capacitance extraction is one of the key issues in integrated circuits and also a typical electrostatic problem. The dual discrete geometric method (DGM) is investigated to provide relative solutions in two-dimensional unstructured mesh space. The energy complementary characteristic and quick field energy computation thereof based on it are emphasized. Contrastive analysis between the dual finite element methods and the dual DGMs are presented both from theoretical derivation and through case studies. The DGM, taking the scalar potential as unknown on dual interlocked meshes, with simple form and good accuracy, is expected to be one of the mainstreaming methods in associated areas. (paper)

  15. Approximate solutions for the two-dimensional integral transport equation. The critically mixed methods of resolution

    International Nuclear Information System (INIS)

    Sanchez, Richard.

    1980-11-01

    This work is divided into two part the first part (note CEA-N-2165) deals with the solution of complex two-dimensional transport problems, the second one treats the critically mixed methods of resolution. These methods are applied for one-dimensional geometries with highly anisotropic scattering. In order to simplify the set of integral equation provided by the integral transport equation, the integro-differential equation is used to obtain relations that allow to lower the number of integral equation to solve; a general mathematical and numerical study is presented [fr

  16. High-speed fan-beam reconstruction using direct two-dimensional Fourier transform method

    International Nuclear Information System (INIS)

    Niki, Noboru; Mizutani, Toshio; Takahashi, Yoshizo; Inouye, Tamon.

    1984-01-01

    Since the first development of X-ray computer tomography (CT), various efforts have been made to obtain high quality of high-speed image. However, the development of high resolution CT and the ultra-high speed CT to be applied to hearts is still desired. The X-ray beam scanning method was already changed from the parallel beam system to the fan-beam system in order to greatly shorten the scanning time. Also, the filtered back projection (DFBP) method has been employed to directly processing fan-beam projection data as reconstruction method. Although the two-dimensional Fourier transform (TFT) method significantly faster than FBP method was proposed, it has not been sufficiently examined for fan-beam projection data. Thus, the ITFT method was investigated, which first executes rebinning algorithm to convert the fan-beam projection data to the parallel beam projection data, thereafter, uses two-dimensional Fourier transform. By this method, although high speed is expected, the reconstructed images might be degraded due to the adoption of rebinning algorithm. Therefore, the effect of the interpolation error of rebinning algorithm on the reconstructed images has been analyzed theoretically, and finally, the result of the employment of spline interpolation which allows the acquisition of high quality images with less errors has been shown by the numerical and visual evaluation based on simulation and actual data. Computation time was reduced to 1/15 for the image matrix of 512 and to 1/30 for doubled matrix. (Wakatsuki, Y.)

  17. Modified Splitting FDTD Methods for Two-Dimensional Maxwell’s Equations

    Directory of Open Access Journals (Sweden)

    Liping Gao

    2017-01-01

    Full Text Available In this paper, we develop a new method to reduce the error in the splitting finite-difference method of Maxwell’s equations. By this method two modified splitting FDTD methods (MS-FDTDI, MS-FDTDII for the two-dimensional Maxwell equations are proposed. It is shown that the two methods are second-order accurate in time and space and unconditionally stable by Fourier methods. By energy method, it is proved that MS-FDTDI is second-order convergent. By deriving the numerical dispersion (ND relations, we prove rigorously that MS-FDTDI has less ND errors than the ADI-FDTD method and the ND errors of ADI-FDTD are less than those of MS-FDTDII. Numerical experiments for computing ND errors and simulating a wave guide problem and a scattering problem are carried out and the efficiency of the MS-FDTDI and MS-FDTDII methods is confirmed.

  18. The discrete cones method for two-dimensional neutron transport calculations

    International Nuclear Information System (INIS)

    Watanabe, Y.; Maynard, C.W.

    1986-01-01

    A novel method, the discrete cones method (DC/sub N/), is proposed as an alternative to the discrete ordinates method (S/sub N/) for solutions of the two-dimensional neutron transport equation. The new method utilizes a new concept, discrete cones, which are made by partitioning a unit spherical surface that the direction vector of particles covers. In this method particles in a cone are simultaneously traced instead of those in discrete directions so that an anomaly of the S/sub N/ method, the ray effects, can be eliminated. The DC/sub N/ method has been formulated for X-Y geometry and a program has been creaed by modifying the standard S/sub N/ program TWOTRAN-II. Our sample calculations demonstrate a strong mitigation of the ray effects without a computing cost penalty

  19. The discrete cones methods for two-dimensional neutral particle transport problems with voids

    International Nuclear Information System (INIS)

    Watanabe, Y.; Maynard, C.W.

    1983-01-01

    One of the most widely applied deterministic methods for time-independent, two-dimensional neutron transport calculations is the discrete ordinates method (DSN). The DSN solution, however, fails to be accurate in a void due to the ray effect. In order to circumvent this drawback, the authors have been developing a novel approximation: the discrete cones method (DCN), where a group of particles in a cone are simultaneously traced instead of particles in discrete directions for the DSN method. Programs, which apply to the DSN method in a non-vacuum region and the DCN method in a void, have been written for transport calculations in X-Y coordinates. The solutions for test problems demonstrate mitigation of the ray effect in voids without loosing the computational efficiency of the DSN method

  20. New method for thickness determination and microscopic imaging of graphene-like two-dimensional materials

    International Nuclear Information System (INIS)

    Qin Xudong; Chen Yonghai; Liu Yu; Zhu Laipan; Li Yuan; Wu Qing; Huang Wei

    2016-01-01

    We employed the microscopic reflectance difference spectroscopy (micro-RDS) to determine the layer-number and microscopically image the surface topography of graphene and MoS 2 samples. The contrast image shows the efficiency and reliability of this new clipping technique. As a low-cost, quantifiable, no-contact and non-destructive method, it is not concerned with the characteristic signal of certain materials and can be applied to arbitrary substrates. Therefore it is a perfect candidate for characterizing the thickness of graphene-like two-dimensional materials. (paper)

  1. The ADO-nodal method for solving two-dimensional discrete ordinates transport problems

    International Nuclear Information System (INIS)

    Barichello, L.B.; Picoloto, C.B.; Cunha, R.D. da

    2017-01-01

    Highlights: • Two-dimensional discrete ordinates neutron transport. • Analytical Discrete Ordinates (ADO) nodal method. • Heterogeneous media fixed source problems. • Local solutions. - Abstract: In this work, recent results on the solution of fixed-source two-dimensional transport problems, in Cartesian geometry, are reported. Homogeneous and heterogeneous media problems are considered in order to incorporate the idea of arbitrary number of domain division into regions (nodes) when applying the ADO method, which is a method of analytical features, to those problems. The ADO-nodal formulation is developed, for each node, following previous work devoted to heterogeneous media problem. Here, however, the numerical procedure is extended to higher number of domain divisions. Such extension leads, in some cases, to the use of an iterative method for solving the general linear system which defines the arbitrary constants of the general solution. In addition to solve alternative heterogeneous media configurations than reported in previous works, the present approach allows comparisons with results provided by other metodologies generated with refined meshes. Numerical results indicate the ADO solution may achieve a prescribed accuracy using coarser meshes than other schemes.

  2. Comparison of preconditioned generalized conjugate gradient methods to two-dimensional neutron and photon transport equation

    International Nuclear Information System (INIS)

    Chen, G.S.; Yang, D.Y.

    1998-01-01

    We apply and compare the preconditioned generalized conjugate gradient methods to solve the linear system equation that arises in the two-dimensional neutron and photon transport equation in this paper. Several subroutines are developed on the basis of preconditioned generalized conjugate gradient methods for time-independent, two-dimensional neutron and photon transport equation in the transport theory. These generalized conjugate gradient methods are used: TFQMR (transpose free quasi-minimal residual algorithm) CGS (conjugate gradient square algorithm), Bi-CGSTAB (bi-conjugate gradient stabilized algorithm) and QMRCGSTAB (quasi-minimal residual variant of bi-conjugate gradient stabilized algorithm). These subroutines are connected to computer program DORT. Several problems are tested on a personal computer with Intel Pentium CPU. The reasons to choose the generalized conjugate gradient methods are that the methods have better residual (equivalent to error) control procedures in the computation and have better convergent rate. The pointwise incomplete LU factorization ILU, modified pointwise incomplete LU factorization MILU, block incomplete factorization BILU and modified blockwise incomplete LU factorization MBILU are the preconditioning techniques used in the several testing problems. In Bi-CGSTAB, CGS, TFQMR and QMRCGSTAB method, we find that either CGS or Bi-CGSTAB method combined with preconditioner MBILU is the most efficient algorithm in these methods in the several testing problems. The numerical solution of flux by preconditioned CGS and Bi-CGSTAB methods has the same result as those from Cray computer, obtained by either the point successive relaxation method or the line successive relaxation method combined with Gaussian elimination

  3. Coupled DQ-FE methods for two dimensional transient heat transfer analysis of functionally graded material

    Energy Technology Data Exchange (ETDEWEB)

    Golbahar Haghighi, M.R.; Eghtesad, M. [Department of Mechanical Engineering, School of Engineering, Shiraz University, Shiraz 71348-51154 (Iran, Islamic Republic of); Malekzadeh, P. [Department of Mechanical Engineering, School of Engineering, Persian Gulf University, Boushehr 75169-13798 (Iran, Islamic Republic of)], E-mail: malekzadeh@pgu.ac.ir

    2008-05-15

    In this paper, a mixed finite element (FE) and differential quadrature (DQ) method as a simple, accurate and computationally efficient numerical tool for two dimensional transient heat transfer analysis of functionally graded materials (FGMs) is developed. The method benefits from the high accuracy, fast convergence behavior and low computational efforts of the DQ in conjunction with the advantages of the FE method in general geometry, loading and systematic boundary treatment. Also, the boundary conditions at the top and bottom surfaces of the domain can be implemented more precisely and in strong form. The temporal derivatives are discretized using an incremental DQ method (IDQM), whose numerical stability is not sensitive to time step size. The effects of non-uniform convective-radiative conditions on the boundaries are investigated. The accuracy of the proposed method is demonstrated by comparing its results with those available in the literature. It is shown that using few grid points, highly accurate results can be obtained.

  4. Fast Estimation Method of Space-Time Two-Dimensional Positioning Parameters Based on Hadamard Product

    Directory of Open Access Journals (Sweden)

    Haiwen Li

    2018-01-01

    Full Text Available The estimation speed of positioning parameters determines the effectiveness of the positioning system. The time of arrival (TOA and direction of arrival (DOA parameters can be estimated by the space-time two-dimensional multiple signal classification (2D-MUSIC algorithm for array antenna. However, this algorithm needs much time to complete the two-dimensional pseudo spectral peak search, which makes it difficult to apply in practice. Aiming at solving this problem, a fast estimation method of space-time two-dimensional positioning parameters based on Hadamard product is proposed in orthogonal frequency division multiplexing (OFDM system, and the Cramer-Rao bound (CRB is also presented. Firstly, according to the channel frequency domain response vector of each array, the channel frequency domain estimation vector is constructed using the Hadamard product form containing location information. Then, the autocorrelation matrix of the channel response vector for the extended array element in frequency domain and the noise subspace are calculated successively. Finally, by combining the closed-form solution and parameter pairing, the fast joint estimation for time delay and arrival direction is accomplished. The theoretical analysis and simulation results show that the proposed algorithm can significantly reduce the computational complexity and guarantee that the estimation accuracy is not only better than estimating signal parameters via rotational invariance techniques (ESPRIT algorithm and 2D matrix pencil (MP algorithm but also close to 2D-MUSIC algorithm. Moreover, the proposed algorithm also has certain adaptability to multipath environment and effectively improves the ability of fast acquisition of location parameters.

  5. Application of Nondimensional Dynamic Influence Function Method for Eigenmode Analysis of Two-Dimensional Acoustic Cavities

    Directory of Open Access Journals (Sweden)

    S. W. Kang

    2014-04-01

    Full Text Available This paper establishes an improved NDIF method for the eigenvalue extraction of two-dimensional acoustic cavities with arbitrary shapes. The NDIF method, which was introduced by the authors in 1999, gives highly accurate eigenvalues despite employing a small number of nodes. However, it needs the inefficient procedure of calculating the singularity of a system matrix in the frequency range of interest for extracting eigenvalues and mode shapes. The paper proposes a practical approach for overcoming the inefficient procedure by making the final system matrix equation of the NDIF method into a form of algebraic eigenvalue problem. The solution quality of the proposed method is investigated by obtaining the eigenvalues and mode shapes of a circular, a rectangular, and an arbitrarily shaped cavity.

  6. Finite element method with quadratic quadrilateral unit for solving two dimensional incompressible N-S equation

    International Nuclear Information System (INIS)

    Tao Ganqiang; Yu Qing; Xiao Xiao

    2011-01-01

    Viscous and incompressible fluid flow is important for numerous engineering mechanics problems. Because of high non linear and incompressibility for Navier-Stokes equation, it is very difficult to solve Navier-Stokes equation by numerical method. According to its characters of Navier-Stokes equation, quartic derivation controlling equation of the two dimensional incompressible Navier-Stokes equation is set up firstly. The method solves the problem for dealing with vorticity boundary and automatically meets incompressibility condition. Then Finite Element equation for Navier-Stokes equation is proposed by using quadratic quadrilateral unit with 8 nodes in which the unit function is quadratic and non linear.-Based on it, the Finite Element program of quadratic quadrilateral unit with 8 nodes is developed. Lastly, numerical experiment proves the accuracy and dependability of the method and also shows the method has good application prospect in computational fluid mechanics. (authors)

  7. Multiple Attribute Group Decision-Making Methods Based on Trapezoidal Fuzzy Two-Dimensional Linguistic Partitioned Bonferroni Mean Aggregation Operators.

    Science.gov (United States)

    Yin, Kedong; Yang, Benshuo; Li, Xuemei

    2018-01-24

    In this paper, we investigate multiple attribute group decision making (MAGDM) problems where decision makers represent their evaluation of alternatives by trapezoidal fuzzy two-dimensional uncertain linguistic variable. To begin with, we introduce the definition, properties, expectation, operational laws of trapezoidal fuzzy two-dimensional linguistic information. Then, to improve the accuracy of decision making in some case where there are a sort of interrelationship among the attributes, we analyze partition Bonferroni mean (PBM) operator in trapezoidal fuzzy two-dimensional variable environment and develop two operators: trapezoidal fuzzy two-dimensional linguistic partitioned Bonferroni mean (TF2DLPBM) aggregation operator and trapezoidal fuzzy two-dimensional linguistic weighted partitioned Bonferroni mean (TF2DLWPBM) aggregation operator. Furthermore, we develop a novel method to solve MAGDM problems based on TF2DLWPBM aggregation operator. Finally, a practical example is presented to illustrate the effectiveness of this method and analyses the impact of different parameters on the results of decision-making.

  8. Numerical solution of multi group-Two dimensional- Adjoint equation with finite element method

    International Nuclear Information System (INIS)

    Poursalehi, N.; Khalafi, H.; Shahriari, M.; Minoochehr

    2008-01-01

    Adjoint equation is used for perturbation theory in nuclear reactor design. For numerical solution of adjoint equation, usually two methods are applied. These are Finite Element and Finite Difference procedures. Usually Finite Element Procedure is chosen for solving of adjoint equation, because it is more use able in variety of geometries. In this article, Galerkin Finite Element method is discussed. This method is applied for numerical solving multi group, multi region and two dimensional (X, Y) adjoint equation. Typical reactor geometry is partitioned with triangular meshes and boundary condition for adjoint flux is considered zero. Finally, for a case of defined parameters, Finite Element Code was applied and results were compared with Citation Code

  9. Structural comparison of complexes of methotrexate analogues with Lactobacillus casei dihydrofolate reductase by two-dimensional 1H NMR at 500 MHz

    International Nuclear Information System (INIS)

    Hammond, S.J.; Birdsall, B.; Feeney, J.; Searle, M.S.; Roberts, G.C.K.; Cheung, H.T.A.

    1987-01-01

    The authors have used two-dimensional (2D) NMR methods to examine complexes of Lactobacillus casei dihydrofolate reductase and methotrexate (MTX) analogues having structural modifications of the benzoyl ring and also the glutamic acid moiety. Assignments of the 1 H signals in the spectra of the various complexes were made by comparison of their 2D spectra with those complexes containing methotrexate where we have previously assigned resonances from 32 of the 162 amino acid residues. In the complexes formed with the dihalomethotrexate analogues, the glutamic acid and pteridine ring moieties were shown to bind to the enzyme in a manner similar to that found in the methotrexate-enzyme complex. Perturbations in 1 H chemical shifts of protons in Phe-49, Leu-54, and Leu-27 and the methotrexate H7 and NMe protons were observed in the different complexes and were accounted for by changes in orientation of the benzoyl ring in the various complexes. Binding of oxidized or reduced coenzyme to the binary complexes did not result in different shifts for Leu-27, Leu-54, or Leu-19 protons, and thus, the orientation of the benzoyl ring of the methotrexate analogues is not perturbed greatly by the presence of either oxidized or reduced coenzyme. In the complex with the γ-monoamide analog, the 1 H signals of assigned residues in the protein had almost identical shifts with the corresponding protons in the methotrexate-enzyme complex for all residues except His-28 and, to a lesser extent, Leu-27. This indicates that while the His-28 interaction with the MTX γ-CO 2 - is no longer present in this complex with the γ-amide, there has not been a major change in the overall structure of the two complexes. This behavior contrasts to that of the α-amide complex where 1 H signals from protons in several amino acid residues are different compared with their values in the complex formed with methotrexate

  10. A two-dimensional, semi-analytic expansion method for nodal calculations

    International Nuclear Information System (INIS)

    Palmtag, S.P.

    1995-08-01

    Most modern nodal methods used today are based upon the transverse integration procedure in which the multi-dimensional flux shape is integrated over the transverse directions in order to produce a set of coupled one-dimensional flux shapes. The one-dimensional flux shapes are then solved either analytically or by representing the flux shape by a finite polynomial expansion. While these methods have been verified for most light-water reactor applications, they have been found to have difficulty predicting the large thermal flux gradients near the interfaces of highly-enriched MOX fuel assemblies. A new method is presented here in which the neutron flux is represented by a non-seperable, two-dimensional, semi-analytic flux expansion. The main features of this method are (1) the leakage terms from the node are modeled explicitly and therefore, the transverse integration procedure is not used, (2) the corner point flux values for each node are directly edited from the solution method, and a corner-point interpolation is not needed in the flux reconstruction, (3) the thermal flux expansion contains hyperbolic terms representing analytic solutions to the thermal flux diffusion equation, and (4) the thermal flux expansion contains a thermal to fast flux ratio term which reduces the number of polynomial expansion functions needed to represent the thermal flux. This new nodal method has been incorporated into the computer code COLOR2G and has been used to solve a two-dimensional, two-group colorset problem containing uranium and highly-enriched MOX fuel assemblies. The results from this calculation are compared to the results found using a code based on the traditional transverse integration procedure

  11. Viscosity of confined two-dimensional Yukawa liquids: A nonequilibrium method

    International Nuclear Information System (INIS)

    Landmann, S.; Kählert, H.; Thomsen, H.; Bonitz, M.

    2015-01-01

    We present a nonequilibrium method that allows one to determine the viscosity of two-dimensional dust clusters in an isotropic confinement. By applying a tangential external force to the outer parts of the cluster (e.g., with lasers), a sheared velocity profile is created. The decay of the angular velocity towards the center of the confinement potential is determined by a balance between internal (viscosity) and external friction (neutral gas damping). The viscosity can then be calculated from a fit of the measured velocity profile to a solution of the Navier-Stokes equation. Langevin dynamics simulations are used to demonstrate the feasibility of the method. We find good agreement of the measured viscosity with previous results for macroscopic Yukawa plasmas

  12. Application of synthesis methods to two-dimensional fast reactor transient study

    International Nuclear Information System (INIS)

    Izutsu, Sadayuki; Hirakawa, Naohiro

    1978-01-01

    Space time synthesis and time synthesis codes were developed and applied to the space-dependent kinetics benchmark problem of a two-dimensional fast reactor model, and it was found both methods are accurate and economical for the fast reactor kinetics study. Comparison between the space time synthesis and the time synthesis was made. Also, in space time synthesis, the influence of the number of trial functions on the error and on the computing time and the effect of degeneration of expansion coefficients are investigated. The matrix factorization method is applied to the inversion of the matrix equation derived from the synthesis equation, and it is indicated that by the use of this scheme space-dependent kinetics problem of a fast reactor can be solved efficiently by space time synthesis. (auth.)

  13. Experimental study on two-dimensional film flow with local measurement methods

    Energy Technology Data Exchange (ETDEWEB)

    Yang, Jin-Hwa, E-mail: evo03@snu.ac.kr [Nuclear Thermal-Hydraulic Engineering Laboratory, Seoul National University, Gwanak 599, Gwanak-ro, Gwanak-gu, Seoul 151-742 (Korea, Republic of); Korea Atomic Energy Research Institute, 989-111, Daedeok-daero, Yuseong-gu, Daejeon 305-600 (Korea, Republic of); Cho, Hyoung-Kyu [Nuclear Thermal-Hydraulic Engineering Laboratory, Seoul National University, Gwanak 599, Gwanak-ro, Gwanak-gu, Seoul 151-742 (Korea, Republic of); Kim, Seok [Korea Atomic Energy Research Institute, 989-111, Daedeok-daero, Yuseong-gu, Daejeon 305-600 (Korea, Republic of); Euh, Dong-Jin, E-mail: djeuh@kaeri.re.kr [Korea Atomic Energy Research Institute, 989-111, Daedeok-daero, Yuseong-gu, Daejeon 305-600 (Korea, Republic of); Park, Goon-Cherl [Nuclear Thermal-Hydraulic Engineering Laboratory, Seoul National University, Gwanak 599, Gwanak-ro, Gwanak-gu, Seoul 151-742 (Korea, Republic of)

    2015-12-01

    Highlights: • An experimental study on the two-dimensional film flow with lateral air injection was performed. • The ultrasonic thickness gauge was used to measure the local liquid film thickness. • The depth-averaged PIV (Particle Image Velocimetry) method was applied to measure the local liquid film velocity. • The uncertainty of the depth-averaged PIV was quantified with a validation experiment. • Characteristics of two-dimensional film flow were classified following the four different flow patterns. - Abstract: In an accident condition of a nuclear reactor, multidimensional two-phase flows may occur in the reactor vessel downcomer and reactor core. Therefore, those have been regarded as important issues for an advanced thermal-hydraulic safety analysis. In particular, the multi-dimensional two-phase flow in the upper downcomer during the reflood phase of large break loss of coolant accident appears with an interaction between a downward liquid and a transverse gas flow, which determines the bypass flow rate of the emergency core coolant and subsequently, the reflood coolant flow rate. At present, some thermal-hydraulic analysis codes incorporate multidimensional modules for the nuclear reactor safety analysis. However, their prediction capability for the two-phase cross flow in the upper downcomer has not been validated sufficiently against experimental data based on local measurements. For this reason, an experimental study was carried out for the two-phase cross flow to clarify the hydraulic phenomenon and provide local measurement data for the validation of the computational tools. The experiment was performed in a 1/10 scale unfolded downcomer of Advanced Power Reactor 1400 (APR1400). Pitot tubes, a depth-averaged PIV method and ultrasonic thickness gauge were applied for local measurement of the air velocity, the liquid film velocity and the liquid film thickness, respectively. The uncertainty of the depth-averaged PIV method for the averaged

  14. Experimental study on two-dimensional film flow with local measurement methods

    International Nuclear Information System (INIS)

    Yang, Jin-Hwa; Cho, Hyoung-Kyu; Kim, Seok; Euh, Dong-Jin; Park, Goon-Cherl

    2015-01-01

    Highlights: • An experimental study on the two-dimensional film flow with lateral air injection was performed. • The ultrasonic thickness gauge was used to measure the local liquid film thickness. • The depth-averaged PIV (Particle Image Velocimetry) method was applied to measure the local liquid film velocity. • The uncertainty of the depth-averaged PIV was quantified with a validation experiment. • Characteristics of two-dimensional film flow were classified following the four different flow patterns. - Abstract: In an accident condition of a nuclear reactor, multidimensional two-phase flows may occur in the reactor vessel downcomer and reactor core. Therefore, those have been regarded as important issues for an advanced thermal-hydraulic safety analysis. In particular, the multi-dimensional two-phase flow in the upper downcomer during the reflood phase of large break loss of coolant accident appears with an interaction between a downward liquid and a transverse gas flow, which determines the bypass flow rate of the emergency core coolant and subsequently, the reflood coolant flow rate. At present, some thermal-hydraulic analysis codes incorporate multidimensional modules for the nuclear reactor safety analysis. However, their prediction capability for the two-phase cross flow in the upper downcomer has not been validated sufficiently against experimental data based on local measurements. For this reason, an experimental study was carried out for the two-phase cross flow to clarify the hydraulic phenomenon and provide local measurement data for the validation of the computational tools. The experiment was performed in a 1/10 scale unfolded downcomer of Advanced Power Reactor 1400 (APR1400). Pitot tubes, a depth-averaged PIV method and ultrasonic thickness gauge were applied for local measurement of the air velocity, the liquid film velocity and the liquid film thickness, respectively. The uncertainty of the depth-averaged PIV method for the averaged

  15. Methods for the solution of the two-dimensional radiation-transfer equation

    International Nuclear Information System (INIS)

    Weaver, R.; Mihalas, D.; Olson, G.

    1982-01-01

    We use the variable Eddington factor (VEF) approximation to solve the time-dependent two-dimensional radiation transfer equation. The transfer equation and its moments are derived for an inertial frame of reference in cylindrical geometry. Using the VEF tensor to close the moment equations, we manipulate them into a combined moment equation that results in an energy equation, which is automatically flux limited. There are two separable facets in this method of solution. First, given the variable Eddington tensor, we discuss the efficient solution of the combined moment matrix equation. The second facet of the problem is the calculation of the variable Eddington tensor. Several options for this calculation, as well as physical limitations on the use of locally-calculated Eddington factors, are discussed

  16. New method of three-dimensional reconstruction from two-dimensional MR data sets

    International Nuclear Information System (INIS)

    Wrazidlo, W.; Schneider, S.; Brambs, H.J.; Richter, G.M.; Kauffmann, G.W.; Geiger, B.; Fischer, C.

    1989-01-01

    In medical diagnosis and therapy, cross-sectional images are obtained by means of US, CT, or MR imaging. The authors propose a new solution to the problem of constructing a shape over a set of cross-sectional contours from two-dimensional (2D) MR data sets. The authors' method reduces the problem of constructing a shape over the cross sections to one of constructing a sequence of partial shapes, each of them connecting two cross sections lying on adjacent planes. The solution makes use of the Delaunay triangulation, which is isomorphic in that specific situation. The authors compute this Delaunay triangulation. Shape reconstruction is then achieved section by pruning Delaunay triangulations

  17. A solution of two-dimensional magnetohydrodynamic flow using the finite volume method

    Directory of Open Access Journals (Sweden)

    Naceur Sonia

    2014-01-01

    Full Text Available This paper presents the two dimensional numerical modeling of the coupling electromagnetic-hydrodynamic phenomena in a conduction MHD pump using the Finite volume Method. Magnetohydrodynamic problems are, thus, interdisciplinary and coupled, since the effect of the velocity field appears in the magnetic transport equations, and the interaction between the electric current and the magnetic field appears in the momentum transport equations. The resolution of the Maxwell's and Navier Stokes equations is obtained by introducing the magnetic vector potential A, the vorticity z and the stream function y. The flux density, the electromagnetic force, and the velocity are graphically presented. Also, the simulation results agree with those obtained by Ansys Workbench Fluent software.

  18. An axial calculation method for accurate two-dimensional PWR core simulation

    International Nuclear Information System (INIS)

    Grimm, P.

    1985-02-01

    An axial calculation method, which improves the agreement of the multiplication factors determined by two- and three-dimensional PWR neutronic calculations, is presented. The axial buckling is determined at each time point so as to reproduce the increase of the leakage due to the flattening of the axial power distribution and the effect of the axial variation of the group constants of the fuel on the reactivity is taken into account. The results of a test example show that the differences of k-eff and cycle length between two- and three-dimensional calculations, which are unsatisfactorily large if a constant buckling is used, become negligible if the results of the axial calculation are used in the two-dimensional core simulation. (Auth.)

  19. Two numerical methods for the solution of two-dimensional eddy current problems

    International Nuclear Information System (INIS)

    Biddlecombe, C.S.

    1978-07-01

    A general method for the solution of eddy current problems in two dimensions - one component of current density and two of magnetic field, is reported. After examining analytical methods two numerical methods are presented. Both solve the two dimensional, low frequency limit of Maxwell's equations for transient eddy currents in conducting material, which may be permeable, in the presence of other non-conducting permeable material. Both solutions are expressed in terms of the magnetic vector potential. The first is an integral equation method, using zero order elements in the discretisation of the unknown source regions. The other is a differential equation method, using a first order finite element mesh, and the Galerkin weighted residual procedure. The resulting equations are solved as initial-value problems. Results from programs based on each method are presented showing the power and limitations of the methods and the range of problems solvable. The methods are compared and recommendations are made for choosing between them. Suggestions are made for improving both methods, involving boundary integral techniques. (author)

  20. Two-dimensional NMR spectroscopy: correlated, homonuclear-correlated, and nuclear Overhauser spectroscopy. January 1975-December 1988 (Citations from the INSPEC: Information Services for the Physics and Engineering Communities data base). Report for January 1975-December 1988

    International Nuclear Information System (INIS)

    1988-12-01

    This bibliography contains citations concerning the enhanced analytical techniques of two-dimensional nuclear magnetic resonance (2-D NMR). Applications to specific molecules, biomolecules, and compounds as well as comparisons of three 2-D NMR techniques: correlated spectroscopy (COSY), nuclear Overhauser (NOSEY), and homonuclear-correlated spectroscopy (HOMCOR). (Contains 190 citations fully indexed and including a title list.)

  1. Characterization of pH titration shifts for all the nonlabile proton resonances in a protein by two-dimensional NMR: The case of mouse epidermal growth factor

    International Nuclear Information System (INIS)

    Kohda, Daisuke; Sawada, Toshie; Inagaki, Fuyuhiko

    1991-01-01

    The pH titration shifts for all the nonlabile proton resonances in a 53-residue protein (mouse epidermal growth factor) were measured in the p 2 H range 1.5-9 with two-dimensional (2D) 1 H NMR. The 2D NMR pH titration experiment made it possible to determine the pK values for all the ionizable group which were titrated in the pH range 1.5-9 in the protein. The pK values of the nine ionizable groups (α-amino group, four Asp, two Glu, one His, and α-carboxyl group) were found to be near their normal values. The 2D titration experiment also provided a detailed description of the pH-dependent behavior of the proton chemical shifts and enabled us to characterize the pH-dependent changes of protein conformation. Analysis of the pH-dependent shifts of ca. 200 proton resonances offered evidence of conformational changes in slightly basic pH solution: The deprotonation of the N-terminal α-amino group induced a widespread conformational change over the β-sheet structure in the protein, while the effects of deprotonation of the His22 imidazole group were relatively localized. The authors found that the 2D NMR pH titration experiment is a powerful tool for investigating the structural and dynamic properties of proteins

  2. A meshless local radial basis function method for two-dimensional incompressible Navier-Stokes equations

    KAUST Repository

    Wang, Zhiheng

    2014-12-10

    A meshless local radial basis function method is developed for two-dimensional incompressible Navier-Stokes equations. The distributed nodes used to store the variables are obtained by the philosophy of an unstructured mesh, which results in two main advantages of the method. One is that the unstructured nodes generation in the computational domain is quite simple, without much concern about the mesh quality; the other is that the localization of the obtained collocations for the discretization of equations is performed conveniently with the supporting nodes. The algebraic system is solved by a semi-implicit pseudo-time method, in which the convective and source terms are explicitly marched by the Runge-Kutta method, and the diffusive terms are implicitly solved. The proposed method is validated by several benchmark problems, including natural convection in a square cavity, the lid-driven cavity flow, and the natural convection in a square cavity containing a circular cylinder, and very good agreement with the existing results are obtained.

  3. A Galleria Boundary Element Method for two-dimensional nonlinear magnetostatics

    Science.gov (United States)

    Brovont, Aaron D.

    The Boundary Element Method (BEM) is a numerical technique for solving partial differential equations that is used broadly among the engineering disciplines. The main advantage of this method is that one needs only to mesh the boundary of a solution domain. A key drawback is the myriad of integrals that must be evaluated to populate the full system matrix. To this day these integrals have been evaluated using numerical quadrature. In this research, a Galerkin formulation of the BEM is derived and implemented to solve two-dimensional magnetostatic problems with a focus on accurate, rapid computation. To this end, exact, closed-form solutions have been derived for all the integrals comprising the system matrix as well as those required to compute fields in post-processing; the need for numerical integration has been eliminated. It is shown that calculation of the system matrix elements using analytical solutions is 15-20 times faster than with numerical integration of similar accuracy. Furthermore, through the example analysis of a c-core inductor, it is demonstrated that the present BEM formulation is a competitive alternative to the Finite Element Method (FEM) for linear magnetostatic analysis. Finally, the BEM formulation is extended to analyze nonlinear magnetostatic problems via the Dual Reciprocity Method (DRBEM). It is shown that a coarse, meshless analysis using the DRBEM is able to achieve RMS error of 3-6% compared to a commercial FEM package in lightly saturated conditions.

  4. Two dimensional PMMA nanofluidic device fabricated by hot embossing and oxygen plasma assisted thermal bonding methods

    Science.gov (United States)

    Yin, Zhifu; Sun, Lei; Zou, Helin; Cheng, E.

    2015-05-01

    A method for obtaining a low-cost and high-replication precision two-dimensional (2D) nanofluidic device with a polymethyl methacrylate (PMMA) sheet is proposed. To improve the replication precision of the 2D PMMA nanochannels during the hot embossing process, the deformation of the PMMA sheet was analyzed by a numerical simulation method. The constants of the generalized Maxwell model used in the numerical simulation were calculated by experimental compressive creep curves based on previously established fitting formula. With optimized process parameters, 176 nm-wide and 180 nm-deep nanochannels were successfully replicated into the PMMA sheet with a replication precision of 98.2%. To thermal bond the 2D PMMA nanochannels with high bonding strength and low dimensional loss, the parameters of the oxygen plasma treatment and thermal bonding process were optimized. In order to measure the dimensional loss of 2D nanochannels after thermal bonding, a dimension loss evaluating method based on the nanoindentation experiments was proposed. According to the dimension loss evaluating method, the total dimensional loss of 2D nanochannels was 6 nm and 21 nm in width and depth, respectively. The tensile bonding strength of the 2D PMMA nanofluidic device was 0.57 MPa. The fluorescence images demonstrate that there was no blocking or leakage over the entire microchannels and nanochannels.

  5. Two-dimensional semi-analytic nodal method for multigroup pin power reconstruction

    International Nuclear Information System (INIS)

    Seung Gyou, Baek; Han Gyu, Joo; Un Chul, Lee

    2007-01-01

    A pin power reconstruction method applicable to multigroup problems involving square fuel assemblies is presented. The method is based on a two-dimensional semi-analytic nodal solution which consists of eight exponential terms and 13 polynomial terms. The 13 polynomial terms represent the particular solution obtained under the condition of a 2-dimensional 13 term source expansion. In order to achieve better approximation of the source distribution, the least square fitting method is employed. The 8 exponential terms represent a part of the analytically obtained homogeneous solution and the 8 coefficients are determined by imposing constraints on the 4 surface average currents and 4 corner point fluxes. The surface average currents determined from a transverse-integrated nodal solution are used directly whereas the corner point fluxes are determined during the course of the reconstruction by employing an iterative scheme that would realize the corner point balance condition. The outgoing current based corner point flux determination scheme is newly introduced. The accuracy of the proposed method is demonstrated with the L336C5 benchmark problem. (authors)

  6. Numerical simulation of two-dimensional flows over a circular cylinder using the immersed boundary method

    International Nuclear Information System (INIS)

    Lima E Silva, A.L.F.; Silveira-Neto, A.; Damasceno, J.J.R.

    2003-01-01

    In this work, a virtual boundary method is applied to the numerical simulation of a uniform flow over a cylinder. The force source term, added to the two-dimensional Navier-Stokes equations, guarantees the imposition of the no-slip boundary condition over the body-fluid interface. These equations are discretized, using the finite differences method. The immersed boundary is represented with a finite number of Lagrangian points, distributed over the solid-fluid interface. A Cartesian grid is used to solve the fluid flow equations. The key idea is to propose a method to calculate the interfacial force without ad hoc constants that should usually be adjusted for the type of flow and the type of the numerical method, when this kind of model is used. In the present work, this force is calculated using the Navier-Stokes equations applied to the Lagrangian points and then distributed over the Eulerian grid. The main advantage of this approach is that it enables calculation of this force field, even if the interface is moving or deforming. It is unnecessary to locate the Eulerian grid points near this immersed boundary. The lift and drag coefficients and the Strouhal number, calculated for an immersed cylinder, are compared with previous experimental and numerical results, for different Reynolds numbers

  7. Solution of two-dimensional equations of neutron transport in 4P0-approximation of spherical harmonics method

    International Nuclear Information System (INIS)

    Polivanskij, V.P.

    1989-01-01

    The method to solve two-dimensional equations of neutron transport using 4P 0 -approximation is presented. Previously such approach was efficiently used for the solution of one-dimensional problems. New an attempt is made to apply the approach to solution of two-dimensional problems. Algorithm of the solution is given, as well as results of test neutron-physical calculations. A considerable as compared with diffusion approximation is shown. 11 refs

  8. Boundary element methods applied to two-dimensional neutron diffusion problems

    International Nuclear Information System (INIS)

    Itagaki, Masafumi

    1985-01-01

    The Boundary element method (BEM) has been applied to two-dimensional neutron diffusion problems. The boundary integral equation and its discretized form have been derived. Some numerical techniques have been developed, which can be applied to critical and fixed-source problems including multi-region ones. Two types of test programs have been developed according to whether the 'zero-determinant search' or the 'source iteration' technique is adopted for criticality search. Both programs require only the fluxes and currents on boundaries as the unknown variables. The former allows a reduction in computing time and memory in comparison with the finite element method (FEM). The latter is not always efficient in terms of computing time due to the domain integral related to the inhomogeneous source term; however, this domain integral can be replaced by the equivalent boundary integral for a region with a non-multiplying medium or with a uniform source, resulting in a significant reduction in computing time. The BEM, as well as the FEM, is well suited for solving irregular geometrical problems for which the finite difference method (FDM) is unsuited. The BEM also solves problems with infinite domains, which cannot be solved by the ordinary FEM and FDM. Some simple test calculations are made to compare the BEM with the FEM and FDM, and discussions are made concerning the relative merits of the BEM and problems requiring future solution. (author)

  9. Streamline integration as a method for two-dimensional elliptic grid generation

    Energy Technology Data Exchange (ETDEWEB)

    Wiesenberger, M., E-mail: Matthias.Wiesenberger@uibk.ac.at [Institute for Ion Physics and Applied Physics, Universität Innsbruck, A-6020 Innsbruck (Austria); Held, M. [Institute for Ion Physics and Applied Physics, Universität Innsbruck, A-6020 Innsbruck (Austria); Einkemmer, L. [Numerical Analysis group, Universität Innsbruck, A-6020 Innsbruck (Austria)

    2017-07-01

    We propose a new numerical algorithm to construct a structured numerical elliptic grid of a doubly connected domain. Our method is applicable to domains with boundaries defined by two contour lines of a two-dimensional function. Furthermore, we can adapt any analytically given boundary aligned structured grid, which specifically includes polar and Cartesian grids. The resulting coordinate lines are orthogonal to the boundary. Grid points as well as the elements of the Jacobian matrix can be computed efficiently and up to machine precision. In the simplest case we construct conformal grids, yet with the help of weight functions and monitor metrics we can control the distribution of cells across the domain. Our algorithm is parallelizable and easy to implement with elementary numerical methods. We assess the quality of grids by considering both the distribution of cell sizes and the accuracy of the solution to elliptic problems. Among the tested grids these key properties are best fulfilled by the grid constructed with the monitor metric approach. - Graphical abstract: - Highlights: • Construct structured, elliptic numerical grids with elementary numerical methods. • Align coordinate lines with or make them orthogonal to the domain boundary. • Compute grid points and metric elements up to machine precision. • Control cell distribution by adaption functions or monitor metrics.

  10. Two-dimensional fluid-hammer analysis by the method of nearcharacteristics

    International Nuclear Information System (INIS)

    Shin, Y.W.; Kot, C.A.

    1975-05-01

    A numerical technique based on the method of nearcharacteristics is considered for solving propagation of fluid-hammer waves in a two-dimensional geometry. The solution is constructed by relating flow conditions by compatibility equations along lines called nearcharacteristics. Three choices are considered in the numerical scheme that are accurate within an error of the order of magnitude of the time step. Since the nearcharacteristics lie in the coordinate planes, the technique provides an efficient method requiring only simple interpolations in the initial plane. On the other hand, the nearcharacteristics fall outside the characteristics cone. Thus the solution procedure directly refers to conditions outside the true domain of dependence. The effect of this is studied through numerical calculation of a simple example problem and comparison with results obtained by a bicharacteristic method. Comparison is also made with existing analytical solutions and experiments. Furthermore, the three solution schemes considered are examined for numerical stability by the vonNeumann test. Two of the schemes were found to be unstable; the third yielded a stability criterion equivalent to that of the bicharacteristic formulation. The stability-analysis results were confirmed by numerical experimentation. (auth)

  11. Stabilized Discretization in Spline Element Method for Solution of Two-Dimensional Navier-Stokes Problems

    Directory of Open Access Journals (Sweden)

    Neng Wan

    2014-01-01

    Full Text Available In terms of the poor geometric adaptability of spline element method, a geometric precision spline method, which uses the rational Bezier patches to indicate the solution domain, is proposed for two-dimensional viscous uncompressed Navier-Stokes equation. Besides fewer pending unknowns, higher accuracy, and computation efficiency, it possesses such advantages as accurate representation of isogeometric analysis for object boundary and the unity of geometry and analysis modeling. Meanwhile, the selection of B-spline basis functions and the grid definition is studied and a stable discretization format satisfying inf-sup conditions is proposed. The degree of spline functions approaching the velocity field is one order higher than that approaching pressure field, and these functions are defined on one-time refined grid. The Dirichlet boundary conditions are imposed through the Nitsche variational principle in weak form due to the lack of interpolation properties of the B-splines functions. Finally, the validity of the proposed method is verified with some examples.

  12. A parallel algorithm for the two-dimensional time fractional diffusion equation with implicit difference method.

    Science.gov (United States)

    Gong, Chunye; Bao, Weimin; Tang, Guojian; Jiang, Yuewen; Liu, Jie

    2014-01-01

    It is very time consuming to solve fractional differential equations. The computational complexity of two-dimensional fractional differential equation (2D-TFDE) with iterative implicit finite difference method is O(M(x)M(y)N(2)). In this paper, we present a parallel algorithm for 2D-TFDE and give an in-depth discussion about this algorithm. A task distribution model and data layout with virtual boundary are designed for this parallel algorithm. The experimental results show that the parallel algorithm compares well with the exact solution. The parallel algorithm on single Intel Xeon X5540 CPU runs 3.16-4.17 times faster than the serial algorithm on single CPU core. The parallel efficiency of 81 processes is up to 88.24% compared with 9 processes on a distributed memory cluster system. We do think that the parallel computing technology will become a very basic method for the computational intensive fractional applications in the near future.

  13. Combining Capability Assessment and Value Engineering: a New Two-dimensional Method for Software Process Improvement

    Directory of Open Access Journals (Sweden)

    Pasi Ojala

    2008-02-01

    Full Text Available During the last decades software process improvement (SPI has been recognized as a usable possibility to increase the quality of software development. Implemented SPI investments have often indicated increased process capabilities as well. Recently more attention has been focused on the costs of SPI as well as on the cost-effectiveness and productivity of software development, although the roots of economic-driven software engineering originate from the very early days of software engineering research. This research combines Value Engineering and capability assessment into usable new method in order to better respond to the challenges that cost-effectiveness and productivity has brought to software companies. This is done in part by defining the concepts of value, worth and cost and in part by defining the Value Engineering process and different enhancements it has seen to offer to software assessment. The practical industrial cases show that proposed two-dimensional method works in practise and is useful to assessed companies.

  14. Two-dimensional transient thermal analysis of a fuel rod by finite volume method

    Energy Technology Data Exchange (ETDEWEB)

    Costa, Rhayanne Yalle Negreiros; Silva, Mário Augusto Bezerra da; Lira, Carlos Alberto de Oliveira, E-mail: ryncosta@gmail.com, E-mail: mabs500@gmail.com, E-mail: cabol@ufpe.br [Universidade Federal de Pernambuco (UFPE), Recife, PE (Brazil). Departamento de Energia Nuclear

    2017-07-01

    One of the greatest concerns when studying a nuclear reactor is the warranty of safe temperature limits all over the system at all time. The preservation of core structure along with the constraint of radioactive material into a controlled system are the main focus during the operation of a reactor. The purpose of this paper is to present the temperature distribution for a nominal channel of the AP1000 reactor developed by Westinghouse Co. during steady-state and transient operations. In the analysis, the system was subjected to normal operation conditions and then to blockages of the coolant flow. The time necessary to achieve a new safe stationary stage (when it was possible) was presented. The methodology applied in this analysis was based on a two-dimensional survey accomplished by the application of Finite Volume Method (FVM). A steady solution is obtained and compared with an analytical analysis that disregard axial heat transport to determine its relevance. The results show the importance of axial heat transport consideration in this type of study. A transient analysis shows the behavior of the system when submitted to coolant blockage at channel's entrance. Three blockages were simulated (10%, 20% and 30%) and the results show that, for a nominal channel, the system can still be considerate safe (there's no bubble formation until that point). (author)

  15. Bandgap optimization of two-dimensional photonic crystals using semidefinite programming and subspace methods

    International Nuclear Information System (INIS)

    Men, H.; Nguyen, N.C.; Freund, R.M.; Parrilo, P.A.; Peraire, J.

    2010-01-01

    In this paper, we consider the optimal design of photonic crystal structures for two-dimensional square lattices. The mathematical formulation of the bandgap optimization problem leads to an infinite-dimensional Hermitian eigenvalue optimization problem parametrized by the dielectric material and the wave vector. To make the problem tractable, the original eigenvalue problem is discretized using the finite element method into a series of finite-dimensional eigenvalue problems for multiple values of the wave vector parameter. The resulting optimization problem is large-scale and non-convex, with low regularity and non-differentiable objective. By restricting to appropriate eigenspaces, we reduce the large-scale non-convex optimization problem via reparametrization to a sequence of small-scale convex semidefinite programs (SDPs) for which modern SDP solvers can be efficiently applied. Numerical results are presented for both transverse magnetic (TM) and transverse electric (TE) polarizations at several frequency bands. The optimized structures exhibit patterns which go far beyond typical physical intuition on periodic media design.

  16. Two-dimensional NMR studies of squash family inhibitors. Sequence-specific proton assignments and secondary structure of reactive-site hydrolyzed Cucurbita maxima trypsin inhibitor III

    Energy Technology Data Exchange (ETDEWEB)

    Krisnamoorthi, R.; Yuxi Gong; Chanlan Sun Lin (Kansas State Univ., Manhattan (United States)); VanderVelde, D. (Univ. of Kansas, Lawrence (United States))

    1992-01-28

    The solution structure of reactive-site hydrolyzed Cucurbita maxima trypsin inhibitor III (CMTI-III*) was investigated by two-dimensional proton nuclear magnetic resonance (2D NMR) spectroscopy. CMTI-III*, prepared by reacting CMTI-III with trypsin which cleaved the Arg5-Ile6 peptide bond, had the two fragments held together by a disulfide linkage. Sequence-specific {sup 1}H NMR resonance assignments were made for all the 29 amino acid residues of the protein. The secondary structure of CMTI-III*, as deduced from NOESY cross peaks and identification of slowly exchanging hydrogens, contains two turns, a 3{sub 10}-helix, and a triple-stranded {beta}-sheet. Sequential proton assignments were also made for the virgin inhibitor, CMTI-III, at pH 4.71, 30C. Comparison of backbone hydrogen chemical shifts of CMTI-III and CMTI-III* revealed significant changes for residues located far away from the reactive-site region as well as for those located near it, indicating tertiary structural changes that are transmitted through most of the 29 residues of the inhibitor protein. These chemical shift changes were relatively small compared to changes that occurred upon hydrolysis of the reactive-site peptide bond between Arg 5 and Ile6 in CMTI-III.

  17. Structural consequences of the natural substitution, E9K, on reactive-site-hydrolyzed squash (Cucurbita maxima) trypsin inhibitor (CMTI), as studied by two-dimensional NMR.

    Science.gov (United States)

    Krishnamoorthi, R; Lin, C L; VanderVelde, D

    1992-06-02

    Sequence-specific hydrogen-1 NMR assignments were made to all of the 29 amino acid residues of reactive-site-hydrolyzed Cucurbita maxima trypsin inhibitor I (CMTI-I*) by the application of two-dimensional NMR (2D NMR) techniques, and its secondary structural elements (two tight turns, a 3(10)-helix, and a triple-stranded beta-sheet) were identified on the basis of short-range NOESY cross peaks and deuterium-exchange kinetics. These secondary structural elements are present in the intact inhibitor [Holak, T. A., Gondol, D., Otlewski, J., & Wilusz, T. (1989) J. Mol. Biol. 210, 635-648] and are unaffected by the hydrolysis of the reactive-site peptide bond between Arg5 and Ile6, in accordance with the earlier conclusion reached for CMTI-III* [Krishnamoorthi, R., Gong, Y.-X., Lin, C. S., & VanderVelde, D. (1992) Biochemistry 31, 898-904]. Chemical shifts of backbone hydrogen atoms, peptide NH's, and C alpha H's, of CMTI-I* were compared with those of the intact inhibitor, CMTI-I, and of the reactive-site-hydrolyzed, natural, E9K variant, CMTI-III*. Cleavage of the Arg5-Ile6 peptide bond resulted in changes of chemical shifts of most of the backbone atoms of CMTI-I, in agreement with the earlier results obtained for CMTI-III. Comparison of chemical shifts of backbone hydrogen atoms of CMTI-I* and CMTI-III* revealed no changes, except for residues Glu9 and His25. However, the intact forms of the same two proteins, CMTI-I and CMTI-III, showed small but significant perturbations of chemical shifts of residues that made up the secondary structural elements of the inhibitors.(ABSTRACT TRUNCATED AT 250 WORDS)

  18. Solving the two-dimensional stationary transport equation with the aid of the nodal method

    International Nuclear Information System (INIS)

    Mesina, M.

    1976-07-01

    In this document the two-dimensional stationary transport equation for the geometry of a fuel assembly or for a system of square boxes has been formulated as an algebraic eigenvalue problem, and the solution was achieved with the computer code NODE 2 which was developed for this purpose. (orig.) [de

  19. A two-dimensional embedded-boundary method for convection problems with moving boundaries

    NARCIS (Netherlands)

    Y.J. Hassen (Yunus); B. Koren (Barry)

    2010-01-01

    htmlabstractIn this work, a two-dimensional embedded-boundary algorithm for convection problems is presented. A moving body of arbitrary boundary shape is immersed in a Cartesian finite-volume grid, which is fixed in space. The boundary surface is reconstructed in such a way that only certain fluxes

  20. Method of composing two-dimensional scanned spectra observed by the New Vacuum Solar Telescope

    Science.gov (United States)

    Cai, Yun-Fang; Xu, Zhi; Chen, Yu-Chao; Xu, Jun; Li, Zheng-Gang; Fu, Yu; Ji, Kai-Fan

    2018-04-01

    In this paper we illustrate the technique used by the New Vacuum Solar Telescope (NVST) to increase the spatial resolution of two-dimensional (2D) solar spectroscopy observations involving two dimensions of space and one of wavelength. Without an image stabilizer at the NVST, large scale wobble motion is present during the spatial scanning, whose instantaneous amplitude can reach 1.3″ due to the Earth’s atmosphere and the precision of the telescope guiding system, and seriously decreases the spatial resolution of 2D spatial maps composed with scanned spectra. We make the following effort to resolve this problem: the imaging system (e.g., the TiO-band) is used to record and detect the displacement vectors of solar image motion during the raster scan, in both the slit and scanning directions. The spectral data (e.g., the Hα line) which are originally obtained in time sequence are corrected and re-arranged in space according to those displacement vectors. Raster scans are carried out in several active regions with different seeing conditions (two rasters are illustrated in this paper). Given a certain spatial sampling and temporal resolution, the spatial resolution of the composed 2D map could be close to that of the slit-jaw image. The resulting quality after correction is quantitatively evaluated with two methods. A physical quantity, such as the line-of-sight velocities in multiple layers of the solar atmosphere, is also inferred from the re-arranged spectrum, demonstrating the advantage of this technique.

  1. Sequence-specific 1H NMR assignments and secondary structure of the Arc repressor of bacteriophage P22, as determined by two-dimensional 1H NMR spectroscopy

    International Nuclear Information System (INIS)

    Breg, J.N.; Boelens, R.; George, A.V.E.; Kaptein, R.

    1989-01-01

    The Arc repressor of bacteriophage P22 is a DNA binding protein that does not belong to any of the known classes of such proteins. The authors have undertaken a 1 H NMR study of the protein with the aim of elucidating its three-dimensional structure in solution and its mode of binding of operator DNA. Here the authors present the 1 H nuclear magnetic resonance (NMR) assignments of all backbone protons an most of the side-chain protons of Arc repressor. Elements of secondary structure have been identified on the basis of networks of characteristics sequential and medium-range nuclear Overhauser enhancements (NOEs). Two α-helical regions have been found in the peptide regions 16-29 and 35-45. The ends of the helices could not yet be firmly established and could extend to residue 31 for the first helix and to residue 49 for the second. Immediately before the first helix, between residues 8 and 14, a region is present with β-sheet characteristics dominated by a close proximity of the α-protons of residues 9 and 13. Because of the dimeric nature of the protein there are still two possible ways in which the NOEs in the β-sheet region can be interpreted. While the data presently do not allow an unambiguous choice between these two possibilities, some evidence is discussed that favors the latter (β-sheet between monomers). Since the N-terminal region of Arc is responsible for the sequence-specific recognition of its operator, the findings suggest the existence of a DNA binding motif in which a β-sheet region is present

  2. The analysis of carbohydrates in milk powder by a new "heart-cutting" two-dimensional liquid chromatography method.

    Science.gov (United States)

    Ma, Jing; Hou, Xiaofang; Zhang, Bing; Wang, Yunan; He, Langchong

    2014-03-01

    In this study, a new"heart-cutting" two-dimensional liquid chromatography method for the simultaneous determination of carbohydrate contents in milk powder was presented. In this two dimensional liquid chromatography system, a Venusil XBP-C4 analysis column was used in the first dimension ((1)D) as a pre-separation column, a ZORBAX carbohydrates analysis column was used in the second dimension ((2)D) as a final-analysis column. The whole process was completed in less than 35min without a particular sample preparation procedure. The capability of the new two dimensional HPLC method was demonstrated in the determination of carbohydrates in various brands of milk powder samples. A conventional one dimensional chromatography method was also proposed. The two proposed methods were both validated in terms of linearity, limits of detection, accuracy and precision. The comparison between the results obtained with the two methods showed that the new and completely automated two dimensional liquid chromatography method is more suitable for milk powder sample because of its online cleanup effect involved. Crown Copyright © 2013. Published by Elsevier B.V. All rights reserved.

  3. Two-dimensional NMR studies of squash family inhibitors. Sequence-specific proton assignments and secondary structure of reactive-site hydrolyzed Cucurbita maxima trypsin inhibitor III.

    Science.gov (United States)

    Krishnamoorthi, R; Gong, Y X; Lin, C L; VanderVelde, D

    1992-01-28

    The solution structure of reactive-site hydrolyzed Cucurbita maxima trypsin inhibitor III (CMTI-III*) was investigated by two-dimensional proton nuclear magnetic resonance (2D NMR) spectroscopy. CMTI-III*, prepared by reacting CMTI-III with trypsin which cleaved the Arg5-Ile6 peptide bond, had the two fragments held together by a disulfide linkage. Sequence-specific 1H NMR resonance assignments were made for all the 29 amino acid residues of the protein. The secondary structure of CMTI-III*, as deduced from NOESY cross peaks and identification of slowly exchanging hydrogens, contains two turns (residues 8-12 and 24-27), a 3(10)-helix (residues 13-16), and a triple-stranded beta-sheet (residues 8-10, 29-27, and 21-25). This secondary structure is similar to that of CMTI-I [Holak, T. A., Gondol, D., Otlewski, J., & Wilusz, T. (1989) J. Mol. Biol. 210, 635-648], which has a Glu instead of a Lys at position 9. Sequential proton assignments were also made for the virgin inhibitor, CMTI-III, at pH 4.71, 30 degrees C. Comparison of backbone hydrogen chemical shifts of CMTI-III and CMTI-III* revealed significant changes for residues located far away from the reactive-site region as well as for those located near it, indicating tertiary structural changes that are transmitted through most of the 29 residues of the inhibitor protein. Many of these residues are functionally important in that they make contact with atoms of the enzyme in the trypsin-inhibitor complex, as revealed by X-ray crystallography [Bode, W., Greyling, H. J., Huber, R., Otlewski, J., & Wilusz, T. (1989) FEBS Lett. 242, 285-292].(ABSTRACT TRUNCATED AT 250 WORDS)

  4. Two-dimensional 1H and 31P NMR spectra and restrained molecular dynamics structure of an extrahelical adenosine tridecamer oligodeoxyribonucleotide duplex

    International Nuclear Information System (INIS)

    Nikonowicz, E.; Roongta, V.; Jones, C.R.; Gorenstein, D.G.

    1989-01-01

    Assignment of the 1H and 31P NMR spectra of an extrahelical adenosine tridecamer oligodeoxyribonucleotide duplex, d(CGCAGAATTCGCG)2, has been made by two-dimensional 1H-1H and heteronuclear 31P-1H correlated spectroscopy. The downfield 31P resonance previously noted by Patel et al. (1982) has been assigned by both 17O labeling of the phosphate as well as a pure absorption phase constant-time heteronuclear 31P-1H correlated spectrum and has been associated with the phosphate on the 3' side of the extrahelical adenosine. JH3'-P coupling constants for each of the phosphates of the tridecamer were obtained from the 1H-31P J-resolved selective proton-flip 2D spectrum. By use of a modified Karplus relationship the C4-C3'-O3-P torsional angles (epsilon) were obtained. There exists a good linear correlation between 31P chemical shifts and the epsilon torsional angle. The 31P chemical shifts and epsilon torsional angles follow the general observation that the more internal the phosphate is located within the oligonucleotide sequence, the more upfield the 31P resonance occurs. Because the extrahelical adenosine significantly distorts the deoxyribose phosphate backbone conformation even several bases distant from the extrahelical adenosine, 31P chemical shifts show complex site- and sequence-specific variations. Modeling and NOESY distance-restrained energy minimization and restrained molecular dynamics suggest that the extrahelical adenosine stacks into the duplex. However, a minor conformation is also observed in the 1H NMR, which could be associated with a structure in which the extrahelical adenosine loops out into solution

  5. A Fibonacci collocation method for solving a class of Fredholm–Volterra integral equations in two-dimensional spaces

    Directory of Open Access Journals (Sweden)

    Farshid Mirzaee

    2014-06-01

    Full Text Available In this paper, we present a numerical method for solving two-dimensional Fredholm–Volterra integral equations (F-VIE. The method reduces the solution of these integral equations to the solution of a linear system of algebraic equations. The existence and uniqueness of the solution and error analysis of proposed method are discussed. The method is computationally very simple and attractive. Finally, numerical examples illustrate the efficiency and accuracy of the method.

  6. Dosage Effects of Salt and pH Stresses on Saccharomyces cerevisiae as Monitored via Metabolites by Using Two Dimensional NMR Spectroscopy

    International Nuclear Information System (INIS)

    Chae, Young Kee; Kim, Seol Hyun; Ellinger, James E.; Markley, John L.

    2013-01-01

    Saccharomyces cerevisiae, which is a common species of yeast, is by far the most extensively studied model of a eukaryote because although it is one of the simplest eukaryotes, its basic cellular processes resemble those of higher organisms. In addition, yeast is a commercially valuable organism for ethanol production. Since the yeast data can be extrapolated to the important aspects of higher organisms, many researchers have studied yeast metabolism under various conditions. In this report, we analyzed and compared metabolites of Saccharomyces cerevisiae under salt and pH stresses of various strengths by using two-dimensional NMR spectroscopy. A total of 31 metabolites were identified for most of the samples. The levels of many identified metabolites showed gradual or drastic increases or decreases depending on the severity of the stresses involved. The statistical analysis produced a holistic outline: pH stresses were clustered together, but salt stresses were spread out depending on the severity. This work could provide a link between the metabolite profiles and mRNA or protein profiles under representative and well studied stress conditions

  7. Functional Groups Determine Biochar Properties (pH and EC as Studied by Two-Dimensional (13C NMR Correlation Spectroscopy.

    Directory of Open Access Journals (Sweden)

    Xiaoming Li

    Full Text Available While the properties of biochar are closely related to its functional groups, it is unclear under what conditions biochar develops its properties. In this study, two-dimensional (2D (13C nuclear magnetic resonance (NMR correlation spectroscopy was for the first time applied to investigate the development of functional groups and establish their relationship with biochar properties. The results showed that the agricultural biomass carbonized to biochars was a dehydroxylation/dehydrogenation and aromatization process, mainly involving the cleavage of O-alkylated carbons and anomeric O-C-O carbons in addition to the production of fused-ring aromatic structures and aromatic C-O groups. With increasing charring temperature, the mass cleavage of O-alkylated groups and anomeric O-C-O carbons occurred prior to the production of fused-ring aromatic structures. The regression analysis between functional groups and biochar properties (pH and electrical conductivity further demonstrated that the pH and electrical conductivity of rice straw derived biochars were mainly determined by fused-ring aromatic structures and anomeric O-C-O carbons, but the pH of rice bran derived biochars was determined by both fused-ring aromatic structures and aliphatic O-alkylated (HCOH carbons. In summary, this work suggests a novel tool for characterising the development of functional groups in biochars.

  8. Method for coupling two-dimensional to three-dimensional discrete ordinates calculations

    International Nuclear Information System (INIS)

    Thompson, J.L.; Emmett, M.B.; Rhoades, W.A.; Dodds, H.L. Jr.

    1985-01-01

    A three-dimensional (3-D) discrete ordinates transport code, TORT, has been developed at the Oak Ridge National Laboratory for radiation penetration studies. It is not feasible to solve some 3-D penetration problems with TORT, such as a building located a large distance from a point source, because (a) the discretized 3-D problem is simply too big to fit on the computer or (b) the computing time (and corresponding cost) is prohibitive. Fortunately, such problems can be solved with a hybrid approach by coupling a two-dimensional (2-D) description of the point source, which is assumed to be azimuthally symmetric, to a 3-D description of the building, the region of interest. The purpose of this paper is to describe this hybrid methodology along with its implementation and evaluation in the DOTTOR (Discrete Ordinates to Three-dimensional Oak Ridge Transport) code

  9. Two-Dimensional Planar Lightwave Circuit Integrated Spatial Filter Array and Method of Use Thereof

    Science.gov (United States)

    Ai, Jun (Inventor); Dimov, Fedor (Inventor)

    2015-01-01

    A large coherent two-dimensional (2D) spatial filter array (SFA), 30 by 30 or larger, is produced by coupling a 2D planar lightwave circuit (PLC) array with a pair of lenslet arrays at the input and output side. The 2D PLC array is produced by stacking a plurality of chips, each chip with a plural number of straight PLC waveguides. A pupil array is coated onto the focal plane of the lenslet array. The PLC waveguides are produced by deposition of a plural number of silica layers on the silicon wafer, followed by photolithography and reactive ion etching (RIE) processes. A plural number of mode filters are included in the silica-on-silicon waveguide such that the PLC waveguide is transparent to the fundamental mode but higher order modes are attenuated by 40 dB or more.

  10. Method for generation of tunable far infrared radiation from two-dimensional plasmons

    Science.gov (United States)

    Katz, Joseph (Inventor)

    1989-01-01

    Tunable far infrared radiation is produced from two-dimensional plasmons in a heterostructure, which provides large inversion-layer electron densities at the heterointerface, without the need for a metallic grating to couple out the radiation. Instead, a light interference pattern is produced on the planar surface of the heterostructure using two coherent laser beams of a wavelength selected to be strongly absorbed by the heterostructure in order to penetrate through the inversion layer. The wavelength of the far infrared radiation coupled out can then be readily tuned by varying the angle between the coherent beams, or varying the wavelength of the two interfering coherent beams, thus varying the periodicity of the photoconductivity grating to vary the wavelength of the far infrared radiation being coupled out.

  11. Development of a global aerosol model using a two-dimensional sectional method: 1. Model design

    Science.gov (United States)

    Matsui, H.

    2017-08-01

    This study develops an aerosol module, the Aerosol Two-dimensional bin module for foRmation and Aging Simulation version 2 (ATRAS2), and implements the module into a global climate model, Community Atmosphere Model. The ATRAS2 module uses a two-dimensional (2-D) sectional representation with 12 size bins for particles from 1 nm to 10 μm in dry diameter and 8 black carbon (BC) mixing state bins. The module can explicitly calculate the enhancement of absorption and cloud condensation nuclei activity of BC-containing particles by aging processes. The ATRAS2 module is an extension of a 2-D sectional aerosol module ATRAS used in our previous studies within a framework of a regional three-dimensional model. Compared with ATRAS, the computational cost of the aerosol module is reduced by more than a factor of 10 by simplifying the treatment of aerosol processes and 2-D sectional representation, while maintaining good accuracy of aerosol parameters in the simulations. Aerosol processes are simplified for condensation of sulfate, ammonium, and nitrate, organic aerosol formation, coagulation, and new particle formation processes, and box model simulations show that these simplifications do not substantially change the predicted aerosol number and mass concentrations and their mixing states. The 2-D sectional representation is simplified (the number of advected species is reduced) primarily by the treatment of chemical compositions using two interactive bin representations. The simplifications do not change the accuracy of global aerosol simulations. In part 2, comparisons with measurements and the results focused on aerosol processes such as BC aging processes are shown.

  12. [Study on the method of two dimensional polycrylamide gel electrophoresis on rat condylar chondrocyte].

    Science.gov (United States)

    Wu, Tuo-jiang; Li, Huang; Ma, Qiao-lin; Wang, Wen-mei

    2010-08-01

    To investigate the protein profile by two dimensional polycrylamide gel electrophoresis on the rat condylar chondrocyte in vitro. The third-passage chondrocytes were harvested from the mandibular condyles of 2-day-old rats in this study. The protein profile of the rat mandibular condylar chondrocytes was examined by two dimensional polycrylamide gel electrophoresis (2-DE-PAGE). The 2-DE gel maps on different pH gradients were obtained. The result of modified coomassi blue-sliver staining and sliver staining was compared using Pdquest 7.1 image analysis software. The results showed that the good protein profile of the condylar chondrocytes was obtained by standard Bio-Rad manual. The protein was mainly in the field from pH4 to pH7. The 1203±86 protein points were examined on 2-DE gel map by modified coomassi blue-sliver staining, and 1769±97 protein points was examined by sliver staining. The silver staining map showed more distinctly but higher background than modified coomassi blue-sliver staining. The protein profile of the condylar chondrocytes enriches the proteomic database and gives evidence to further proteomic research. The 2-DE map obtained by modified coomassi blue-sliver staining is more suitable for MALDI-TOF mass identification. Supported by National Natural Science Foundation of China (Grant No. C30700963), China Postdoctoral Science Foundation(Grant No.20090461088), Jiangsu Provincial Postdoctoral Science Foundation (Grant No.0802003C) and Nanjing City's Science and Technology Foundation (Grant No.200905011).

  13. Analysis of the backbone dynamics of interleukin-1β using two-dimensional inverse detected heteronuclear 15N-1H NMR spectroscopy

    International Nuclear Information System (INIS)

    Clore, G.M.; Driscoll, P.C.; Wingfield, P.T.; Gronenborn, A.M.

    1990-01-01

    The backbone dynamics of uniformly 15 N-labeled interleukin-1β are investigated by using two-dimensional inverse detected heteronuclear 15 N- 1 H NMR spectroscopy. 15 N T 1 , T 2 , and NOE data at a spectrometer frequency of 600 MHz are obtained for 90% of the backbone amide groups. The data provide evidence for motions on three time scales. All the residues exhibit very fast motions on a time scale of approx-lt 20-50 ps that can be characterized by a single-order parameter with an average value of 0.82 ± 0.05. Thirty-two residues also display motions on a time scale of 0.5-4 ns, slightly less than the overall rotational correlation time of the protein (8.3 ns). While the simple formulation can account for the 15 N T 1 and T 2 data, it fails to account for the 15 N- 1 H NOE data and yields calculated values for the NOEs that are either too small or negative, whereas the observed NOEs are positive. Another 42 residues are characterized by some sort of motion on the 30-ns-10-ms time scale, which results in 15 N line broadening due to chemical exchange between different conformational substates with distinct 15 N chemical shifts. In general, the motions on both the 0.5-4-ns and 30-ns-10-ms time scales are localized in surface-accessible loops and turns connecting the β-strands, as well as at the beginning and end of strands. Finally, the kinetic and equilibrium properties of a slow conformational equilibrium between a major and a minor species, involving at least 19 residues and located on one contiguous face of the molecule, are characterized by using 1 H- 15 N correlation spectroscopy, 1 H- 15 N heteronuclear multiple quantum coherence-nuclear Overhauser enhancement spectroscopy, and 1 H- 1 H nuclear Overhauser enhancement spectroscopy

  14. Search for a nematic phase in the quasi-two-dimensional antiferromagnet CuCrO2 by NMR in an electric field

    Science.gov (United States)

    Sakhratov, Yu. A.; Kweon, J. J.; Choi, E. S.; Zhou, H. D.; Svistov, L. E.; Reyes, A. P.

    2018-03-01

    The magnetic phase diagram of CuCrO2 was studied with an alternative method of simultaneous Cu NMR and electric polarization techniques with the primary goal of demonstrating that, regardless of cooling history of the sample, the magnetic phase with specific helmet-shaped NMR spectra associated with interplanar disorder possesses electric polarization. Our result unequivocally confirms the assumption of Sakhratov et al. [Phys. Rev. B 94, 094410 (2016), 10.1103/PhysRevB.94.094410] that the high-field low-temperature phase is in fact a three-dimensional (3D) polar phase characterized by a 3D magnetic order with tensor order parameter. In comparison with the results obtained in pulsed fields, a modified phase diagram is introduced defining the upper boundary of the first-order transition from the 3D spiral to the 3D polar phase.

  15. Right ventricular volume determination by two-dimensional echocardiography and radiography in model hearts using a subtraction method

    International Nuclear Information System (INIS)

    Krebs, W.; Erbel, R.; Schweizer, P.; Richter, H.A.; Massberg, I.; Meyer, J.; Effert, S.; Henn, G.

    1982-01-01

    The irregularity and complexity of the right ventricle is the reason why no accurate method for right ventricular volume determination exists. A new method for right ventricular volume determination particularly for two-dimensional echocardiography was developed - it is called subtraction method - and was compared with the pyramid and Simpson's methods. The partial volume of the left ventricle and septum was subtracted from total volume of right and left ventricle including interventricular septum. Thus right ventricular volume resulted. Total and partial volume were computer-assisted calculated by use of biplane methods, preferably Simpson's rule. The method was proved with thinwall silicon-rubber model hearts of the left and right ventricle. Two orthogonal planes in the long-axis were filmed by radiography or scanned in a water bath by two-dimensional echocardiography equivalent to RAO and LAO-projections of cineangiocardiograms or to four- and two-chamber views of apical two-dimensional echocardiograms. For calculation of the major axes of the elliptical sections, summed up by Simpson's rule, they were derived from the LAO-projection and the four-chamber view, respectively, the minor axis approximated from the RAO-projection and the two-chamber view. For comparison of direct-measured volume and two-dimensional echocardiographically determined volume, regression equation was given by y = 1.01 x - 3.2, correlation-coefficient, r = 0.977, and standard error of estimate (SEE) +-10.5 ml. For radiography, regression equation was y = 0.909 x + 13.3, r = 0.983, SEE = +-8.0 ml. For pyramid method and Simpson's rule, higher standard errors and lower correlation coefficients were found. Between radiography and two-dimensional echocardiography a mean difference of 4.3 +- 13.2 ml, using subtraction method, and -10.2 +- 22.9 ml, using pyramid method, as well as -0.6 +- 18.5 ml, using Simpson's rule, were calculated for right ventricular volume measurements. (orig./APR) [de

  16. A fast semi-discrete Kansa method to solve the two-dimensional spatiotemporal fractional diffusion equation

    Science.gov (United States)

    Sun, HongGuang; Liu, Xiaoting; Zhang, Yong; Pang, Guofei; Garrard, Rhiannon

    2017-09-01

    Fractional-order diffusion equations (FDEs) extend classical diffusion equations by quantifying anomalous diffusion frequently observed in heterogeneous media. Real-world diffusion can be multi-dimensional, requiring efficient numerical solvers that can handle long-term memory embedded in mass transport. To address this challenge, a semi-discrete Kansa method is developed to approximate the two-dimensional spatiotemporal FDE, where the Kansa approach first discretizes the FDE, then the Gauss-Jacobi quadrature rule solves the corresponding matrix, and finally the Mittag-Leffler function provides an analytical solution for the resultant time-fractional ordinary differential equation. Numerical experiments are then conducted to check how the accuracy and convergence rate of the numerical solution are affected by the distribution mode and number of spatial discretization nodes. Applications further show that the numerical method can efficiently solve two-dimensional spatiotemporal FDE models with either a continuous or discrete mixing measure. Hence this study provides an efficient and fast computational method for modeling super-diffusive, sub-diffusive, and mixed diffusive processes in large, two-dimensional domains with irregular shapes.

  17. Study of the two-dimensional Hubbard model at half-filling through constructive methods

    International Nuclear Information System (INIS)

    Afchain, St.

    2005-02-01

    The Hubbard model is the simplest model to describe the behaviour of fermions on a network, it takes into account only fermion scattering and only interactions with other fermions located on the same site. Half-filling means that the total number of fermions is equal to half the number of sites. In the first chapter we show how we can pass trough successive approximations from a very general Hamiltonian to the Hubbard Hamiltonian. The second chapter is dedicated to the passage from the Hamiltonian formalism to the Grassmanian functional formalism. The main idea is to show that the correlation functions of the Hamiltonian approach can be described through fermionic functional integrals which implies the possibility of speaking of the model in terms of field theory. The chapter 3 deals with the main constructive techniques that allow the strict and consistent construction of models inside the frame of field theory. We show by proving the violation of a condition concerning self-energy, that the two-dimensional Hubbard model at half-filling has not the behaviour of a Fermi liquid in the Landau's interpretation. (A.C.)

  18. On a method of construction of exact solutions for equations of two-dimensional hydrodynamics of incompressible liquids

    International Nuclear Information System (INIS)

    Yurov, A.V.; Yurova, A.A.

    2006-01-01

    The simple algebraic method for construction of exact solutions of two-dimensional hydrodynamic equations of incompressible flow is proposed. This method can be applied both to nonviscous flow (Euler equations) and to viscous flow (Navier-Stokes equations). In the case of nonviscous flow, the problem is reduced to sequential solving of three linear partial differential equations. In the case of viscous flow, the Navier-Stokes equations are reduced to three linear partial differential equations and one differential equation of the first order [ru

  19. Surface harmonics method for two-dimensional time-dependent neutron transport problems of square-lattice nuclear reactors

    Energy Technology Data Exchange (ETDEWEB)

    Boyarinov, V. F.; Kondrushin, A. E.; Fomichenko, P. A. [National Research Centre Kurchatov Institute, Kurchatov Sq. 1, Moscow (Russian Federation)

    2013-07-01

    Time-dependent equations of the Surface Harmonics Method (SHM) have been derived from the time-dependent neutron transport equation with explicit representation of delayed neutrons for solving the two-dimensional time-dependent problems. These equations have been realized in the SUHAM-TD code. The TWIGL benchmark problem has been used for verification of the SUHAM-TD code. The results of the study showed that computational costs required to achieve necessary accuracy of the solution can be an order of magnitude less than with the use of the conventional finite difference method (FDM). (authors)

  20. Two-dimensional Haar wavelet Collocation Method for the solution of Stationary Neutron Transport Equation in a homogeneous isotropic medium

    International Nuclear Information System (INIS)

    Patra, A.; Saha Ray, S.

    2014-01-01

    Highlights: • A stationary transport equation has been solved using the technique of Haar wavelet Collocation Method. • This paper intends to provide the great utility of Haar wavelets to nuclear science problem. • In the present paper, two-dimensional Haar wavelets are applied. • The proposed method is mathematically very simple, easy and fast. - Abstract: This paper emphasizes on finding the solution for a stationary transport equation using the technique of Haar wavelet Collocation Method (HWCM). Haar wavelet Collocation Method is efficient and powerful in solving wide class of linear and nonlinear differential equations. Recently Haar wavelet transform has gained the reputation of being a very effective tool for many practical applications. This paper intends to provide the great utility of Haar wavelets to nuclear science problem. In the present paper, two-dimensional Haar wavelets are applied for solution of the stationary Neutron Transport Equation in homogeneous isotropic medium. The proposed method is mathematically very simple, easy and fast. To demonstrate about the efficiency of the method, one test problem is discussed. It can be observed from the computational simulation that the numerical approximate solution is much closer to the exact solution

  1. Numerical methods to solve the two-dimensional heat conduction equation

    International Nuclear Information System (INIS)

    Santos, R.S. dos.

    1981-09-01

    A class of numerical methods, called 'Hopscotch Algorithms', was used to solve the heat conduction equation in cylindrical geometry. Using a time dependent heat source, the temperature versus time behaviour of cylindric rod was analysed. Numerical simulation was used to study the stability and the convergence of each different method. Another test had the temperature specified on the outer surface as boundary condition. The various Hopscotch methods analysed exhibit differing degrees of accuracy, few of them being so accurate as the ADE method, but requiring more computational operations than the later, were observed. Finally, compared with the so called ODD-EVEN method, two other Hopscotch methods, are more time consuming. (Author) [pt

  2. A new method for information retrieval in two-dimensional grating-based X-ray phase contrast imaging

    International Nuclear Information System (INIS)

    Wang Zhi-Li; Gao Kun; Chen Jian; Ge Xin; Tian Yang-Chao; Wu Zi-Yu; Zhu Pei-Ping

    2012-01-01

    Grating-based X-ray phase contrast imaging has been demonstrated to be an extremely powerful phase-sensitive imaging technique. By using two-dimensional (2D) gratings, the observable contrast is extended to two refraction directions. Recently, we have developed a novel reverse-projection (RP) method, which is capable of retrieving the object information efficiently with one-dimensional (1D) grating-based phase contrast imaging. In this contribution, we present its extension to the 2D grating-based X-ray phase contrast imaging, named the two-dimensional reverse-projection (2D-RP) method, for information retrieval. The method takes into account the nonlinear contributions of two refraction directions and allows the retrieval of the absorption, the horizontal and the vertical refraction images. The obtained information can be used for the reconstruction of the three-dimensional phase gradient field, and for an improved phase map retrieval and reconstruction. Numerical experiments are carried out, and the results confirm the validity of the 2D-RP method

  3. Two-dimensional simulation of broad-band ferrite electromagnetic wave absorbers by using the FDTD method

    Energy Technology Data Exchange (ETDEWEB)

    Yoon, Hyun Jin; Kim, Dong Il [Korea Maritime University, Busan (Korea, Republic of)

    2004-10-15

    The purpose of this simulation study is to design and fabricate an electromagnetic (EM) wave absorber in order to develop a wide-band absorber. We have proposed and modeled a bird-eye-type and cutting-cone-type EM wave absorber by using the equivalent material constants method (EMCM), and we simulated them by using a finite-difference time-domain (FDTD) method. A two or a three-dimensional simulation would be desirable to analyze the EM wave absorber characteristics and to develop new structures. The two-dimensional FDTD simulation requires less computer resources than a three-dimensional simulation to consider the structural effects of the EM wave absorbers. The numerical simulation by using the FDTD method shows propagating EM waves in various types of periodic structure EM wave absorbers. Simultaneously, a Fourier analysis is used to characterize the input pulse and the reflected EM waves for ferrite absorbers with various structures. The results have a wide-band reflection-reducing characteristic. The validity of the proposed model was confirmed by comparing the two-dimensional simulation with the experimental results. The simulations were carried out in the frequency band from 30 MHz to 10 GHz.

  4. Two-dimensional simulation of broad-band ferrite electromagnetic wave absorbers by using the FDTD method

    International Nuclear Information System (INIS)

    Yoon, Hyun Jin; Kim, Dong Il

    2004-01-01

    The purpose of this simulation study is to design and fabricate an electromagnetic (EM) wave absorber in order to develop a wide-band absorber. We have proposed and modeled a bird-eye-type and cutting-cone-type EM wave absorber by using the equivalent material constants method (EMCM), and we simulated them by using a finite-difference time-domain (FDTD) method. A two or a three-dimensional simulation would be desirable to analyze the EM wave absorber characteristics and to develop new structures. The two-dimensional FDTD simulation requires less computer resources than a three-dimensional simulation to consider the structural effects of the EM wave absorbers. The numerical simulation by using the FDTD method shows propagating EM waves in various types of periodic structure EM wave absorbers. Simultaneously, a Fourier analysis is used to characterize the input pulse and the reflected EM waves for ferrite absorbers with various structures. The results have a wide-band reflection-reducing characteristic. The validity of the proposed model was confirmed by comparing the two-dimensional simulation with the experimental results. The simulations were carried out in the frequency band from 30 MHz to 10 GHz.

  5. Two-Dimensional Fourier Cosine Series Expansion Method for Pricing Financial Options

    NARCIS (Netherlands)

    Ruijter, M.J.; Oosterlee, C.W.

    2012-01-01

    The COS method for pricing European and Bermudan options with one underlying asset was developed in [F. Fang and C. W. Oosterlee, SIAM J. Sci. Comput., 31 (2008), pp. 826--848] and [F. Fang and C. W. Oosterlee, Numer. Math., 114 (2009), pp. 27--62]. In this paper, we extend the method to higher

  6. A comparative study of lattice Boltzmann and volume of fluid method for two dimensional multiphase flows

    Energy Technology Data Exchange (ETDEWEB)

    Ryu, Seung Yeob [Korea Atomic Energy Research Institute (KAERI), Daejeon (Korea, Republic of); Ko, Sung Ho [Dept. of Mechanical Design Engineering, Chungnam National University, Daejeon (Korea, Republic of)

    2012-08-15

    The volume of fluid (VOF) model of FLUENT and the lattice Boltzmann method (LBM) are used to simulate two-phase flows. Both methods are validated for static and dynamic bubble test cases and then compared to experimental results. The VOF method does not reduce the spurious currents of the static droplet test and does not satisfy the Laplace law for small droplets at the acceptable level, as compared with the LBM. For single bubble flows, simulations are executed for various Eotvos numbers, Morton numbers and Reynolds numbers, and the results of both methods agree well with the experiments in the case of low Eotvos numbers. For high Eotvos numbers, the VOF results deviated from the experiments. For multiple bubbles, the bubble flow characteristics are related by the wake of the leading bubble. The coaxial and oblique coalescence of the bubbles are simulated successfully and the subsequent results are presented. In conclusion, the LBM performs better than the VOF method.

  7. A two-dimensional discontinuous heterogeneous finite element method for neutron transport calculations

    International Nuclear Information System (INIS)

    Masiello, E.; Sanchez, R.

    2007-01-01

    A discontinuous heterogeneous finite element method is presented and discussed. The method is intended for realistic numerical pin-by-pin lattice calculations when an exact representation of the geometric shape of the pins is made without need for homogenization. The method keeps the advantages of conventional discrete ordinate methods, such as fast execution together with the possibility to deal with a large number of spatial meshes, while minimizing the need for geometric modeling. It also provides a complete factorization in space, angle, and energy for the discretized matrices and minimizes, thus, storage requirements. An angular multigrid acceleration technique has also been developed to speed up the rate of convergence of the inner iterations. A particular aspect of this acceleration is the introduction of boundary restriction and prolongation operators that minimize oscillatory behavior and enhance positivity. Numerical tests are presented that show the high precision of the method and the efficiency of the angular multigrid acceleration. (authors)

  8. Solution to Two-Dimensional Steady Inverse Heat Transfer Problems with Interior Heat Source Based on the Conjugate Gradient Method

    Directory of Open Access Journals (Sweden)

    Shoubin Wang

    2017-01-01

    Full Text Available The compound variable inverse problem which comprises boundary temperature distribution and surface convective heat conduction coefficient of two-dimensional steady heat transfer system with inner heat source is studied in this paper applying the conjugate gradient method. The introduction of complex variable to solve the gradient matrix of the objective function obtains more precise inversion results. This paper applies boundary element method to solve the temperature calculation of discrete points in forward problems. The factors of measuring error and the number of measuring points zero error which impact the measurement result are discussed and compared with L-MM method in inverse problems. Instance calculation and analysis prove that the method applied in this paper still has good effectiveness and accuracy even if measurement error exists and the boundary measurement points’ number is reduced. The comparison indicates that the influence of error on the inversion solution can be minimized effectively using this method.

  9. A meshless local radial basis function method for two-dimensional incompressible Navier-Stokes equations

    KAUST Repository

    Wang, Zhiheng; Huang, Zhu; Zhang, Wei; Xi, Guang

    2014-01-01

    main advantages of the method. One is that the unstructured nodes generation in the computational domain is quite simple, without much concern about the mesh quality; the other is that the localization of the obtained collocations for the discretization

  10. A wavelet ridge extraction method employing a novel cost function in two-dimensional wavelet transform profilometry

    Science.gov (United States)

    Wang, Jianhua; Yang, Yanxi

    2018-05-01

    We present a new wavelet ridge extraction method employing a novel cost function in two-dimensional wavelet transform profilometry (2-D WTP). First of all, the maximum value point is extracted from two-dimensional wavelet transform coefficient modulus, and the local extreme value points over 90% of maximum value are also obtained, they both constitute wavelet ridge candidates. Then, the gradient of rotate factor is introduced into the Abid's cost function, and the logarithmic Logistic model is used to adjust and improve the cost function weights so as to obtain more reasonable value estimation. At last, the dynamic programming method is used to accurately find the optimal wavelet ridge, and the wrapped phase can be obtained by extracting the phase at the ridge. Its advantage is that, the fringe pattern with low signal-to-noise ratio can be demodulated accurately, and its noise immunity will be better. Meanwhile, only one fringe pattern is needed to projected to measured object, so dynamic three-dimensional (3-D) measurement in harsh environment can be realized. Computer simulation and experimental results show that, for the fringe pattern with noise pollution, the 3-D surface recovery accuracy by the proposed algorithm is increased. In addition, the demodulation phase accuracy of Morlet, Fan and Cauchy mother wavelets are compared.

  11. A two-dimensional, finite-element methods for calculating TF coil response to out-of-plane Lorentz forces

    International Nuclear Information System (INIS)

    Witt, R.J.

    1989-01-01

    Toroidal field (TF) coils in fusion systems are routinely operated at very high magnetic fields. While obtaining the response of the coil to in-plane loads is relatively straightforward, the same is not true for the out-of-plane loads. Previous treatments of the out-of-plane problem have involved large, three-dimensional finite element idealizations. A new treatment of the out-of-plane problem is presented here; the model is two-dimensional in nature, and consumes far less CPU-time than three-dimensional methods. The approach assumes there exists a region of torsional deformation in the inboard leg and a bending region in the outboard leg. It also assumes the outboard part of the coil is attached to a torque frame/cylinder, which experiences primarily torsional deformation. Three-dimensional transition regions exist between the inboard and outboard legs and between the outboard leg and the torque frame. By considering several idealized problems of cylindrical shells subjected to moment distributions, it is shown that the size of these three-dimensional regions is quite small, and that the interaction between the torsional and bending regions can be treated in an equivalent two-dimensional fashion. Equivalent stiffnesses are derived to model penetration into and twist along the cylinders. These stiffnesses are then used in a special substructuring analysis to couple the three regions together. Results from the new method are compared to results from a 3D continuum model. (orig.)

  12. A two-dimensional finite element method for analysis of solid body contact problems in fuel rod mechanics

    International Nuclear Information System (INIS)

    Nissen, K.L.

    1988-06-01

    Two computer codes for the analysis of fuel rod behavior have been developed. Fuel rod mechanics is treated by a two-dimensional, axisymmetric finite element method. The program KONTAKT is used for detailed examinations on fuel rod sections, whereas the second program METHOD2D allows instationary calculations of whole fuel rods. The mechanical contact of fuel and cladding during heating of the fuel rod is very important for it's integrity. Both computer codes use a Newton-Raphson iteration for the solution of the nonlinear solid body contact problem. A constitutive equation is applied for the dependency of contact pressure on normal approach of the surfaces which are assumed to be rough. If friction is present on the contacting surfaces, Coulomb's friction law is used. Code validation is done by comparison with known analytical solutions for special problems. Results of the contact algorithm for an elastic ball pressing against a rigid surface are confronted with Hertzian theory. Influences of fuel-pellet geometry as well as influences of discretisation of displacements and stresses of a single fuel pellet are studied. Contact of fuel and cladding is calculated for a fuel rod section with two fuel pellets. The influence of friction forces between fuel and cladding on their axial expansion is demonstrated. By calculation of deformations and temperatures during an instationary fuel rod experiment of the CABRI-series the feasibility of two-dimensional finite element analysis of whole fuel rods is shown. (orig.) [de

  13. A method of paralleling computer calculation for two-dimensional kinetic plasma model

    International Nuclear Information System (INIS)

    Brazhnik, V.A.; Demchenko, V.V.; Dem'yanov, V.G.; D'yakov, V.E.; Ol'shanskij, V.V.; Panchenko, V.I.

    1987-01-01

    A method for parallel computer calculation and OSIRIS program complex realizing it and designed for numerical plasma simulation by the macroparticle method are described. The calculation can be carried out either with one or simultaneously with two computers BESM-6, that is provided by some package of interacting programs functioning in every computer. Program interaction in every computer is based on event techniques realized in OS DISPAK. Parallel computer calculation with two BESM-6 computers allows to accelerate the computation 1.5 times

  14. General method and exact solutions to a generalized variable-coefficient two-dimensional KdV equation

    International Nuclear Information System (INIS)

    Chen, Yong; Shanghai Jiao-Tong Univ., Shangai; Chinese Academy of sciences, Beijing

    2005-01-01

    A general method to uniformly construct exact solutions in terms of special function of nonlinear partial differential equations is presented by means of a more general ansatz and symbolic computation. Making use of the general method, we can successfully obtain the solutions found by the method proposed by Fan (J. Phys. A., 36 (2003) 7009) and find other new and more general solutions, which include polynomial solutions, exponential solutions, rational solutions, triangular periodic wave solution, soliton solutions, soliton-like solutions and Jacobi, Weierstrass doubly periodic wave solutions. A general variable-coefficient two-dimensional KdV equation is chosen to illustrate the method. As a result, some new exact soliton-like solutions are obtained. planets. The numerical results are given in tables. The results are discussed in the conclusion

  15. A method for geometric modelling of magnetic anomalies: Two dimensional bodies

    Digital Repository Service at National Institute of Oceanography (India)

    Rao, T.C.S.

    squares estimation of nonlinear parameters. Jour. Soc. Indust. Appl. Math. 11.431411. McGrath, P. R., and Hood, J. P. 1910 : The dipping dyke case : A computer crove matching method of magnetic interpretation. Geophysics 35, 831 848. Nabighian. M. N. 1912...

  16. A boundary integral method for two-dimensional (non)-Newtonian drops in slow viscous flow

    NARCIS (Netherlands)

    Toose, E.M.; Geurts, B.J.; Kuerten, J.G.M.

    1995-01-01

    A boundary integral method for the simulation of the time-dependent deformation of Newtonian or non-Newtonian drops suspended in a Newtonian fluid is developed. The boundary integral formulation for Stokes flow is used and the non-Newtonian stress is treated as a source term which yields an extra

  17. Two-dimensional chemically tunable patterns with cellular structures fabricated via thermal pressing method

    International Nuclear Information System (INIS)

    Wang Bo; Zhao Qinghe; Liu Lili; Gao Changyou; Han Kun; Zhang Junhu; Xiang Zheng; Yang Bai

    2006-01-01

    A novel and versatile soft lithography method, i.e. thermal pressing method has been established to create colloid arrays by using multilevel inks. Patterned poly(dimethylsiloxane) stamp containing silicone dioxide microparticles was pressed into a polycaprolactone (PCL) film at the temperature around the T m of PCL. Subsequent removal of the colloids left cavity arrays. By initially incorporating chitosan, albumin or CdTe quantum dots into the silicone dioxide microparticles, removal of the ordered SiO 2 microspheres would then release these substances which were stably embedded into the PCL matrices or suspended in the interiors of the cellular structures. By coating the SiO 2 microspheres with multilayers previously, thin covers on the cellular structures could be obtained after removal of the templates

  18. Application of two-dimensional binary fingerprinting methods for the design of selective Tankyrase I inhibitors.

    Science.gov (United States)

    Muddukrishna, B S; Pai, Vasudev; Lobo, Richard; Pai, Aravinda

    2017-11-22

    In the present study, five important binary fingerprinting techniques were used to model novel flavones for the selective inhibition of Tankyrase I. From the fingerprints used: the fingerprint atom pairs resulted in a statistically significant 2D QSAR model using a kernel-based partial least square regression method. This model indicates that the presence of electron-donating groups positively contributes to activity, whereas the presence of electron withdrawing groups negatively contributes to activity. This model could be used to develop more potent as well as selective analogues for the inhibition of Tankyrase I. Schematic representation of 2D QSAR work flow.

  19. A new semi-invasive method for two dimensional pO2 measurements of cortical structures.

    Science.gov (United States)

    Warnat, Jan; Liebsch, Gregor; Stoerr, Eva-Maria; Brawanski, Alexander; Woertgen, Chris

    2008-01-01

    Measuring brain oxygenation in patients with TBI or SAH is of major interest. We present a new semi-invasive method for two dimensional measurements of cortical pO2. For this feasibility study, a porphyrin containing sensor foil was placed directly on the cortex of intubated and variably ventilated Wistar rats. The sensor was excited with a light pulse and pictures of the foil's pO2 dependant emissions were captured with a CCD camera. After online data processing, two-dimensional maps of cortex oxygenation were displayed and analyzed using ROIs (here: arteriole, vein, parenchyma) with a display rate of 7 Hz. The size of one single measurement pixel was 0.03 x 0.03 mm2. The mean pO2 over cortex arterioles was 20.3 +/- 0.69, over veins 17.1 +/- 0.5 and over parenchyma 9.1 +/- 0.6 (mmHg +/- SD). The arterial pO2 showed a good correlation to the pO2 in the ROIs (r = 0.46-0.72, p pO2 values in the ROIs of the cortex. This prototype is capable of obtaining cortical pO2 maps with excellent temporal and spatial resolution and provides simultaneous imaging of the cortex structures.

  20. Solution of the two-dimensional space-time reactor kinetics equation by a locally one-dimensional method

    International Nuclear Information System (INIS)

    Chen, G.S.; Christenson, J.M.

    1985-01-01

    In this paper, the authors present some initial results from an investigation of the application of a locally one-dimensional (LOD) finite difference method to the solution of the two-dimensional, two-group reactor kinetics equations. Although the LOD method is relatively well known, it apparently has not been previously applied to the space-time kinetics equations. In this investigation, the LOD results were benchmarked against similar computational results (using the same computing environment, the same programming structure, and the same sample problems) obtained by the TWIGL program. For all of the problems considered, the LOD method provided accurate results in one-half to one-eight of the time required by the TWIGL program

  1. Method And Apparatus For Two Dimensional Surface Property Analysis Based On Boundary Measurement

    Science.gov (United States)

    Richardson, John G.

    2005-11-15

    An apparatus and method for determining properties of a conductive film is disclosed. A plurality of probe locations selected around a periphery of the conductive film define a plurality of measurement lines between each probe location and all other probe locations. Electrical resistance may be measured along each of the measurement lines. A lumped parameter model may be developed based on the measured values of electrical resistance. The lumped parameter model may be used to estimate resistivity at one or more selected locations encompassed by the plurality of probe locations. The resistivity may be extrapolated to other physical properties if the conductive film includes a correlation between resistivity and the other physical properties. A profile of the conductive film may be developed by determining resistivity at a plurality of locations. The conductive film may be applied to a structure such that resistivity may be estimated and profiled for the structure's surface.

  2. Two-dimensional direct numerical simulation of bubble cloud cavitation by front-tracking method

    International Nuclear Information System (INIS)

    Peng, G; Shimizu, S; Tryggvason, G

    2015-01-01

    Unsteady bubble cloud cavitation phenomenon caused by negative pressure pulse has been treated numerically by applying a front tracking method. The behaviour of bubble cloud expanding and contracting is evaluated by tracking the motion of all bubble interfaces. Numerical investigation demonstrates that: (1) In the collapsing of bubble cloud micro liquid jets toward the inner bubbles are formed while the outer layer bubbles contract extremely, and then a high impact pressure is released when the inner central bubble contacts to its minimum. (2) The oscillation of bubble cloud depends upon the void fraction greatly. In the case of high void fraction, the frequency of cloud oscillation is lower than that of individual bubble and the decay of the oscillation becomes much slowly also

  3. Study on the gain media with four energy level model using two dimensional FDTD method

    Energy Technology Data Exchange (ETDEWEB)

    Wu, Bo; Sun, Bingbing; Xue, Hui; Xiao, Feng [Key Laboratory of Intelligent Computing and Signal Processing, Anhui University, Hefei 230039 (China); Huang, Zhixiang, E-mail: zxhuang@ahu.edu.cn [Key Laboratory of Intelligent Computing and Signal Processing, Anhui University, Hefei 230039 (China); Wu, Xianliang, E-mail: xlwu@ahu.edu.cn [Key Laboratory of Intelligent Computing and Signal Processing, Anhui University, Hefei 230039 (China); Department of Physics and Electronic Engineering, Hefei Normal University, Hefei 230061 (China)

    2013-08-15

    A four energy level model is applied to the gain media, which shows possible application to the complex metamaterials system due to its amplification effect. The coupled equations named polarization equation, rate equations of electronic population and Maxwell's equations are used to describe the coupling between the atoms and electromagnetic wave. Population inversion and lasing threshold are investigated using numerical simulations based on a novel finite-difference time-domain (FDTD) treatment of the optical field. The validations of the method are also tested. The numerical results show the good agreement with the classic lasing theory. Our numerical model can be used as an efficient design tool for investigating novel physical phenomena for new laser devices.

  4. Two-dimensional 1H and 31P NMR spectra and restrained molecular dynamics structure of an oligodeoxyribonucleotide duplex refined via a hybrid relaxation matrix procedure

    International Nuclear Information System (INIS)

    Powers, R.; Jones, C.R.; Gorenstein, D.G.

    1990-01-01

    Assignment of the 1H and 31P resonances of a decamer DNA duplex, d(CGCTTAAGCG)2 was determined by two-dimensional COSY, NOESY and 1H-31P Pure Absorption phase Constant time (PAC) heteronuclear correlation spectroscopy. The solution structure of the decamer was calculated by an iterative hybrid relaxation matrix method combined with NOESY-distance restrained molecular dynamics. The distances from the 2D NOESY spectra were calculated from the relaxation rate matrix which were evaluated from a hybrid NOESY volume matrix comprising elements from the experiment and those calculated from an initial structure. The hybrid matrix-derived distances were then used in a restrained molecular dynamics procedure to obtain a new structure that better approximates the NOESY spectra. The resulting partially refined structure was then used to calculate an improved theoretical NOESY volume matrix which is once again merged with the experimental matrix until refinement is complete. JH3'-P coupling constants for each of the phosphates of the decamer were obtained from 1H-31P J-resolved selective proton flip 2D spectra. By using a modified Karplus relationship the C4'-C3'-O3'-P torsional angles were obtained. Comparison of the 31P chemical shifts and JH3'-P coupling constants of this sequence has allowed a greater insight into the various factors responsible for 31P chemical shift variations in oligonucleotides. It also provides an important probe of the sequence-dependent structural variation of the deoxyribose phosphate backbone of DNA in solution. These correlations are consistent with the hypothesis that changes in local helical structure perturb the deoxyribose phosphate backbone. The variation of the 31P chemical shift, and the degree of this variation from one base step to the next is proposed as a potential probe of local helical conformation within the DNA double helix

  5. Note on the Physical Basis of the Kutta Condition in Unsteady Two-Dimensional Panel Methods

    Directory of Open Access Journals (Sweden)

    M. La Mantia

    2015-01-01

    Full Text Available Force generation in avian and aquatic species is of considerable interest for possible engineering applications. The aim of this work is to highlight the theoretical and physical foundations of a new formulation of the unsteady Kutta condition, which postulates a finite pressure difference at the trailing edge of the foil. The condition, necessary to obtain a unique solution and derived from the unsteady Bernoulli equation, implies that the energy supplied for the wing motion generates trailing-edge vortices and their overall effect, which depends on the motion initial parameters, is a jet of fluid that propels the wing. The postulated pressure difference (the value of which should be experimentally obtained models the trailing-edge velocity difference that generates the thrust-producing jet. Although the average thrust values computed by the proposed method are comparable to those calculated by assuming null pressure difference at the trailing edge, the latter (commonly used approach is less physically meaningful than the present one, as there is a singularity at the foil trailing edge. Additionally, in biological applications, that is, for autonomous flapping, the differences ought to be more significant, as the corresponding energy requirements should be substantially altered, compared to the studied oscillatory motions.

  6. A sparsity-regularized Born iterative method for reconstruction of two-dimensional piecewise continuous inhomogeneous domains

    KAUST Repository

    Sandhu, Ali Imran; Desmal, Abdulla; Bagci, Hakan

    2016-01-01

    A sparsity-regularized Born iterative method (BIM) is proposed for efficiently reconstructing two-dimensional piecewise-continuous inhomogeneous dielectric profiles. Such profiles are typically not spatially sparse, which reduces the efficiency of the sparsity-promoting regularization. To overcome this problem, scattered fields are represented in terms of the spatial derivative of the dielectric profile and reconstruction is carried out over samples of the dielectric profile's derivative. Then, like the conventional BIM, the nonlinear problem is iteratively converted into a sequence of linear problems (in derivative samples) and sparsity constraint is enforced on each linear problem using the thresholded Landweber iterations. Numerical results, which demonstrate the efficiency and accuracy of the proposed method in reconstructing piecewise-continuous dielectric profiles, are presented.

  7. A sparsity-regularized Born iterative method for reconstruction of two-dimensional piecewise continuous inhomogeneous domains

    KAUST Repository

    Sandhu, Ali Imran

    2016-04-10

    A sparsity-regularized Born iterative method (BIM) is proposed for efficiently reconstructing two-dimensional piecewise-continuous inhomogeneous dielectric profiles. Such profiles are typically not spatially sparse, which reduces the efficiency of the sparsity-promoting regularization. To overcome this problem, scattered fields are represented in terms of the spatial derivative of the dielectric profile and reconstruction is carried out over samples of the dielectric profile\\'s derivative. Then, like the conventional BIM, the nonlinear problem is iteratively converted into a sequence of linear problems (in derivative samples) and sparsity constraint is enforced on each linear problem using the thresholded Landweber iterations. Numerical results, which demonstrate the efficiency and accuracy of the proposed method in reconstructing piecewise-continuous dielectric profiles, are presented.

  8. Classical solutions of two dimensional Stokes problems on non smooth domains. 2: Collocation method for the Radon equation

    International Nuclear Information System (INIS)

    Lubuma, M.S.

    1991-05-01

    The non uniquely solvable Radon boundary integral equation for the two-dimensional Stokes-Dirichlet problem on a non smooth domain is transformed into a well posed one by a suitable compact perturbation of the velocity double layer potential operator. The solution to the modified equation is decomposed into a regular part and a finite linear combination of intrinsic singular functions whose coefficients are computed from explicit formulae. Using these formulae, the classical collocation method, defined by continuous piecewise linear vector-valued basis functions, which converges slowly because of the lack of regularity of the solution, is improved into a collocation dual singular function method with optimal rates of convergence for the solution and for the coefficients of singularities. (author). 34 refs

  9. 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

  10. Performance improvement of two-dimensional EUV spectroscopy based on high frame rate CCD and signal normalization method

    International Nuclear Information System (INIS)

    Zhang, H.M.; Morita, S.; Ohishi, T.; Goto, M.; Huang, X.L.

    2014-01-01

    In the Large Helical Device (LHD), the performance of two-dimensional (2-D) extreme ultraviolet (EUV) spectroscopy with wavelength range of 30-650A has been improved by installing a high frame rate CCD and applying a signal intensity normalization method. With upgraded 2-D space-resolved EUV spectrometer, measurement of 2-D impurity emission profiles with high horizontal resolution is possible in high-density NBI discharges. The variation in intensities of EUV emission among a few discharges is significantly reduced by normalizing the signal to the spectral intensity from EUV_—Long spectrometer which works as an impurity monitor with high-time resolution. As a result, high resolution 2-D intensity distribution has been obtained from CIV (384.176A), CV(2x40.27A), CVI(2x33.73A) and HeII(303.78A). (author)

  11. MOCUM: A two-dimensional method of characteristics code based on constructive solid geometry and unstructured meshing for general geometries

    International Nuclear Information System (INIS)

    Yang Xue; Satvat, Nader

    2012-01-01

    Highlight: ► A two-dimensional numerical code based on the method of characteristics is developed. ► The complex arbitrary geometries are represented by constructive solid geometry and decomposed by unstructured meshing. ► Excellent agreement between Monte Carlo and the developed code is observed. ► High efficiency is achieved by parallel computing. - Abstract: A transport theory code MOCUM based on the method of characteristics as the flux solver with an advanced general geometry processor has been developed for two-dimensional rectangular and hexagonal lattice and full core neutronics modeling. In the code, the core structure is represented by the constructive solid geometry that uses regularized Boolean operations to build complex geometries from simple polygons. Arbitrary-precision arithmetic is also used in the process of building geometry objects to eliminate the round-off error from the commonly used double precision numbers. Then, the constructed core frame will be decomposed and refined into a Conforming Delaunay Triangulation to ensure the quality of the meshes. The code is fully parallelized using OpenMP and is verified and validated by various benchmarks representing rectangular, hexagonal, plate type and CANDU reactor geometries. Compared with Monte Carlo and deterministic reference solution, MOCUM results are highly accurate. The mentioned characteristics of the MOCUM make it a perfect tool for high fidelity full core calculation for current and GenIV reactor core designs. The detailed representation of reactor physics parameters can enhance the safety margins with acceptable confidence levels, which lead to more economically optimized designs.

  12. Monitoring the functionalization of single-walled carbon nanotubes with chitosan and folic acid by two-dimensional diffusion-ordered nmr spectroscopy

    DEFF Research Database (Denmark)

    Castillo, John J.; Torres, Mary H.; Molina, Daniel R.

    2012-01-01

    A conjugate between single-walled carbon nanotubes, chitosan and folic acid has been prepared. It was characterized by diffusion ordered two-dimensional hydrogen-1 nuclear magnetic resonance and hydrogen-1 nuclear magnetic resonance spectroscopy which revealed the presence of a conjugate that was......A conjugate between single-walled carbon nanotubes, chitosan and folic acid has been prepared. It was characterized by diffusion ordered two-dimensional hydrogen-1 nuclear magnetic resonance and hydrogen-1 nuclear magnetic resonance spectroscopy which revealed the presence of a conjugate...... that was generated by the linkage between the carboxyl moiety of the folic acid and the amino group of the chitosan, which in turn was non-covalently bound to the single-walled carbon nanotubes. The obtained diffusion coefficient values demonstrated that free folic acid diffused more rapidly than the folic acid...... conjugated to single-walled carbon nanotubes-chitosan. The values of the proton signal of hydrogen-1 nuclear magnetic resonance spectroscopy and two-dimensional hydrogen-1 nuclear magnetic resonance spectroscopy further confirmed that the folic acid was conjugated to the chitosan, wrapping the single...

  13. Two-dimensional NMR data of a water-soluble β-(1→3, 1→6-glucan from Aureobasidium pullulans and schizophyllan from Schizophyllum commune

    Directory of Open Access Journals (Sweden)

    Hiroyuki Kono

    2017-12-01

    Full Text Available This article contains two-dimensional (2D NMR experimental data, obtained by the Bruker BioSpin 500 MHz NMR spectrometer (Germany which can used for the determination of primary structures of schizophyllan from Schizophyllum commune (SPG and a water-soluble β-(1→3, 1→6-glucan from Aureobasidium pullulans. Data include analyzed the 2D NMR spectra of these β-glucans, which are related to the subject of an article in Carbohydrate Polymers, entitled “NMR spectroscopic structural characterization of a water-soluble β-(1→3, 1→6-glucan from A. pullulans” (Kono et al., 2017 [1]. Data can help to assign the 1H and 13C chemical shifts of the structurally complex polysaccharides. Keywords: NMR, β-(1→3, 1→6-glucan, Aureobasidium pullulans, Schizophyllan, Spectral data

  14. At-wavelength metrology using the moiré fringe analysis method based on a two dimensional grating interferometer

    International Nuclear Information System (INIS)

    Wang, Hongchang; Berujon, Sebastien; Pape, Ian; Rutishauser, Simon; David, Christian; Sawhney, Kawal

    2013-01-01

    A two-dimensional (2D) grating interferometer was used to perform at-wavelength metrology. A Fast Fourier Transform (FFT) of the interferograms recovers the differential X-ray beam phase in two orthogonal directions simultaneously. As an example, the X-ray wavefronts downstream from a Fresnel Zone plate were measured using the moiré fringe analysis method, which requires only a single image. The rotating shearing interferometer technique for moiré fringe analysis was extended from one dimension to two dimensions to carry out absolute wavefront metrology. In addition, the 2D moiré fringes were extrapolated using Gerchberg's method to reduce the boundary artifacts. The advantages and limitations of the phase-stepping method and the moiré fringe analysis method are also discussed. -- Highlights: ► A rapid and sensitive strip test for CPPU (forchlorfenuron) detection is reported. ► Carbon nanoparticles were used for antibody labelling. ► A common flatbed scanner was employed to the quantitate strip spots. ► The new method was successfully applied to the analysis of the field samples

  15. A meshless method for solving two-dimensional variable-order time fractional advection-diffusion equation

    Science.gov (United States)

    Tayebi, A.; Shekari, Y.; Heydari, M. H.

    2017-07-01

    Several physical phenomena such as transformation of pollutants, energy, particles and many others can be described by the well-known convection-diffusion equation which is a combination of the diffusion and advection equations. In this paper, this equation is generalized with the concept of variable-order fractional derivatives. The generalized equation is called variable-order time fractional advection-diffusion equation (V-OTFA-DE). An accurate and robust meshless method based on the moving least squares (MLS) approximation and the finite difference scheme is proposed for its numerical solution on two-dimensional (2-D) arbitrary domains. In the time domain, the finite difference technique with a θ-weighted scheme and in the space domain, the MLS approximation are employed to obtain appropriate semi-discrete solutions. Since the newly developed method is a meshless approach, it does not require any background mesh structure to obtain semi-discrete solutions of the problem under consideration, and the numerical solutions are constructed entirely based on a set of scattered nodes. The proposed method is validated in solving three different examples including two benchmark problems and an applied problem of pollutant distribution in the atmosphere. In all such cases, the obtained results show that the proposed method is very accurate and robust. Moreover, a remarkable property so-called positive scheme for the proposed method is observed in solving concentration transport phenomena.

  16. Numerical treatment for solving two-dimensional space-fractional advection-dispersion equation using meshless method

    Science.gov (United States)

    Cheng, Rongjun; Sun, Fengxin; Wei, Qi; Wang, Jufeng

    2018-02-01

    Space-fractional advection-dispersion equation (SFADE) can describe particle transport in a variety of fields more accurately than the classical models of integer-order derivative. Because of nonlocal property of integro-differential operator of space-fractional derivative, it is very challenging to deal with fractional model, and few have been reported in the literature. In this paper, a numerical analysis of the two-dimensional SFADE is carried out by the element-free Galerkin (EFG) method. The trial functions for the SFADE are constructed by the moving least-square (MLS) approximation. By the Galerkin weak form, the energy functional is formulated. Employing the energy functional minimization procedure, the final algebraic equations system is obtained. The Riemann-Liouville operator is discretized by the Grünwald formula. With center difference method, EFG method and Grünwald formula, the fully discrete approximation schemes for SFADE are established. Comparing with exact results and available results by other well-known methods, the computed approximate solutions are presented in the format of tables and graphs. The presented results demonstrate the validity, efficiency and accuracy of the proposed techniques. Furthermore, the error is computed and the proposed method has reasonable convergence rates in spatial and temporal discretizations.

  17. Monte Carlo estimates of interfacial tension in the two-dimensional Ising model from non-equilibrium methods

    International Nuclear Information System (INIS)

    Híjar, Humberto; Sutmann, Godehard

    2008-01-01

    Non-equilibrium methods for estimating free energy differences are used in order to calculate the interfacial tension between domains with opposite magnetizations in two-dimensional Ising lattices. Non-equilibrium processes are driven by changing the boundary conditions for two opposite sides of the lattice from periodic to antiperiodic and vice versa. This mechanism, which promotes the appearance and disappearance of the interface, is studied by means of Monte Carlo simulations performed at different rates and using different algorithms, thus allowing for testing the applicability of non-equilibrium methods for processes driven far from or close to equilibrium. Interfaces in lattices with different widths and heights are studied and the interface tension as a function of these quantities is obtained. It is found that the estimates of the interfacial tension from non-equilibrium procedures are in good agreement with previous reports as well as with exact results. The efficiency of the different procedures used is analyzed and the dynamics of the interface under these perturbations is briefly discussed. A method for determining the efficiency of non-equilibrium methods as regards thermodynamic perturbation is also presented. It is found that for all cases studied, the Crooks non-equilibrium method for estimating free energy differences is the most efficient one

  18. The covariance of the differences between experimental and theoretical chemical shifts as an aid for assigning two-dimensional heteronuclear correlation solid-state NMR spectra

    Czech Academy of Sciences Publication Activity Database

    Czernek, Jiří; Brus, Jiří

    2014-01-01

    Roč. 608, 21 July (2014), s. 334-339 ISSN 0009-2614 R&D Projects: GA ČR(CZ) GA14-03636S Institutional support: RVO:61389013 Keywords : NMR * DFT * covariance Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 1.897, year: 2014

  19. A two-dimensionally coincident second difference cosmic ray spike removal method for the fully automated processing of Raman spectra.

    Science.gov (United States)

    Schulze, H Georg; Turner, Robin F B

    2014-01-01

    Charge-coupled device detectors are vulnerable to cosmic rays that can contaminate Raman spectra with positive going spikes. Because spikes can adversely affect spectral processing and data analyses, they must be removed. Although both hardware-based and software-based spike removal methods exist, they typically require parameter and threshold specification dependent on well-considered user input. Here, we present a fully automated spike removal algorithm that proceeds without requiring user input. It is minimally dependent on sample attributes, and those that are required (e.g., standard deviation of spectral noise) can be determined with other fully automated procedures. At the core of the method is the identification and location of spikes with coincident second derivatives along both the spectral and spatiotemporal dimensions of two-dimensional datasets. The method can be applied to spectra that are relatively inhomogeneous because it provides fairly effective and selective targeting of spikes resulting in minimal distortion of spectra. Relatively effective spike removal obtained with full automation could provide substantial benefits to users where large numbers of spectra must be processed.

  20. Efficient method of protein extraction from Theobroma cacao L. roots for two-dimensional gel electrophoresis and mass spectrometry analyses.

    Science.gov (United States)

    Bertolde, F Z; Almeida, A-A F; Silva, F A C; Oliveira, T M; Pirovani, C P

    2014-07-04

    Theobroma cacao is a woody and recalcitrant plant with a very high level of interfering compounds. Standard protocols for protein extraction were proposed for various types of samples, but the presence of interfering compounds in many samples prevented the isolation of proteins suitable for two-dimensional gel electrophoresis (2-DE). An efficient method to extract root proteins for 2-DE was established to overcome these problems. The main features of this protocol are: i) precipitation with trichloroacetic acid/acetone overnight to prepare the acetone dry powder (ADP), ii) several additional steps of sonication in the ADP preparation and extractions with dense sodium dodecyl sulfate and phenol, and iii) adding two stages of phenol extractions. Proteins were extracted from roots using this new protocol (Method B) and a protocol described in the literature for T. cacao leaves and meristems (Method A). Using these methods, we obtained a protein yield of about 0.7 and 2.5 mg per 1.0 g lyophilized root, and a total of 60 and 400 spots could be separated, respectively. Through Method B, it was possible to isolate high-quality protein and a high yield of roots from T. cacao for high-quality 2-DE gels. To demonstrate the quality of the extracted proteins from roots of T. cacao using Method B, several protein spots were cut from the 2-DE gels, analyzed by tandem mass spectrometry, and identified. Method B was further tested on Citrus roots, with a protein yield of about 2.7 mg per 1.0 g lyophilized root and 800 detected spots.

  1. Explicit formulation of a nodal transport method for discrete ordinates calculations in two-dimensional fixed-source problems

    Energy Technology Data Exchange (ETDEWEB)

    Tres, Anderson [Universidade Federal do Rio Grande do Sul, Porto Alegre, RS (Brazil). Programa de Pos-Graduacao em Matematica Aplicada; Becker Picoloto, Camila [Universidade Federal do Rio Grande do Sul, Porto Alegre, RS (Brazil). Programa de Pos-Graduacao em Engenharia Mecanica; Prolo Filho, Joao Francisco [Universidade Federal do Rio Grande do Sul, Porto Alegre, RS (Brazil). Inst de Matematica, Estatistica e Fisica; Dias da Cunha, Rudnei; Basso Barichello, Liliane [Universidade Federal do Rio Grande do Sul, Porto Alegre, RS (Brazil). Inst de Matematica

    2014-04-15

    In this work a study of two-dimensional fixed-source neutron transport problems, in Cartesian geometry, is reported. The approach reduces the complexity of the multidimensional problem using a combination of nodal schemes and the Analytical Discrete Ordinates Method (ADO). The unknown leakage terms on the boundaries that appear from the use of the derivation of the nodal scheme are incorporated to the problem source term, such as to couple the one-dimensional integrated solutions, made explicit in terms of the x and y spatial variables. The formulation leads to a considerable reduction of the order of the associated eigenvalue problems when combined with the usual symmetric quadratures, thereby providing solutions that have a higher degree of computational efficiency. Reflective-type boundary conditions are introduced to represent the domain on a simpler form than that previously considered in connection with the ADO method. Numerical results obtained with the technique are provided and compared to those present in the literature. (orig.)

  2. Reaction sintering of two-dimensional silicon carbide fiber-reinforced silicon carbide composite by sheet stacking method

    International Nuclear Information System (INIS)

    Yoshida, Katsumi; Mukai, Hideki; Imai, Masamitsu; Hashimoto, Kazuaki; Toda, Yoshitomo; Hyuga, Hideki; Kondo, Naoki; Kita, Hideki; Yano, Toyohiko

    2007-01-01

    Two-dimensionally plain woven SiC fiber-reinforced SiC composite has been developed by reaction sintering using a sheet stacking method in order to further increase mechanical and thermal properties of the composite and to obtain flexibility of manufacturing process of 2D woven SiC/SiC composites which can be applied to the fabrication of larger parts. In addition, sinterability and mechanical properties of the composite were investigated. In this study, relative density of the composites was about 90-93% and a dense composite could be obtained by reaction sintering using the sheet stacking method. The bulk density and maximum bending strength of SiC/SiC composite with a C/SiC weight ratio of 0.6 were higher than that of the composite with C/SiC ratios of 0.5 or 0.7. The values were 2.9 g/cm 3 and 200 MPa, respectively. However, the composites obtained in this study fractured in almost brittle manner due to the lower fiber volume fraction

  3. Collision probability in two-dimensional lattice by ray-trace method and its applications to cell calculations

    International Nuclear Information System (INIS)

    Tsuchihashi, Keichiro

    1985-03-01

    A series of formulations to evaluate collision probability for multi-region cells expressed by either of three one-dimensional coordinate systems (plane, sphere and cylinder) or by the general two-dimensional cylindrical coordinate system is presented. They are expressed in a suitable form to have a common numerical process named ''Ray-Trace'' method. Applications of the collision probability method to two optional treatments for the resonance absorption are presented. One is a modified table-look-up method based on the intermediate resonance approximation, and the other is a rigorous method to calculate the resonance absorption in a multi-region cell in which nearly continuous energy spectra of the resonance neutron range can be solved and interaction effect between different resonance nuclides can be evaluated. Two works on resonance absorption in a doubly heterogeneous system with grain structure are presented. First, the effect of a random distribution of particles embedded in graphite diluent on the resonance integral is studied. Next, the ''Accretion'' method proposed by Leslie and Jonsson to define the collision probability in a doubly heterogeneous system is applied to evaluate the resonance absorption in coated particles dispersed in fuel pellet of the HTGR. Several optional models are proposed to define the collision rates in the medium with the microscopic heterogeneity. By making use of the collision probability method developed by the present study, the JAERI thermal reactor standard nuclear design code system SRAC has been developed. Results of several benchmark tests for the SRAC are presented. The analyses of critical experiments of the SHE, DCA, and FNR show good agreement of critical masses with their experimental values. (J.P.N.)

  4. Two-dimensional errors

    International Nuclear Information System (INIS)

    Anon.

    1991-01-01

    This chapter addresses the extension of previous work in one-dimensional (linear) error theory to two-dimensional error analysis. The topics of the chapter include the definition of two-dimensional error, the probability ellipse, the probability circle, elliptical (circular) error evaluation, the application to position accuracy, and the use of control systems (points) in measurements

  5. Uncertainty propagation by using spectral methods: A practical application to a two-dimensional turbulence fluid model

    Science.gov (United States)

    Riva, Fabio; Milanese, Lucio; Ricci, Paolo

    2017-10-01

    To reduce the computational cost of the uncertainty propagation analysis, which is used to study the impact of input parameter variations on the results of a simulation, a general and simple to apply methodology based on decomposing the solution to the model equations in terms of Chebyshev polynomials is discussed. This methodology, based on the work by Scheffel [Am. J. Comput. Math. 2, 173-193 (2012)], approximates the model equation solution with a semi-analytic expression that depends explicitly on time, spatial coordinates, and input parameters. By employing a weighted residual method, a set of nonlinear algebraic equations for the coefficients appearing in the Chebyshev decomposition is then obtained. The methodology is applied to a two-dimensional Braginskii model used to simulate plasma turbulence in basic plasma physics experiments and in the scrape-off layer of tokamaks, in order to study the impact on the simulation results of the input parameter that describes the parallel losses. The uncertainty that characterizes the time-averaged density gradient lengths, time-averaged densities, and fluctuation density level are evaluated. A reasonable estimate of the uncertainty of these distributions can be obtained with a single reduced-cost simulation.

  6. Spatial distribution of ozone density in pulsed corona discharges observed by two-dimensional laser absorption method

    Energy Technology Data Exchange (ETDEWEB)

    Ono, Ryo; Oda, Tetsuji [Department of Electrical Engineering, University of Tokyo, 7-3-1 Hongo, Bunkyo-ku, Tokyo, 113-8656 (Japan)

    2004-03-07

    The spatial distribution of ozone density is measured in pulsed corona discharges with a 40 {mu}m spatial resolution using a two-dimensional laser absorption method. Discharge occurs in a 13 mm point-to-plane gap in dry air with a pulse duration of 100 ns. The result shows that the ozone density increases for about 100 {mu}s after the discharge pulse. The rate coefficient of the ozone-producing reaction, O + O{sub 2} + M {yields} O{sub 3} + M, is estimated to be 3.5 x 10{sup -34} cm{sup 6} s{sup -1}. It is observed that ozone is mostly distributed in the secondary-streamer channel. This suggests that most of the ozone is produced by the secondary streamer, not the primary streamer. After the discharge pulse, ozone diffuses into the background from the secondary-streamer channel. The diffusion coefficient of ozone is estimated to be approximately 0.1 to 0.2 cm{sup 2} s{sup -1}.

  7. Development of a neutron transport code many-group two-dimensional heterogeneous calculations by the method of characteristics

    International Nuclear Information System (INIS)

    Petkov, P.T.

    2000-01-01

    The method of characteristics (MOC) is gaining increased popularity in the reactor physics community all over the world because it gives a new degree of freedom in nuclear reactor analysis. The MARIKO code solves the neutron transport equation by the MOC in two-dimensional real geometry. The domain of solution can be a rectangle or right hexagon with periodic boundary conditions on the outer boundary. Any reasonable symmetry inside the domain can be fully accounted for. The geometry is described in three levels-macro-cells, cells, and regions. The macro-cells and cells can be any polygon. The outer boundary of a region can be any combination of straight line and circular arc segments. Any level of embedded regions is allowed. Procedures for automatic geometry description of hexagonal fuel assemblies and reflector macro-cells have been developed. The initial ray tracing procedure is performed for the full rectangular or hexagonal domain, but only azimuthal angles in the smallest symmetry interval are tracked. (Authors)

  8. Numerical Simulation of Particle Flow Motion in a Two-Dimensional Modular Pebble-Bed Reactor with Discrete Element Method

    Directory of Open Access Journals (Sweden)

    Guodong Liu

    2013-01-01

    Full Text Available Modular pebble-bed nuclear reactor (MPBNR technology is promising due to its attractive features such as high fuel performance and inherent safety. Particle motion of fuel and graphite pebbles is highly associated with the performance of pebbled-bed modular nuclear reactor. To understand the mechanism of pebble’s motion in the reactor, we numerically studied the influence of number ratio of fuel and graphite pebbles, funnel angle of the reactor, height of guide ring on the distribution of pebble position, and velocity by means of discrete element method (DEM in a two-dimensional MPBNR. Velocity distributions at different areas of the reactor as well as mixing characteristics of fuel and graphite pebbles were investigated. Both fuel and graphite pebbles moved downward, and a uniform motion was formed in the column zone, while pebbles motion in the cone zone was accelerated due to the decrease of the cross sectional flow area. The number ratio of fuel and graphite pebbles and the height of guide ring had a minor influence on the velocity distribution of pebbles, while the variation of funnel angle had an obvious impact on the velocity distribution. Simulated results agreed well with the work in the literature.

  9. Spatial distribution of ozone density in pulsed corona discharges observed by two-dimensional laser absorption method

    International Nuclear Information System (INIS)

    Ono, Ryo; Oda, Tetsuji

    2004-01-01

    The spatial distribution of ozone density is measured in pulsed corona discharges with a 40 μm spatial resolution using a two-dimensional laser absorption method. Discharge occurs in a 13 mm point-to-plane gap in dry air with a pulse duration of 100 ns. The result shows that the ozone density increases for about 100 μs after the discharge pulse. The rate coefficient of the ozone-producing reaction, O + O 2 + M → O 3 + M, is estimated to be 3.5 x 10 -34 cm 6 s -1 . It is observed that ozone is mostly distributed in the secondary-streamer channel. This suggests that most of the ozone is produced by the secondary streamer, not the primary streamer. After the discharge pulse, ozone diffuses into the background from the secondary-streamer channel. The diffusion coefficient of ozone is estimated to be approximately 0.1 to 0.2 cm 2 s -1

  10. Structural study of ethyl 3-methyl-9-oxo-3-azabicyclo63.3.19nonane-1-carboxylate by two-dimensional NMR spectroscopy

    Science.gov (United States)

    Arias-Pérez, M. S.; Alejo, A.; Gálvez, E.; Pérez, S. M.; Santos, M. J.

    1995-04-01

    Ethyl 3-methyl-9-oxo-3-azabicyclo[3.3.1]nonane-1-carboxylate has been studied by 1H, 13C and 2D NMR spectroscopy in order to establish its conformational behaviour. The combined use of COSY and 1H- 13C correlation spectra helped in the unambiguous and complete assignment of the bicyclic carbon and proton resonances. It is found that the piperidone ring displays a slightly fattened chair conformation with the N-methyl group in the equatorial position, while a twist-chair form seems to be favoured for the cyclohexanone one. Two preferred orientations migth be proposed for the ethoxycarbonyl moiety.

  11. Comprehensive Metabolite Identification Strategy Using Multiple Two-Dimensional NMR Spectra of a Complex Mixture Implemented in the COLMARm Web Server

    Energy Technology Data Exchange (ETDEWEB)

    Bingol, Kerem [Environmental; Li, Da-Wei; Zhang, Bo; Brüschweiler, Rafael

    2016-12-06

    Identification of metabolites in complex mixtures represents a key step in metabolomics. A new strategy is introduced, which is implemented in a new public web server, COLMARm, that permits the co-analysis of up to three 2D NMR spectra, namely 13C-1H HSQC, 1H-1H TOCSY, and 13C-1H HSQC-TOCSY for the comprehensive, accurate, and efficient performance of this task. The highly versatile and interactive nature of COLMARm permits its application to a wide range of metabolomics samples independent of the magnetic field. Database query is performed using the HSQC spectrum and the top metabolite hits are then validated against the TOCSY-type experiment(s) by superimposing the expected cross-peaks on the mixture spectrum. In this way the user can directly accept or reject candidate metabolites by taking advantage of the complementary spectral information offered by these experiments and their different sensitivities. The power of COLMARm is demonstrated for a human serum sample uncovering the existence of 14 metabolites that hitherto were not identified by NMR.

  12. Chemical characterization of a chelator-treated soil humate by solution-state multinuclear two-dimensional NMR and FTIR and pyrolysis-GCMS

    Energy Technology Data Exchange (ETDEWEB)

    Fan, T.W.M.; Higashi, R.M.; Lane, A.N.

    2000-05-01

    A California forest soil used for contaminant bioavailability studies was extracted for humic substances (HS) and then treated with 4,5-dihydroxy-1,3-benzene disulfonate (Tiron) to remove exchangeable metal ions. This yielded HS that was readily water-soluble at neutral pH without residual Tiron contamination, and the gel electrophoretic pattern was very similar to an international reference HS. The improved solubility facilitated analysis of HS by solution-state 1-D and 2-D {sup 1}H, {sup 13}C, {sup 31}P, and {sup 13}C-{sup 1}H NMR. The amino acids Gly, Ala, Leu, lle, Val, Asp, Ser, Thr, Glu, and Pro were identified in intact HS as peptidic from scalar coupling in TOCSY and dipolar interactions in NOESY and then confirmed by acid digestion of HS with 2-D {sup 1}H NMR and GCMS analysis. The presence of peptides was also corroborated by FT-IR and pyrolysis-GCMS results. Carbohydrates containing {alpha}- and {beta}-pyranoses, methoxy-phenylpropanyl structures, phosphate mono/diesters, polyphosphates, plus phosphatidic acid esters were also evident. Furthermore, the {sup 1}H NOESY, TOCSY, and HSQC together indicated that the peptidic side chains were mobile, whereas aromatic groups were relatively rigid. Thus the peptidic moieties may be more readily accessible to aqueous contaminants than aromatic groups.

  13. DNA hairpin structures in solution: 500-MHz two-dimensional 1H NMR studies on d(CGCCGCAGC) and d(CGCCGTAGC)

    International Nuclear Information System (INIS)

    Gupta, G.; Sarma, M.H.; Sarma, R.H.

    1987-01-01

    A hairpin structure contains two conformationally distinct domains: a double-helical stem with Watson-Crick base pairs and a single-stranded loop that connects the two arms of the stem. By extensive 1D and 2D 500-MHz 1 H NMR studies in H 2 O and D 2 O, it has been demonstrated that the DNA oligomers d(CGCCGCAGC) and d(CGCCGTAGC) form hairpin structures under conditions of low concentration, 0.5 mM in DNA strand, and low salt (20 mM NaCl, pH 7). From examination of the nuclear Overhauser effect (NOE) between base protons H8/H6 and sugar protons H1' and H2'/H2'', it was concluded that in D(CGCCGCAGC) and d(CGCCCTAGC) all the nine nucleotides display average (C2'-endo,anti) geometry. The NMR data in conjunction with molecular model building and solvent accessibility studies were used to derive a working model for the hairpins

  14. The method of separation of variables for the Frobenius-Perron operator associated to a class of two dimensional chaotic maps

    International Nuclear Information System (INIS)

    Luevano, Jose-Ruben

    2011-01-01

    Analytical expressions for the invariant densities for a class of discrete two dimensional chaotic systems are given. The method of separation of variables for the associated Frobenius-Perron equation is introduced. These systems are related to nonlinear difference equations which are of the type x k+2 = T(x k ). The function T is a chaotic map of an interval whose chaotic behaviour is inherited to the two dimensional one. We work out in detail some examples, with T an expansive or intermittent map, in order to expose the method. Finally, we discuss how to generalize the method to higher dimensional maps.

  15. Two-dimensional 1H and 31P NMR spectra of a decamer oligodeoxyribonucleotide duplex and a quinoxaline ([MeCys3, MeCys7]TANDEM) drug duplex complex

    International Nuclear Information System (INIS)

    Powers, R.; Olsen, R.K.; Gorenstein, D.G.

    1989-01-01

    Assignment of the 1H and 31P NMR spectra of a decamer oligodeoxyribonucleotide duplex, d(CCCGATCGGG), and its quinoxaline ([MeCys3, MeCys7]TANDEM) drug duplex complex has been made by two-dimensional 1H-1H and heteronuclear 31P-1H correlated spectroscopy. The 31P chemical shifts of this 10 base pair oligonucleotide follow the general observation that the more internal the phosphate is located within the oligonucleotide sequence, the more upfield the 31P resonance occurs. While the 31P chemical shifts show sequence-specific variations, they also do not generally follow the Calladine rules previously demonstrated. 31P NMR also provides a convenient monitor of the phosphate ester backbone conformational changes upon binding of the drug to the duplex. Although the quinoxaline drug, [MeCys3, MeCys7]TANDEM, is generally expected to bind to duplex DNA by bis-intercalation, only small 31P chemical shift changes are observed upon binding the drug to duplex d(CCCGATCGGG). Additionally, only small perturbations in the 1H NMR and UV spectra are observed upon binding the drug to the decamer, although association of the drug stabilizes the duplex form relative to the other states. These results are consistent with a non-intercalative mode of association of the drug. Modeling and molecular mechanics energy minimization demonstrate that a novel structure in which the two quinoxaline rings of the drug binds in the minor groove of the duplex is possible

  16. Hydrothermal liquefaction oil and hydrotreated product from pine feedstock characterized by heteronuclear two-dimensional NMR spectroscopy and FT-ICR mass spectrometry

    Energy Technology Data Exchange (ETDEWEB)

    Sudasinghe, Nilusha; Cort, John R.; Hallen, Richard T.; Olarte, Mariefel V.; Schmidt, Andrew J.; Schaub, Tanner

    2014-12-01

    Hydrothermal liquefaction (HTL) crude oil and hydrotreated product from pine tree farm waste (forest product residual, FPR) have been analyzed by direct infusion electrospray ionization Fourier transform ion cyclotron resonance mass spectrometry (ESI FT-ICR MS) in both positive- and negative-ionization modes and high-resolution twodimensional heteronuclear 1H-13C NMR spectroscopy. FT-ICR MS resolves thousands of compounds in complex oils and provides unparalleled compositional details for individual molecules for identification of compound class (heteroatom content), type (number of rings plus double bonds to carbon or double bond equivalents (DBE) and carbon number (degree of alkylation). Heteronuclear 1H-13C NMR spectroscopy provides one-bond and multiple-bond correlations between pairs of 1H and 13C chemical shifts that are characteristic of different organic functional groups. Taken together this information provides a picture of the chemical composition of these oils. Pyrolysis crude oil product from pine wood was characterized for comparison. Generally, pyrolysis oil is comprised of a more diverse distribution of heteroatom classes with higher oxygen number relative to HTL oil as shown by both positive- and negative-ion ESI FT-ICR MS. A total of 300 N1, 594 O1 and 267 O2 compounds were observed as products of hydrotreatment. The relative abundance of N1O1, N1O2, N1O3, N2, N2O1, N2O2 and O3 compounds are reduced to different degrees after hydrotreatment and other higher heteroatom containing species (O4-O10, N1O4, N1O5 and N2O3) are completely removed by hydrotreatment.

  17. 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

  18. FDTD method for computing the off-plane band structure in a two-dimensional photonic crystal consisting of nearly free-electron metals

    Energy Technology Data Exchange (ETDEWEB)

    Xiao Sanshui; He Sailing

    2002-12-01

    An FDTD numerical method for computing the off-plane band structure of a two-dimensional photonic crystal consisting of nearly free-electron metals is presented. The method requires only a two-dimensional discretization mesh for a given off-plane wave number k{sub z} although the off-plane propagation is a three-dimensional problem. The off-plane band structures of a square lattice of metallic rods with the high-frequency metallic model in the air are studied, and a complete band gap for some nonzero off-plane wave number k{sub z} is founded.

  19. FDTD method for computing the off-plane band structure in a two-dimensional photonic crystal consisting of nearly free-electron metals

    International Nuclear Information System (INIS)

    Xiao Sanshui; He Sailing

    2002-01-01

    An FDTD numerical method for computing the off-plane band structure of a two-dimensional photonic crystal consisting of nearly free-electron metals is presented. The method requires only a two-dimensional discretization mesh for a given off-plane wave number k z although the off-plane propagation is a three-dimensional problem. The off-plane band structures of a square lattice of metallic rods with the high-frequency metallic model in the air are studied, and a complete band gap for some nonzero off-plane wave number k z is founded

  20. Two-dimensional NMR and photo-CIDNP studies of the insulin monomer: Assignment of aromatic resonances with application to protein folding, structure, and dynamics

    International Nuclear Information System (INIS)

    Weiss, M.A.; Shoelson, S.E.; Nguyen, D.T.; O'Shea, E.; Karplus, M.; Khait, I.; Neuringer, L.J.; Inouye, K.; Frank, B.H.; Beckage, M.

    1989-01-01

    The aromatic 1 H NMR resonances of the insulin monomer are assigned at 500 MHz by comparative studies of chemically modified and genetically altered variants, including a mutant insulin (PheB25 → Leu) associated with diabetes mellitus. The two histidines, three phenylalanines, and four tyrosines are observed to be in distinct local environments; their assignment provides sensitive markers for studies of tertiary structure, protein dynamics, and protein folding. The environments of the tyrosine residues have also been investigated by photochemically induced dynamic nuclear polarization (photo-CIDNP) and analyzed in relation to packing constrains in the crystal structures of insulin. Dimerization involving specific B-chain interactions is observed with increasing protein concentration and is shown to depend on temperature, pH, and solvent composition. The differences between proinsulin and mini-proinsulin suggest a structural mechanism for the observation that the fully reduced B29-A1 analogue folds more efficiently than proinsulin to form the correct pattern of disulfide bonds. These results are discussed in relation to molecular mechanics calculations of insulin based on the available crystal structures

  1. An evaluation method of cross-type H-coil angle for accurate two-dimensional vector magnetic measurement

    International Nuclear Information System (INIS)

    Maeda, Yoshitaka; Todaka, Takashi; Shimoji, Hiroyasu; Enokizono, Masato; Sievert, Johanes

    2006-01-01

    Recently, two-dimensional vector magnetic measurement has become popular and many researchers concerned with this field have attracted to develop more accurate measuring systems and standard measurement systems. Because the two-dimensional vector magnetic property is the relationship between the magnetic flux density vector B and the magnetic field strength vector H , the most important parameter is those components. For the accurate measurement of the field strength vector, we have developed an evaluation apparatus, which consists of a standard solenoid coil and a high-precision turntable. Angle errors of a double H-coil (a cross-type H-coil), which is wound one after the other around a former, can be evaluated with this apparatus. The magnetic field strength is compensated with the measured angle error

  2. A two-dimensional model for the analysis of radioactive waste contamination in soils: the integral transform method

    International Nuclear Information System (INIS)

    Leal, M.A.; Ruperti Junior, N.J.; Cotta, R.M.

    1997-01-01

    A two-dimensional model for the flow and mass transfer of radioactive waste in porous media is investigated. The flow equations are modeled under steady-state Darcy regime assumptions, subjected to discrete boundary source terms. The mass transfer of the contaminant is modeled through the transient convection-diffusion equation, allowing for variable dispersivity coefficients and boundary source functions. The Generalized Integral Transform Technique (GITT) is utilized to provide the proposed hybrid numerical-analytical solution . (author)

  3. A two-dimensional model for the analysis of radioactive waste contamination in soils: the integral transform method

    Energy Technology Data Exchange (ETDEWEB)

    Leal, M.A.; Ruperti Junior, N.J. [Comissao Nacional de Energia Nuclear (CNEN), Rio de Janeiro, RJ (Brazil). Coordenacao de Rejeitos Radioativos; Cotta, R.M. [Universidade Federal, Rio de Janeiro, RJ (Brazil). Coordenacao dos Programas de Pos-graduacao de Engenharia. Lab. de Transmissao e Tecnologia do Calor

    1997-12-31

    A two-dimensional model for the flow and mass transfer of radioactive waste in porous media is investigated. The flow equations are modeled under steady-state Darcy regime assumptions, subjected to discrete boundary source terms. The mass transfer of the contaminant is modeled through the transient convection-diffusion equation, allowing for variable dispersivity coefficients and boundary source functions. The Generalized Integral Transform Technique (GITT) is utilized to provide the proposed hybrid numerical-analytical solution . (author) 12 refs., 3 figs.

  4. New lumps of Veselov-Novikov integrable nonlinear equation and new exact rational potentials of two-dimensional stationary Schroedinger equation via ∂-macron-dressing method

    International Nuclear Information System (INIS)

    Dubrovsky, V.G.; Formusatik, I.B.

    2003-01-01

    The scheme for calculating via Zakharov-Manakov ∂-macron-dressing method of new rational solutions with constant asymptotic values at infinity of the famous two-dimensional Veselov-Novikov (VN) integrable nonlinear evolution equation and new exact rational potentials of two-dimensional stationary Schroedinger (2DSchr) equation with multiple pole wave functions is developed. As examples new lumps of VN nonlinear equation and new exact rational potentials of 2DSchr equation with multiple pole of order two wave functions are calculated. Among the constructed rational solutions are as nonsingular and also singular

  5. Basic problems and solution methods for two-dimensional continuous 3 × 3 order hidden Markov model

    International Nuclear Information System (INIS)

    Wang, Guo-gang; Tang, Gui-jin; Gan, Zong-liang; Cui, Zi-guan; Zhu, Xiu-chang

    2016-01-01

    A novel model referred to as two-dimensional continuous 3 × 3 order hidden Markov model is put forward to avoid the disadvantages of the classical hypothesis of two-dimensional continuous hidden Markov model. This paper presents three equivalent definitions of the model, in which the state transition probability relies on not only immediate horizontal and vertical states but also immediate diagonal state, and in which the probability density of the observation relies on not only current state but also immediate horizontal and vertical states. The paper focuses on the three basic problems of the model, namely probability density calculation, parameters estimation and path backtracking. Some algorithms solving the questions are theoretically derived, by exploiting the idea that the sequences of states on rows or columns of the model can be viewed as states of a one-dimensional continuous 1 × 2 order hidden Markov model. Simulation results further demonstrate the performance of the algorithms. Because there are more statistical characteristics in the structure of the proposed new model, it can more accurately describe some practical problems, as compared to two-dimensional continuous hidden Markov model.

  6. Two-dimensional 1H NMR experiments show that the 23-residue magain in antibiotic peptide is an α-helix in dodecylphosphocholine micelles, sodium dodecylsulfate micelles, and trifluoroethanol/water solution

    International Nuclear Information System (INIS)

    Gesell, Jennifer; Zasloff, Michael; Opella, Stanley J.

    1997-01-01

    Magainin2 is a 23-residue antibiotic peptide that disrupts the ionic gradient across certain cell membranes. Two-dimensional 1H NMR spectroscopy was used to investigate the structure of the peptide in three of the membrane environments most commonly employed in biophysical studies. Sequence-specific resonance assignments were determined for the peptide in perdeuterated dodecylphosphocholine (DPC) and sodium dodecylsulfate micelles and confirmed for the peptide in 2,2,2-trifluoroethanol solution. The secondary structure is shown to be helical in all of the solvent systems. The NMR data were used as a set of restraints for a simulated annealing protocol that generated a family of three-dimensional structures of the peptide in DPC micelles, which superimposed best between residues 4 and 20. For these residues, the mean pairwise rms difference for the backbone atoms is 0.47 ± 0.10A from the average structure. The calculated peptide structures appear to be curved,with the bend centered at residues Phe12 and Gly13

  7. Purification of flavonoids from licorice using an off-line preparative two-dimensional normal-phase liquid chromatography/reversed-phase liquid chromatography method.

    Science.gov (United States)

    Fan, Yunpeng; Fu, Yanhui; Fu, Qing; Cai, Jianfeng; Xin, Huaxia; Dai, Mei; Jin, Yu

    2016-07-01

    An orthogonal (71.9%) off-line preparative two-dimensional normal-phase liquid chromatography/reversed-phase liquid chromatography method coupled with effective sample pretreatment was developed for separation and purification of flavonoids from licorice. Most of the nonflavonoids were firstly removed using a self-made Click TE-Cys (60 μm) solid-phase extraction. In the first dimension, an industrial grade preparative chromatography was employed to purify the crude flavonoids. Click TE-Cys (10 μm) was selected as the stationary phase that provided an excellent separation with high reproducibility. Ethyl acetate/ethanol was selected as the mobile phase owing to their excellent solubility for flavonoids. Flavonoids co-eluted in the first dimension were selected for further purification using reversed-phase liquid chromatography. Multiple compounds could be isolated from one normal-phase fraction and some compounds with bad resolution in one-dimensional liquid chromatography could be prepared in this two-dimensional system owing to the orthogonal separation. Moreover, this two-dimensional liquid chromatography method was beneficial for the preparation of relatively trace flavonoid compounds, which were enriched in the first dimension and further purified in the second dimension. Totally, 24 flavonoid compounds with high purity were obtained. The results demonstrated that the off-line two-dimensional liquid chromatography method was effective for the preparative separation and purification of flavonoids from licorice. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  8. Development of one-energy group, two-dimensional, frequency dependent detector adjoint function based on the nodal method

    International Nuclear Information System (INIS)

    Khericha, Soli T.

    2000-01-01

    One-energy group, two-dimensional computer code was developed to calculate the response of a detector to a vibrating absorber in a reactor core. A concept of local/global components, based on the frequency dependent detector adjoint function, and a nodalization technique were utilized. The frequency dependent detector adjoint functions presented by complex equations were expanded into real and imaginary parts. In the nodalization technique, the flux is expanded into polynomials about the center point of each node. The phase angle and the magnitude of the one-energy group detector adjoint function were calculated for a detector located in the center of a 200x200 cm reactor using a two-dimensional nodalization technique, the computer code EXTERMINATOR, and the analytical solution. The purpose of this research was to investigate the applicability of a polynomial nodal model technique to the calculations of the real and the imaginary parts of the detector adjoint function for one-energy group two-dimensional polynomial nodal model technique. From the results as discussed earlier, it is concluded that the nodal model technique can be used to calculate the detector adjoint function and the phase angle. Using the computer code developed for nodal model technique, the magnitude of one energy group frequency dependent detector adjoint function and the phase angle were calculated for the detector located in the center of a 200x200 cm homogenous reactor. The real part of the detector adjoint function was compared with the results obtained from the EXTERMINATOR computer code as well as the analytical solution based on a double sine series expansion using the classical Green's Function solution. The values were found to be less than 1% greater at 20 cm away from the source region and about 3% greater closer to the source compared to the values obtained from the analytical solution and the EXTERMINATOR code. The currents at the node interface matched within 1% of the average

  9. Two-dimensional analyzer for the Δ-E method of identification and detection of the charged particles

    International Nuclear Information System (INIS)

    Artemov, S.V.; Bajajin, A.G.; Karakhodzhaev, A.A.; Nam, I.V.; Nebesny, A.F.; Radyuk, G.A.; Yakushev, V.P.; Burtebayev, N.

    2007-01-01

    Full text: The module for measuring two-dimensional ΔE-E - spectra has been designed and manufactured. It was developed for transformation of the spectrometric signals from the spectrometric line of a ΔE-E - telescope and transferring the numerical information as a two-dimensional matrix of events to the leading PC. The functional circuit of the arrangement operates as follows. The input signals from the spectrometric lines of the ΔE- and E- detectors are fixed by the relevant peak detectors, which exits are connected with the analog - digital converters (ADC0-16, ADC1 - 16). With the signal 'strobe' the transformation of the captured input amplitude to the numeric code is yielded synchronously in both channels. These values ('E' and 'dE') determine the indexes of a matrix (such as MATRIX [E, dE] ++), and addition of '1' to the array value is fulfilled. Process is prolonged during a preset time of measuring. Change of the indexes of arrays under the exterior indication is possible as: MATRIX [E+dE, dE]; MATRIX [(E+dE/2), dE/2]; The resolution of transformation is possible to be equal 256 or 512 channels that is defined by program. The arrangement contains also the counter of the amount of strobe pulses and counters of exterior events. For acceleration of transferring the data array to the leading computer the interface of 'USB2.0' type with microcontroller C8051F321 - GM is implemented. The software for it has been written on 'C ' ' language in the united system keil μVision3. For the main computer the software has been written in system Builder 6 ('C++' language). Given software is written as an application of WINDOWS XP, for the assignment of parameters of measuring and activation of the arrangement and other guidance

  10. JAC2D: A two-dimensional finite element computer program for the nonlinear quasi-static response of solids with the conjugate gradient method

    International Nuclear Information System (INIS)

    Biffle, J.H.; Blanford, M.L.

    1994-05-01

    JAC2D is a two-dimensional finite element program designed to solve quasi-static nonlinear mechanics problems. A set of continuum equations describes the nonlinear mechanics involving large rotation and strain. A nonlinear conjugate gradient method is used to solve the equations. The method is implemented in a two-dimensional setting with various methods for accelerating convergence. Sliding interface logic is also implemented. A four-node Lagrangian uniform strain element is used with hourglass stiffness to control the zero-energy modes. This report documents the elastic and isothermal elastic/plastic material model. Other material models, documented elsewhere, are also available. The program is vectorized for efficient performance on Cray computers. Sample problems described are the bending of a thin beam, the rotation of a unit cube, and the pressurization and thermal loading of a hollow sphere

  11. 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

  12. Development of Two-Dimensional NMR

    Indian Academy of Sciences (India)

    IAS Admin

    time domain, allowing the application of multiple pulses and giving rise to the subject ... case of saturation, change the intensity of 'nearest-neighbours-in- space' by .... and I reached Zürich to work in the 'joint' project for one year. I was given a ...

  13. Evaluation of different protein extraction methods for banana (Musa spp.) root proteome analysis by two-dimensional electrophoresis.

    Science.gov (United States)

    Vaganan, M Mayil; Sarumathi, S; Nandakumar, A; Ravi, I; Mustaffa, M M

    2015-02-01

    Four protocols viz., the trichloroacetic acid-acetone (TCA), phenol-ammonium acetate (PAA), phenol/SDS-ammonium acetate (PSA) and trisbase-acetone (TBA) were evaluated with modifications for protein extraction from banana (Grand Naine) roots, considered as recalcitrant tissues for proteomic analysis. The two-dimensional electrophoresis (2-DE) separated proteins were compared based on protein yield, number of resolved proteins, sum of spot quantity, average spot intensity and proteins resolved in 4-7 pI range. The PAA protocol yielded more proteins (0.89 mg/g of tissues) and protein spots (584) in 2-DE gel than TCA and other protocols. Also, the PAA protocol was superior in terms of sum of total spot quantity and average spot intensity than TCA and other protocols, suggesting phenol as extractant and ammonium acetate as precipitant of proteins were the most suitable for banana rooteomics analysis by 2-DE. In addition, 1:3 ratios of root tissue to extraction buffer and overnight protein precipitation were most efficient to obtain maximum protein yield.

  14. A novel fusion method of improved adaptive LTP and two-directional two-dimensional PCA for face feature extraction

    Science.gov (United States)

    Luo, Yuan; Wang, Bo-yu; Zhang, Yi; Zhao, Li-ming

    2018-03-01

    In this paper, under different illuminations and random noises, focusing on the local texture feature's defects of a face image that cannot be completely described because the threshold of local ternary pattern (LTP) cannot be calculated adaptively, a local three-value model of improved adaptive local ternary pattern (IALTP) is proposed. Firstly, the difference function between the center pixel and the neighborhood pixel weight is established to obtain the statistical characteristics of the central pixel and the neighborhood pixel. Secondly, the adaptively gradient descent iterative function is established to calculate the difference coefficient which is defined to be the threshold of the IALTP operator. Finally, the mean and standard deviation of the pixel weight of the local region are used as the coding mode of IALTP. In order to reflect the overall properties of the face and reduce the dimension of features, the two-directional two-dimensional PCA ((2D)2PCA) is adopted. The IALTP is used to extract local texture features of eyes and mouth area. After combining the global features and local features, the fusion features (IALTP+) are obtained. The experimental results on the Extended Yale B and AR standard face databases indicate that under different illuminations and random noises, the algorithm proposed in this paper is more robust than others, and the feature's dimension is smaller. The shortest running time reaches 0.329 6 s, and the highest recognition rate reaches 97.39%.

  15. Proteomic analysis of docetaxel resistance in human nasopharyngeal carcinoma cells using the two-dimensional gel electrophoresis method.

    Science.gov (United States)

    Peng, Xingchen; Gong, Fengming M; Ren, Min; Ai, Ping; Wu, ShaoYong; Tang, Jie; Hu, XiaoLin

    2016-09-01

    Docetaxel-based chemotherapy has been recommended for advanced nasopharyngeal carcinoma (NPC). However, treatment failure often occurs because of acquired drug resistance. In this study, a docetaxel-resistant NPC cell line CNE-2R was established with increasing doses of docetaxel for more than 6 months. Two-dimensional gel electrophoresis and ESI-Q-TOF-MS were used to compare the differential expression of docetaxel-resistance-associated proteins between human NPC CNE-2 cells and docetaxel-resistant CNE-2R cells. As a result, 24 differentially expressed proteins were identified, including 11 proteins with increased expression and 13 proteins with decreased expression. These proteins function in diverse biological processes such as metabolism, signal transduction, calcium ion binding, immune response, proteolysis, and so on. Among these, α-enolase (ENO1), significantly upregulated in CNE-2R, was selected for detailed analysis. Inhibition of ENO1 by shRNA restored CNE-2R cells' sensitivity to docetaxel. Moreover, overexpression of ENO1 could facilitate the development of acquired resistance of docetaxel in CNE-2 cells. Western blot and reverse-transcription PCR data of clinical samples confirmed that α-enolase was upregulated in docetaxel-resistant human NPC tissues. Finding such proteins might improve interpretation of the molecular mechanisms leading to the acquisition of docetaxel chemoresistance.

  16. A NEW METHOD OF PEAK DETECTION FOR ANALYSIS OF COMPREHENSIVE TWO-DIMENSIONAL GAS CHROMATOGRAPHY MASS SPECTROMETRY DATA.

    Science.gov (United States)

    Kim, Seongho; Ouyang, Ming; Jeong, Jaesik; Shen, Changyu; Zhang, Xiang

    2014-06-01

    We develop a novel peak detection algorithm for the analysis of comprehensive two-dimensional gas chromatography time-of-flight mass spectrometry (GC×GC-TOF MS) data using normal-exponential-Bernoulli (NEB) and mixture probability models. The algorithm first performs baseline correction and denoising simultaneously using the NEB model, which also defines peak regions. Peaks are then picked using a mixture of probability distribution to deal with the co-eluting peaks. Peak merging is further carried out based on the mass spectral similarities among the peaks within the same peak group. The algorithm is evaluated using experimental data to study the effect of different cut-offs of the conditional Bayes factors and the effect of different mixture models including Poisson, truncated Gaussian, Gaussian, Gamma, and exponentially modified Gaussian (EMG) distributions, and the optimal version is introduced using a trial-and-error approach. We then compare the new algorithm with two existing algorithms in terms of compound identification. Data analysis shows that the developed algorithm can detect the peaks with lower false discovery rates than the existing algorithms, and a less complicated peak picking model is a promising alternative to the more complicated and widely used EMG mixture models.

  17. A NEW METHOD OF PEAK DETECTION FOR ANALYSIS OF COMPREHENSIVE TWO-DIMENSIONAL GAS CHROMATOGRAPHY MASS SPECTROMETRY DATA*

    Science.gov (United States)

    Kim, Seongho; Ouyang, Ming; Jeong, Jaesik; Shen, Changyu; Zhang, Xiang

    2014-01-01

    We develop a novel peak detection algorithm for the analysis of comprehensive two-dimensional gas chromatography time-of-flight mass spectrometry (GC×GC-TOF MS) data using normal-exponential-Bernoulli (NEB) and mixture probability models. The algorithm first performs baseline correction and denoising simultaneously using the NEB model, which also defines peak regions. Peaks are then picked using a mixture of probability distribution to deal with the co-eluting peaks. Peak merging is further carried out based on the mass spectral similarities among the peaks within the same peak group. The algorithm is evaluated using experimental data to study the effect of different cut-offs of the conditional Bayes factors and the effect of different mixture models including Poisson, truncated Gaussian, Gaussian, Gamma, and exponentially modified Gaussian (EMG) distributions, and the optimal version is introduced using a trial-and-error approach. We then compare the new algorithm with two existing algorithms in terms of compound identification. Data analysis shows that the developed algorithm can detect the peaks with lower false discovery rates than the existing algorithms, and a less complicated peak picking model is a promising alternative to the more complicated and widely used EMG mixture models. PMID:25264474

  18. A Numerical Scheme Based on an Immersed Boundary Method for Compressible Turbulent Flows with Shocks: Application to Two-Dimensional Flows around Cylinders

    Directory of Open Access Journals (Sweden)

    Shun Takahashi

    2014-01-01

    Full Text Available A computational code adopting immersed boundary methods for compressible gas-particle multiphase turbulent flows is developed and validated through two-dimensional numerical experiments. The turbulent flow region is modeled by a second-order pseudo skew-symmetric form with minimum dissipation, while the monotone upstream-centered scheme for conservation laws (MUSCL scheme is employed in the shock region. The present scheme is applied to the flow around a two-dimensional cylinder under various freestream Mach numbers. Compared with the original MUSCL scheme, the minimum dissipation enabled by the pseudo skew-symmetric form significantly improves the resolution of the vortex generated in the wake while retaining the shock capturing ability. In addition, the resulting aerodynamic force is significantly improved. Also, the present scheme is successfully applied to moving two-cylinder problems.

  19. Two-dimensional critical phenomena

    International Nuclear Information System (INIS)

    Saleur, H.

    1987-09-01

    Two dimensional critical systems are studied using transformation to free fields and conformal invariance methods. The relations between the two approaches are also studied. The analytical results obtained generally depend on universality hypotheses or on renormalization group trajectories which are not established rigorously, so numerical verifications, mainly using the transfer matrix approach, are presented. The exact determination of critical exponents; the partition functions of critical models on toruses; and results as the critical point is approached are discussed [fr

  20. Two-dimensional calculus

    CERN Document Server

    Osserman, Robert

    2011-01-01

    The basic component of several-variable calculus, two-dimensional calculus is vital to mastery of the broader field. This extensive treatment of the subject offers the advantage of a thorough integration of linear algebra and materials, which aids readers in the development of geometric intuition. An introductory chapter presents background information on vectors in the plane, plane curves, and functions of two variables. Subsequent chapters address differentiation, transformations, and integration. Each chapter concludes with problem sets, and answers to selected exercises appear at the end o

  1. Two-dimensional models

    International Nuclear Information System (INIS)

    Schroer, Bert; Freie Universitaet, Berlin

    2005-02-01

    It is not possible to compactly review the overwhelming literature on two-dimensional models in a meaningful way without a specific viewpoint; I have therefore tacitly added to the above title the words 'as theoretical laboratories for general quantum field theory'. I dedicate this contribution to the memory of J. A. Swieca with whom I have shared the passion of exploring 2-dimensional models for almost one decade. A shortened version of this article is intended as a contribution to the project 'Encyclopedia of mathematical physics' and comments, suggestions and critical remarks are welcome. (author)

  2. Topology optimization of two-dimensional waveguides

    DEFF Research Database (Denmark)

    Jensen, Jakob Søndergaard; Sigmund, Ole

    2003-01-01

    In this work we use the method of topology optimization to design two-dimensional waveguides with low transmission loss.......In this work we use the method of topology optimization to design two-dimensional waveguides with low transmission loss....

  3. Two-dimensional ferroelectrics

    Energy Technology Data Exchange (ETDEWEB)

    Blinov, L M; Fridkin, Vladimir M; Palto, Sergei P [A.V. Shubnikov Institute of Crystallography, Russian Academy of Sciences, Moscow, Russian Federaion (Russian Federation); Bune, A V; Dowben, P A; Ducharme, Stephen [Department of Physics and Astronomy, Behlen Laboratory of Physics, Center for Materials Research and Analysis, University of Nebraska-Linkoln, Linkoln, NE (United States)

    2000-03-31

    The investigation of the finite-size effect in ferroelectric crystals and films has been limited by the experimental conditions. The smallest demonstrated ferroelectric crystals had a diameter of {approx}200 A and the thinnest ferroelectric films were {approx}200 A thick, macroscopic sizes on an atomic scale. Langmuir-Blodgett deposition of films one monolayer at a time has produced high quality ferroelectric films as thin as 10 A, made from polyvinylidene fluoride and its copolymers. These ultrathin films permitted the ultimate investigation of finite-size effects on the atomic thickness scale. Langmuir-Blodgett films also revealed the fundamental two-dimensional character of ferroelectricity in these materials by demonstrating that there is no so-called critical thickness; films as thin as two monolayers (1 nm) are ferroelectric, with a transition temperature near that of the bulk material. The films exhibit all the main properties of ferroelectricity with a first-order ferroelectric-paraelectric phase transition: polarization hysteresis (switching); the jump in spontaneous polarization at the phase transition temperature; thermal hysteresis in the polarization; the increase in the transition temperature with applied field; double hysteresis above the phase transition temperature; and the existence of the ferroelectric critical point. The films also exhibit a new phase transition associated with the two-dimensional layers. (reviews of topical problems)

  4. A Green's function method for two-dimensional reactive solute transport in a parallel fracture-matrix system

    Science.gov (United States)

    Chen, Kewei; Zhan, Hongbin

    2018-06-01

    The reactive solute transport in a single fracture bounded by upper and lower matrixes is a classical problem that captures the dominant factors affecting transport behavior beyond pore scale. A parallel fracture-matrix system which considers the interaction among multiple paralleled fractures is an extension to a single fracture-matrix system. The existing analytical or semi-analytical solution for solute transport in a parallel fracture-matrix simplifies the problem to various degrees, such as neglecting the transverse dispersion in the fracture and/or the longitudinal diffusion in the matrix. The difficulty of solving the full two-dimensional (2-D) problem lies in the calculation of the mass exchange between the fracture and matrix. In this study, we propose an innovative Green's function approach to address the 2-D reactive solute transport in a parallel fracture-matrix system. The flux at the interface is calculated numerically. It is found that the transverse dispersion in the fracture can be safely neglected due to the small scale of fracture aperture. However, neglecting the longitudinal matrix diffusion would overestimate the concentration profile near the solute entrance face and underestimate the concentration profile at the far side. The error caused by neglecting the longitudinal matrix diffusion decreases with increasing Peclet number. The longitudinal matrix diffusion does not have obvious influence on the concentration profile in long-term. The developed model is applied to a non-aqueous-phase-liquid (DNAPL) contamination field case in New Haven Arkose of Connecticut in USA to estimate the Trichloroethylene (TCE) behavior over 40 years. The ratio of TCE mass stored in the matrix and the injected TCE mass increases above 90% in less than 10 years.

  5. On the Analytical Superiority of 1D NMR for Fingerprinting the Higher Order Structure of Protein Therapeutics Compared to Multidimensional NMR Methods.

    Science.gov (United States)

    Poppe, Leszek; Jordan, John B; Rogers, Gary; Schnier, Paul D

    2015-06-02

    An important aspect in the analytical characterization of protein therapeutics is the comprehensive characterization of higher order structure (HOS). Nuclear magnetic resonance (NMR) is arguably the most sensitive method for fingerprinting HOS of a protein in solution. Traditionally, (1)H-(15)N or (1)H-(13)C correlation spectra are used as a "structural fingerprint" of HOS. Here, we demonstrate that protein fingerprint by line shape enhancement (PROFILE), a 1D (1)H NMR spectroscopy fingerprinting approach, is superior to traditional two-dimensional methods using monoclonal antibody samples and a heavily glycosylated protein therapeutic (Epoetin Alfa). PROFILE generates a high resolution structural fingerprint of a therapeutic protein in a fraction of the time required for a 2D NMR experiment. The cross-correlation analysis of PROFILE spectra allows one to distinguish contributions from HOS vs protein heterogeneity, which is difficult to accomplish by 2D NMR. We demonstrate that the major analytical limitation of two-dimensional methods is poor selectivity, which renders these approaches problematic for the purpose of fingerprinting large biological macromolecules.

  6. Vorticity vector-potential method based on time-dependent curvilinear coordinates for two-dimensional rotating flows in closed configurations

    Science.gov (United States)

    Fu, Yuan; Zhang, Da-peng; Xie, Xi-lin

    2018-04-01

    In this study, a vorticity vector-potential method for two-dimensional viscous incompressible rotating driven flows is developed in the time-dependent curvilinear coordinates. The method is applicable in both inertial and non-inertial frames of reference with the advantage of a fixed and regular calculation domain. The numerical method is applied to triangle and curved triangle configurations in constant and varying rotational angular velocity cases respectively. The evolutions of flow field are studied. The geostrophic effect, unsteady effect and curvature effect on the evolutions are discussed.

  7. Numerical modeling method on the movement of water flow and suspended solids in two-dimensional sedimentation tanks in the wastewater treatment plant.

    Science.gov (United States)

    Zeng, Guang-Ming; Jiang, Yi-Min; Qin, Xiao-Sheng; Huang, Guo-He; Li, Jian-Bing

    2003-01-01

    Taking the distributing calculation of velocity and concentration as an example, the paper established a series of governing equations by the vorticity-stream function method, and dispersed the equations by the finite differencing method. After figuring out the distribution field of velocity, the paper also calculated the concentration distribution in sedimentation tank by using the two-dimensional concentration transport equation. The validity and feasibility of the numerical method was verified through comparing with experimental data. Furthermore, the paper carried out a tentative exploration into the application of numerical simulation of sedimentation tanks.

  8. Absorption and scattering coefficients estimation in two-dimensional participating media using the generalized maximum entropy and Levenberg-Marquardt methods

    International Nuclear Information System (INIS)

    Berrocal T, Mariella J.; Roberty, Nilson C.; Silva Neto, Antonio J.; Universidade Federal, Rio de Janeiro, RJ

    2002-01-01

    The solution of inverse problems in participating media where there is emission, absorption and dispersion of the radiation possesses several applications in engineering and medicine. The objective of this work is to estimative the coefficients of absorption and dispersion in two-dimensional heterogeneous participating media, using in independent form the Generalized Maximum Entropy and Levenberg Marquardt methods. Both methods are based on the solution of the direct problem that is modeled by the Boltzmann equation in cartesian geometry. Some cases testes are presented. (author)

  9. A new method for the determination of peak distribution across a two-dimensional separation space for the identification of optimal column combinations.

    Science.gov (United States)

    Leonhardt, Juri; Teutenberg, Thorsten; Buschmann, Greta; Gassner, Oliver; Schmidt, Torsten C

    2016-11-01

    For the identification of the optimal column combinations, a comparative orthogonality study of single columns and columns coupled in series for the first dimension of a microscale two-dimensional liquid chromatographic approach was performed. In total, eight columns or column combinations were chosen. For the assessment of the optimal column combination, the orthogonality value as well as the peak distributions across the first and second dimension was used. In total, three different methods of orthogonality calculation, namely the Convex Hull, Bin Counting, and Asterisk methods, were compared. Unfortunately, the first two methods do not provide any information of peak distribution. The third method provides this important information, but is not optimal when only a limited number of components are used for method development. Therefore, a new concept for peak distribution assessment across the separation space of two-dimensional chromatographic systems and clustering detection was developed. It could be shown that the Bin Counting method in combination with additionally calculated histograms for the respective dimensions is well suited for the evaluation of orthogonality and peak clustering. The newly developed method could be used generally in the assessment of 2D separations. Graphical Abstract ᅟ.

  10. New methods for the correction of 31P NMR spectra in in vivo NMR spectroscopy

    International Nuclear Information System (INIS)

    Starcuk, Z.; Bartusek, K.; Starcuk, Z. jr.

    1994-01-01

    The new methods for the correction of 31 P NMR spectra in vivo NMR spectroscopy have been performed. A method for the baseline correction of the spectra which represents a combination of time-domain and frequency-domain has been discussed.The method is very fast and efficient for minimization of base line artifacts of biological tissues impact

  11. Two-dimensional nuclear magnetic resonance of quadrupolar systems

    Energy Technology Data Exchange (ETDEWEB)

    Wang, Shuanhu [Univ. of California, Berkeley, CA (United States)

    1997-09-01

    This dissertation describes two-dimensional nuclear magnetic resonance theory and experiments which have been developed to study quadruples in the solid state. The technique of multiple-quantum magic-angle spinning (MQMAS) is extensively reviewed and expanded upon in this thesis. Specifically, MQMAS is first compared with another technique, dynamic-angle spinning (DAS). The similarity between the two techniques allows us to extend much of the DAS work to the MQMAS case. Application of MQMAS to a series of aluminum containing materials is then presented. The superior resolution enhancement through MQMAS is exploited to detect the five- and six-coordinated aluminum in many aluminosilicate glasses. Combining the MQMAS method with other experiments, such as HETCOR, greatly expands the possibility of the use of MQMAS to study a large range of problems and is demonstrated in Chapter 5. Finally, the technique switching-angle spinning (SAS) is applied to quadrupolar nuclei to fully characterize a quadrupolar spin system in which all of the 8 NMR parameters are accurately determined. This dissertation is meant to demonstrate that with the combination of two-dimensional NMR concepts and new advanced spinning technologies, a series of multiple-dimensional NMR techniques can be designed to allow a detailed study of quadrupolar nuclei in the solid state.

  12. Thermal field theory in a layer: Applications of thermal field theory methods to the propagation of photons in a two-dimensional electron sheet

    International Nuclear Information System (INIS)

    Nieves, Jose F.

    2010-01-01

    We apply the thermal field theory methods to study the propagation of photons in a plasma layer, that is a plasma in which the electrons are confined to a two-dimensional plane sheet. We calculate the photon self-energy and determine the appropriate expression for the photon propagator in such a medium, from which the properties of the propagating modes are obtained. The formulas for the photon dispersion relations and polarization vectors are derived explicitly in some detail for some simple cases of the thermal distributions of the charged particle gas, and appropriate formulas that are applicable in more general situations are also given.

  13. The method of inversion of magnetic island two-dimensional structure by magnetic probes and its application on HL-2A tokamak

    International Nuclear Information System (INIS)

    Sun Tengfei; Liu Yi; Ji Xiaoquan; Xu Yuan; Feng Beibin

    2011-01-01

    The new method that reconstructs the polar two-dimensional structure of the magnetic island using magnetic pickup coils data is introduced on HL-2A tokamak and dynamic analysis method that set up based on it for tearing mode is also introduced. In this experiment, the perturbation current which is the source of the perturbation magnetic field can be determined using the data measured by magnetic probes. Superimposing the perturbation flux and equilibrium flux reconnected by EFIT, the structure and the width of the magnetic islands can be obtained. Then two-dimensional structure maps are set up chronologically and recorded in turn. After that these maps are revealed in turn and magnetic island can be analyzed dynamically. This method is applied to analyzing tearing mode. The conclusion that magnetic island rotating direction is in accordance with electronic diamagnetic drift direction is reached. The relationship between the magnetic island width and the magnetic perturbation field is proved and the suppression of magnetic island by ECRH is also verified.It shows the immediacy of the method of inversion of magnetic island structure by magnetic probes and it is very useful for watching and controlling MHD instability. (authors)

  14. A postprocessing method based on chirp Z transform for FDTD calculation of point defect states in two-dimensional phononic crystals

    International Nuclear Information System (INIS)

    Su Xiaoxing; Wang Yuesheng

    2010-01-01

    In this paper, a new postprocessing method for the finite difference time domain (FDTD) calculation of the point defect states in two-dimensional (2D) phononic crystals (PNCs) is developed based on the chirp Z transform (CZT), one of the frequency zooming techniques. The numerical results for the defect states in 2D solid/liquid PNCs with single or double point defects show that compared with the fast Fourier transform (FFT)-based postprocessing method, the method can improve the estimation accuracy of the eigenfrequencies of the point defect states significantly when the FDTD calculation is run with relatively few iterations; and furthermore it can yield the point defect bands without calculating all eigenfrequencies outside the band gaps. The efficiency and accuracy of the FDTD method can be improved significantly with this new postprocessing method.

  15. A postprocessing method based on chirp Z transform for FDTD calculation of point defect states in two-dimensional phononic crystals

    Energy Technology Data Exchange (ETDEWEB)

    Su Xiaoxing, E-mail: xxsu@bjtu.edu.c [School of Electronic and Information Engineering, Beijing Jiaotong University, Beijing 100044 (China); Wang Yuesheng [Institute of Engineering Mechanics, Beijing Jiaotong University, Beijing 100044 (China)

    2010-09-01

    In this paper, a new postprocessing method for the finite difference time domain (FDTD) calculation of the point defect states in two-dimensional (2D) phononic crystals (PNCs) is developed based on the chirp Z transform (CZT), one of the frequency zooming techniques. The numerical results for the defect states in 2D solid/liquid PNCs with single or double point defects show that compared with the fast Fourier transform (FFT)-based postprocessing method, the method can improve the estimation accuracy of the eigenfrequencies of the point defect states significantly when the FDTD calculation is run with relatively few iterations; and furthermore it can yield the point defect bands without calculating all eigenfrequencies outside the band gaps. The efficiency and accuracy of the FDTD method can be improved significantly with this new postprocessing method.

  16. Vector form Intrinsic Finite Element Method for the Two-Dimensional Analysis of Marine Risers with Large Deformations

    Science.gov (United States)

    Li, Xiaomin; Guo, Xueli; Guo, Haiyan

    2018-06-01

    Robust numerical models that describe the complex behaviors of risers are needed because these constitute dynamically sensitive systems. This paper presents a simple and efficient algorithm for the nonlinear static and dynamic analyses of marine risers. The proposed approach uses the vector form intrinsic finite element (VFIFE) method, which is based on vector mechanics theory and numerical calculation. In this method, the risers are described by a set of particles directly governed by Newton's second law and are connected by weightless elements that can only resist internal forces. The method does not require the integration of the stiffness matrix, nor does it need iterations to solve the governing equations. Due to these advantages, the method can easily increase or decrease the element and change the boundary conditions, thus representing an innovative concept of solving nonlinear behaviors, such as large deformation and large displacement. To prove the feasibility of the VFIFE method in the analysis of the risers, rigid and flexible risers belonging to two different categories of marine risers, which usually have differences in modeling and solving methods, are employed in the present study. In the analysis, the plane beam element is adopted in the simulation of interaction forces between the particles and the axial force, shear force, and bending moment are also considered. The results are compared with the conventional finite element method (FEM) and those reported in the related literature. The findings revealed that both the rigid and flexible risers could be modeled in a similar unified analysis model and that the VFIFE method is feasible for solving problems related to the complex behaviors of marine risers.

  17. An effective protein extraction method for two-dimensional electrophoresis in the anticancer herb Andrographis paniculata Nees.

    Science.gov (United States)

    Talei, Daryush; Valdiani, Alireza; Puad, Mohd Abdullah

    2013-01-01

    Proteomic analysis of plants relies on high yields of pure protein. In plants, protein extraction and purification present a great challenge due to accumulation of a large amount of interfering substances, including polysaccharides, polyphenols, and secondary metabolites. Therefore, it is necessary to modify the extraction protocols. A study was conducted to compare four protein extraction and precipitation methods for proteomic analysis. The results showed significant differences in protein content among the four methods. The chloroform-trichloroacetic acid-acetone method using 4-(2-hydroxyethyl)-1-piperazineethanesulfonic acid (HEPES) buffer provided the best results in terms of protein content, pellets, spot resolution, and intensity of unique spots detected. An overall of 83 qualitative or quantitative significant differential spots were found among the four methods. Based on the 2-DE gel map, the method is expected to benefit the development of high-level proteomic and biochemical studies of Andrographis paniculata, which may also be applied to other recalcitrant medicinal plant tissues. © 2013 International Union of Biochemistry and Molecular Biology, Inc.

  18. Methods for the Determination of Currents and Fields in Steady Two-Dimensional MHD Flow With Tensor Conductivity

    International Nuclear Information System (INIS)

    Witalis, E.A.

    1965-12-01

    Rigorous derivations are given of the basic equations and methods available for the analysis of transverse MHD flow when Hall currents are not suppressed. The gas flow is taken to be incompressible and viscous with uniform tensor conductivity and arbitrary magnetic Reynold's number. The magnetic field is perpendicular to the flow and has variable strength. Analytical solutions can be obtained either in terms of the induced magnetic field or from two types of electric potential. The relevant set of suitable simplifications, restrictive conditions and boundary value considerations for each method is given

  19. Methods for the Determination of Currents and Fields in Steady Two-Dimensional MHD Flow With Tensor Conductivity

    Energy Technology Data Exchange (ETDEWEB)

    Witalis, E A

    1965-12-15

    Rigorous derivations are given of the basic equations and methods available for the analysis of transverse MHD flow when Hall currents are not suppressed. The gas flow is taken to be incompressible and viscous with uniform tensor conductivity and arbitrary magnetic Reynold's number. The magnetic field is perpendicular to the flow and has variable strength. Analytical solutions can be obtained either in terms of the induced magnetic field or from two types of electric potential. The relevant set of suitable simplifications, restrictive conditions and boundary value considerations for each method is given.

  20. Performance evaluation of methods for two-dimensional displacement and strain estimation using ultrasound radio frequency data

    NARCIS (Netherlands)

    Lopata, R.G.P.; Nillesen, M.M.; Hansen, H.H.G.; Gerrits, I.H.; Thijssen, J.M.; Korte, de C.L.

    2009-01-01

    In elastography, several methods for 2-D strain imaging have been introduced, based on both raw frequency (RF) data and speckle-tracking. Although the precision and lesion detectability of axial strain imaging in terms of elastographic signal-to-noise ratio (SNRe) and elastographic contrast-to-noise

  1. A two-dimensional iterative panel method and boundary layer model for bio-inspired multi-body wings

    Science.gov (United States)

    Blower, Christopher J.; Dhruv, Akash; Wickenheiser, Adam M.

    2014-03-01

    The increased use of Unmanned Aerial Vehicles (UAVs) has created a continuous demand for improved flight capabilities and range of use. During the last decade, engineers have turned to bio-inspiration for new and innovative flow control methods for gust alleviation, maneuverability, and stability improvement using morphing aircraft wings. The bio-inspired wing design considered in this study mimics the flow manipulation techniques performed by birds to extend the operating envelope of UAVs through the installation of an array of feather-like panels across the airfoil's upper and lower surfaces while replacing the trailing edge flap. Each flap has the ability to deflect into both the airfoil and the inbound airflow using hinge points with a single degree-of-freedom, situated at 20%, 40%, 60% and 80% of the chord. The installation of the surface flaps offers configurations that enable advantageous maneuvers while alleviating gust disturbances. Due to the number of possible permutations available for the flap configurations, an iterative constant-strength doublet/source panel method has been developed with an integrated boundary layer model to calculate the pressure distribution and viscous drag over the wing's surface. As a result, the lift, drag and moment coefficients for each airfoil configuration can be calculated. The flight coefficients of this numerical method are validated using experimental data from a low speed suction wind tunnel operating at a Reynolds Number 300,000. This method enables the aerodynamic assessment of a morphing wing profile to be performed accurately and efficiently in comparison to Computational Fluid Dynamics methods and experiments as discussed herein.

  2. Incorpararion of Topography Effect Into Two-Dimensional DC Resistivity Modelling by Using Finite-Element Method

    International Nuclear Information System (INIS)

    Erdogan, E.

    2007-01-01

    In earth investigation done by using the direct current resistivity technique, impact of the change in the examined surface topography on determining the resistivity distrubition in the earth has been a frequently faced question. In order to get more fruitful results and make more correct interpretetions in earth surveying carried on the areas where topographical changes occur, modelling should be done by taking the change in surface topography into account and topography effect should be included into inversion. In this study impact of topography to the direct current resistivity method has been analysed. For this purpose, 2-D forward modeling algorithm has been developed by using finite element method. In this algorithm impact of topography can be incorporate into the model. Also the pseudo sections which is produced from the program can be imaged with topography. By using this algorithm response of models under different surface topography has been analysed and compared with the straight topography of same models

  3. Two-dimensional simulation of intermediate-sized bubbles in low viscous liquids using counter diffusion lattice Boltzmann method

    Energy Technology Data Exchange (ETDEWEB)

    Ryu, Seungyeob, E-mail: syryu@kaeri.re.kr [Korea Atomic Energy Research Institute (KAERI), 1045 Daeduk-daero, Yuseong-gu, Daejeon 305-353 (Korea, Republic of); Kim, Youngin; Kang, Hanok; Kim, Keung Koo [Korea Atomic Energy Research Institute (KAERI), 1045 Daeduk-daero, Yuseong-gu, Daejeon 305-353 (Korea, Republic of); Ko, Sungho, E-mail: sunghoko@cnu.ac.kr [Department of Mechanical Design Engineering, Chungnam National University, 220 Gung-dong, Yuseong-gu, Daejeon 305-764 (Korea, Republic of)

    2016-08-15

    Highlights: • We directly simulate intermediate-sized bubbles in low viscous liquids. • The path instability and shape oscillation can be successfully simulated. • The motion of a pair bubble and bubble swarm is presented. • Bubbles with high-Reynolds-number can be simulated with under-resolved grids. • The counter diffusion multiphase method is feasible for the direct simulation of bubbly flows. - Abstract: The counter diffusion lattice Boltzmann method (LBM) is used to simulate intermediate-sized bubbles in low viscous liquids. Bubbles at high Reynolds numbers ranging from hundreds to thousands are simulated successfully, which cannot be done for the existing LBM versions. The characteristics of the path instability of two rising bubbles are studied for a wide range of Eotvos and Morton numbers. Finally, the study presented how bubble swarms move within the flow and how the flow surrounding the bubbles is affected by the bubble motions.

  4. A method of calorimetric detection of two-dimensional atomic hydrogen using an induced two-body exchange recombination

    International Nuclear Information System (INIS)

    Frolov, A.V.; Safonov, A.I.; Vasilyev, S.A.; Lukashevich, I.I.

    1994-01-01

    We propose a novel method to detect hydrogen atoms in the pure hyperfine state b at the small dense spot of the sample cell surface by injecting in pulses small controlled amounts of atoms in the reactive mixed state a into the cell volume. The total recombination rate inferred from a carbon bolometer overheating will display pronounced peaks due to two-body ab recombination. The relaxation rate of these peaks to the original value of the bolometer signal will be proportional to b-atoms' density at the spot. This method can be applied to measure the surface density of polarized H in the experiments with the field compression and with the cold spot as well. 14 refs., 4 figs

  5. Finite element method analysis of band gap and transmission of two-dimensional metallic photonic crystals at terahertz frequencies.

    Science.gov (United States)

    Degirmenci, Elif; Landais, Pascal

    2013-10-20

    Photonic band gap and transmission characteristics of 2D metallic photonic crystals at THz frequencies have been investigated using finite element method (FEM). Photonic crystals composed of metallic rods in air, in square and triangular lattice arrangements, are considered for transverse electric and transverse magnetic polarizations. The modes and band gap characteristics of metallic photonic crystal structure are investigated by solving the eigenvalue problem over a unit cell of the lattice using periodic boundary conditions. A photonic band gap diagram of dielectric photonic crystal in square lattice array is also considered and compared with well-known plane wave expansion results verifying our FEM approach. The photonic band gap designs for both dielectric and metallic photonic crystals are consistent with previous studies obtained by different methods. Perfect match is obtained between photonic band gap diagrams and transmission spectra of corresponding lattice structure.

  6. A two-dimensional finite element method to calculate the AC loss in superconducting cables, wires and coated conductors

    Energy Technology Data Exchange (ETDEWEB)

    Hong, Z; Jiang, Y; Pei, R; Coombs, T A [Electronic, Power and Energy Conversion Group, Engineering Department, University of Cambridge, CB2 1PZ (United Kingdom); Ye, L [Department of Electrical Power Engineering, CAU, P. O. Box 210, Beijing 100083 (China); Campbell, A M [Interdisciplinary Research Centre in Superconductivity, University of Cambridge, CB3 0HE (United Kingdom)], E-mail: Zh223@cam.ac.uk

    2008-02-15

    In order to utilize HTS conductors in AC electrical devices, it is very important to be able to understand the characteristics of HTS materials in the AC electromagnetic conditions and give an accurate estimate of the AC loss. A numerical method is proposed in this paper to estimate the AC loss in superconducting conductors including MgB{sub 2} wires and YBCO coated conductors. This method is based on solving a set of partial differential equations in which the magnetic field is used as the state variable to get the current and electric field distributions in the cross sections of the conductors and hence the AC loss can be calculated. This method is used to model a single-element and a multi-element MgB{sub 2} wires. The results demonstrate that the multi-element MgB{sub 2} wire has a lower AC loss than a single-element one when carrying the same current. The model is also used to simulate YBCO coated conductors by simplifying the superconducting thin tape into a one-dimensional region where the thickness of the coated conductor can be ignored. The results show a good agreement with the measurement.

  7. Construction of two-dimensional quantum chromodynamics

    Energy Technology Data Exchange (ETDEWEB)

    Klimek, S.; Kondracki, W.

    1987-12-01

    We present a sketch of the construction of the functional measure for the SU(2) quantum chromodynamics with one generation of fermions in two-dimensional space-time. The method is based on a detailed analysis of Wilson loops.

  8. A closed-form solution for the two-dimensional transport equation by the LTSN nodal method in the range of Compton Effect

    International Nuclear Information System (INIS)

    Rodriguez, Barbara D.A.; Tullio de Vilhena, Marco; Hoff, Gabriela

    2008-01-01

    In this paper we report a two-dimensional LTS N nodal solution for homogeneous and heterogeneous rectangular domains, assuming the Klein-Nishina scattering kernel and multigroup model. The main idea relies on the solution of the two one-dimensional S N equations resulting from transverse integration of the S N equations in the rectangular domain by the LTS N nodal method, considering the leakage angular fluxes approximated by exponential, which allow us to determine a closed-form solution for the photons transport equation. The angular flux and the parameters of the medium are used for the calculation of the absorbed energy in rectangular domains with different dimensions and compositions. The incoming photons will be tracked until their whole energy is deposited and/or they leave the domain of interest. In this study, the absorbed energy by Compton Effect will be considered. The remaining effects will not be taken into account. We present numerical simulations and comparisons with results obtained by using Geant4 (version 9.1) program which applies the Monte Carlo's technique to low energy libraries for a two-dimensional problem assuming the Klein-Nishina scattering kernel. (authors)

  9. The Influence Of Temperature And Pressure On AP600 Pressure Vessel Analysis By Two Dimensional Finite Element Method

    International Nuclear Information System (INIS)

    Utaya

    1996-01-01

    Pressure vessel is an important part of nuclear power plan, and its function is as pressure boundary of cooling water and reactor core. The pressure vessel wall will get pressure and thermal stress. The pressure and thermal stress analysis at the simplified AP600 wall was done. The analysis is carried out by finite method, and then solved by computer. The analysis result show, that the pressure will give the maximum stress at the inner wall (1837 kg/cm 2 ) and decreased to the outer wall (1685 kg/cm 2 ). The temperature will decreased the stress at the inner wall (1769 kg/cm 2 ) and increased the stress at the outer wall (1749 kg/cm 2 )

  10. Raman Spectroscopy of Two-Dimensional Bi2TexSe3 − x Platelets Produced by Solvothermal Method

    Directory of Open Access Journals (Sweden)

    Jian Yuan

    2015-08-01

    Full Text Available In this paper, we report a facile solvothermal method to produce both binary and ternary compounds of bismuth chalcogenides in the form of Bi2TexSe3 − x. The crystal morphology in terms of geometry and thickness as well as the stoichiometric ratio can be well controlled, which offers the opportunities to systematically investigate the relationship between microstructure and phonon scattering by Raman spectroscopy. Raman spectra of four compounds, i.e., Bi2Se3, Bi2Se2Te, Bi2SeTe2 and Bi2Te3, were collected at four different excitation photon energies (2.54, 2.41, 1.96, and 1.58 eV. It is found that the vibrational modes are shifted to higher frequency with more Se incorporation towards the replacement of Te. The dependence of Raman vibrational modes on excitation photon energy was investigated. As the excitation photon energy increases, three Raman vibrational modes (A1g1, Eg2 and A1g2 of the as-produced compounds move to low frequency. Three Infrared-active (IR-active modes were observed in thin topological insulators (TIs crystals.

  11. Application of a method for comparing one-dimensional and two-dimensional models of a ground-water flow system

    International Nuclear Information System (INIS)

    Naymik, T.G.

    1978-01-01

    To evaluate the inability of a one-dimensional ground-water model to interact continuously with surrounding hydraulic head gradients, simulations using one-dimensional and two-dimensional ground-water flow models were compared. This approach used two types of models: flow-conserving one-and-two dimensional models, and one-dimensional and two-dimensional models designed to yield two-dimensional solutions. The hydraulic conductivities of controlling features were varied and model comparison was based on the travel times of marker particles. The solutions within each of the two model types compare reasonably well, but a three-dimensional solution is required to quantify the comparison

  12. A novel normalization method based on principal component analysis to reduce the effect of peak overlaps in two-dimensional correlation spectroscopy

    Science.gov (United States)

    Wang, Yanwei; Gao, Wenying; Wang, Xiaogong; Yu, Zhiwu

    2008-07-01

    Two-dimensional correlation spectroscopy (2D-COS) has been widely used to separate overlapped spectroscopic bands. However, band overlap may sometimes cause misleading results in the 2D-COS spectra, especially if one peak is embedded within another peak by the overlap. In this work, we propose a new normalization method, based on principal component analysis (PCA). For each spectrum under discussion, the first principal component of PCA is simply taken as the normalization factor of the spectrum. It is demonstrated that the method works well with simulated dynamic spectra. Successful result has also been obtained from the analysis of an overlapped band in the wavenumber range 1440-1486 cm -1 for the evaporation process of a solution containing behenic acid, methanol, and chloroform.

  13. Assessing the accuracy and reliability of ultrasonographic three-dimensional parathyroid volume measurement in a patient with secondary hyperparathyroidism: a comparison with the two-dimensional conventional method

    Directory of Open Access Journals (Sweden)

    Sung-Hye You

    2017-01-01

    Full Text Available Purpose The purpose of this study was to investigate the accuracy and reliability of the semi-automated ultrasonographic volume measurement tool, virtual organ computer-aided analysis (VOCAL, for measuring the volume of parathyroid glands. Methods Volume measurements for 40 parathyroid glands were performed in patients with secondary hyperparathyroidism caused by chronic renal failure. The volume of the parathyroid glands was measured twice by experienced radiologists by two-dimensional (2D and three-dimensional (3D methods using conventional sonograms and the VOCAL with 30°angle increments before parathyroidectomy. The specimen volume was also measured postoperatively. Intraclass correlation coefficients (ICCs and the absolute percentage error were used for estimating the reproducibility and accuracy of the two different methods. Results The ICC value between two measurements of the 2D method and the 3D method was 0.956 and 0.999, respectively. The mean absolute percentage error of the 2D method and the 3D VOCAL technique was 29.56% and 5.78%, respectively. For accuracy and reliability, the plots of the 3D method showed a more compact distribution than those of the 2D method on the Bland-Altman graph. Conclusion The rotational VOCAL method for measuring the parathyroid gland is more accurate and reliable than the conventional 2D measurement. This VOCAL method could be used as a more reliable follow-up imaging modality in a patient with hyperparathyroidism.

  14. [Stress analysis of femoral stems in cementless total hip arthroplasty by two-dimensional finite element method using boundary friction layer].

    Science.gov (United States)

    Oomori, H; Imura, S; Gesso, H

    1992-04-01

    To develop stem design achieving primary fixation of stems and effective load transfer to the femur, we studied stress analysis of stems in cementless total hip arthroplasty by two-dimensional finite element method using boundary friction layer in stem-bone interface. The results of analyses of stem-bone interface stresses and von Mises stresses at the cortical bones indicated that ideal stem design features would be as follows: 1) Sufficient length, with the distal end extending beyond the isthmus region. 2) Maximum possible width, to contact the cortical bones in the isthmus region. 3) No collars but a lateral shoulder at the proximal portion. 4) A distal tip, to contact the cortical bones at the distal portion.

  15. [Stress analysis on the acetabular side of bipolar hemiarthroplasty by the two-dimensional finite element method incorporating the boundary friction layer].

    Science.gov (United States)

    Ichihashi, K; Imura, S; Oomori, H; Gesso, H

    1994-11-01

    We compared the biomechanical characteristics of bipolar and unipolar hemiarthroplasty on the proximal migration of the outer head by determining the von Mises stress distribution and acetabular (outer head) displacement with clinical assessment of hemiarthroplasty in 75 patients. This analysis used the two-dimensional finite element method, which incorporated boundary friction layers on both the inner and outer bearings of the prosthesis. Acetabular reaming increased stress within the pelvic bone and migration of the outer head. A combination of the acetabular reaming and bone transplantation increased the stress within the pelvic bone and grafted bone, and caused outer head migration. These findings were supported by clinical results. Although the bipolar endoprosthesis was biomechanically superior to the unipolar endoprosthesis, migration of the outer head still occurred. The bipolar endoprosthesis appeared to be indicated in cases of a femoral neck fracture or of avascular necrosis in the femoral head, but its use in cases of osteoarthritis in the hip required caution.

  16. Improvements of the two-dimensional FDTD method for the simulation of normal- and superconducting planar waveguides using time series analysis

    International Nuclear Information System (INIS)

    Hofschen, S.; Wolff, I.

    1996-01-01

    Time-domain simulation results of two-dimensional (2-D) planar waveguide finite-difference time-domain (FDTD) analysis are normally analyzed using Fourier transform. The introduced method of time series analysis to extract propagation and attenuation constants reduces the desired computation time drastically. Additionally, a nonequidistant discretization together with an adequate excitation technique is used to reduce the number of spatial grid points. Therefore, it is possible to reduce the number of spatial grid points. Therefore, it is possible to simulate normal- and superconducting planar waveguide structures with very thin conductors and small dimensions, as they are used in MMIC technology. The simulation results are compared with measurements and show good agreement

  17. Improvements of the two-dimensional FDTD method for the simulation of normal- and superconducting planar waveguides using time series analysis

    Energy Technology Data Exchange (ETDEWEB)

    Hofschen, S.; Wolff, I. [Gerhard Mercator Univ. of Duisburg (Germany). Dept. of Electrical Engineering

    1996-08-01

    Time-domain simulation results of two-dimensional (2-D) planar waveguide finite-difference time-domain (FDTD) analysis are normally analyzed using Fourier transform. The introduced method of time series analysis to extract propagation and attenuation constants reduces the desired computation time drastically. Additionally, a nonequidistant discretization together with an adequate excitation technique is used to reduce the number of spatial grid points. Therefore, it is possible to reduce the number of spatial grid points. Therefore, it is possible to simulate normal- and superconducting planar waveguide structures with very thin conductors and small dimensions, as they are used in MMIC technology. The simulation results are compared with measurements and show good agreement.

  18. An investigation of two-dimensional, two-phase flow of steam in a cascade of turbine blading by the time-marching method

    International Nuclear Information System (INIS)

    Teymourtash, A. R.; Mahpeykar, M. R.

    2003-01-01

    During the course of expansion in turbines, the steam at first super cools and then nucleated to become a two-phase mixture. This is an area where greater understanding can lead to improved design. This paper describes a numerical method for the solution of two-dimensional two-phase flow of steam in a cascade of turbine blading; the unsteady euler equations governing the overall behaviour of the fluid are combined with equations describing droplet behaviour and treated by Jasmine fourth order runge Kutta time marching scheme which modified to allow for two-phase effects. The theoretical surface pressure distributions, droplet radii and contours of constant wetness fraction are presented and results are discussed in the light of knowledge of actual surface pressure distributions

  19. Assessing the accuracy and reliability of ultrasonographic three-dimensional parathyroid volume measurement in a patient with secondary hyperparathyroidism: a comparison with the two-dimensional conventional method

    Energy Technology Data Exchange (ETDEWEB)

    You, Sung Hye; Son, Gyu Ri; Lee, Nam Joon [Dept. of Radiology, Korea University Anam Hospital, Seoul (Korea, Republic of); Suh, Sangil; Ryoo, In Seon; Seol, Hae Young [Dept. of Radiology, Korea University Guro Hospital, Seoul (Korea, Republic of); Lee, Young Hen; Seo, Hyung Suk [Dept. of Radiology, Korea University Ansan Hospital, Ansan (Korea, Republic of)

    2017-01-15

    The purpose of this study was to investigate the accuracy and reliability of the semi-automated ultrasonographic volume measurement tool, virtual organ computer-aided analysis (VOCAL), for measuring the volume of parathyroid glands. Volume measurements for 40 parathyroid glands were performed in patients with secondary hyperparathyroidism caused by chronic renal failure. The volume of the parathyroid glands was measured twice by experienced radiologists by two-dimensional (2D) and three-dimensional (3D) methods using conventional sonograms and the VOCAL with 30°angle increments before parathyroidectomy. The specimen volume was also measured postoperatively. Intraclass correlation coefficients (ICCs) and the absolute percentage error were used for estimating the reproducibility and accuracy of the two different methods. The ICC value between two measurements of the 2D method and the 3D method was 0.956 and 0.999, respectively. The mean absolute percentage error of the 2D method and the 3D VOCAL technique was 29.56% and 5.78%, respectively. For accuracy and reliability, the plots of the 3D method showed a more compact distribution than those of the 2D method on the Bland-Altman graph. The rotational VOCAL method for measuring the parathyroid gland is more accurate and reliable than the conventional 2D measurement. This VOCAL method could be used as a more reliable follow-up imaging modality in a patient with hyperparathyroidism.

  20. Assessing the accuracy and reliability of ultrasonographic three-dimensional parathyroid volume measurement in a patient with secondary hyperparathyroidism: a comparison with the two-dimensional conventional method

    International Nuclear Information System (INIS)

    You, Sung Hye; Son, Gyu Ri; Lee, Nam Joon; Suh, Sangil; Ryoo, In Seon; Seol, Hae Young; Lee, Young Hen; Seo, Hyung Suk

    2017-01-01

    The purpose of this study was to investigate the accuracy and reliability of the semi-automated ultrasonographic volume measurement tool, virtual organ computer-aided analysis (VOCAL), for measuring the volume of parathyroid glands. Volume measurements for 40 parathyroid glands were performed in patients with secondary hyperparathyroidism caused by chronic renal failure. The volume of the parathyroid glands was measured twice by experienced radiologists by two-dimensional (2D) and three-dimensional (3D) methods using conventional sonograms and the VOCAL with 30°angle increments before parathyroidectomy. The specimen volume was also measured postoperatively. Intraclass correlation coefficients (ICCs) and the absolute percentage error were used for estimating the reproducibility and accuracy of the two different methods. The ICC value between two measurements of the 2D method and the 3D method was 0.956 and 0.999, respectively. The mean absolute percentage error of the 2D method and the 3D VOCAL technique was 29.56% and 5.78%, respectively. For accuracy and reliability, the plots of the 3D method showed a more compact distribution than those of the 2D method on the Bland-Altman graph. The rotational VOCAL method for measuring the parathyroid gland is more accurate and reliable than the conventional 2D measurement. This VOCAL method could be used as a more reliable follow-up imaging modality in a patient with hyperparathyroidism

  1. Pentadiagonal alternating-direction-implicit finite-difference time-domain method for two-dimensional Schrödinger equation

    Science.gov (United States)

    Tay, Wei Choon; Tan, Eng Leong

    2014-07-01

    In this paper, we have proposed a pentadiagonal alternating-direction-implicit (Penta-ADI) finite-difference time-domain (FDTD) method for the two-dimensional Schrödinger equation. Through the separation of complex wave function into real and imaginary parts, a pentadiagonal system of equations for the ADI method is obtained, which results in our Penta-ADI method. The Penta-ADI method is further simplified into pentadiagonal fundamental ADI (Penta-FADI) method, which has matrix-operator-free right-hand-sides (RHS), leading to the simplest and most concise update equations. As the Penta-FADI method involves five stencils in the left-hand-sides (LHS) of the pentadiagonal update equations, special treatments that are required for the implementation of the Dirichlet's boundary conditions will be discussed. Using the Penta-FADI method, a significantly higher efficiency gain can be achieved over the conventional Tri-ADI method, which involves a tridiagonal system of equations.

  2. [Ideas and methods of two-dimensional zebrafish model combined with chromatographic techniques in high-throughput screening of active anti-osteoporosis components of traditional Chinese medicines].

    Science.gov (United States)

    Wei, Ying-Jie; Jing, Li-Jun; Zhan, Yang; Sun, E; Jia, Xiao-Bin

    2014-05-01

    To break through the restrictions of the evaluation model and the quantity of compounds by using the two-dimensional zebrafish model combined with chromatographic techniques, and establish a new method for the high-throughput screening of active anti-osteoporosis components. According to the research group-related studies and relevant foreign literatures, on the basis of the fact that the zebrafish osteoporosis model could efficiently evaluate the activity, the zebrafish metabolism model could efficiently enrich metabolites and the chromatographic techniques could efficiently separate and analyze components of traditional Chinese medicines, we proposed that the inherent combination of the three methods is expected to efficiently decode in vivo and in vitro efficacious anti-osteoporosis materials of traditional Chinese medicines. The method makes it simple and efficient in the enrichment, separation and analysis on components of traditional Chinese medicines, particularly micro-components and metabolites and the screening anti-osteoporosis activity, fully reflects that efficacious materials of traditional Chinese medicines contain original components and metabolites, with characteristic of "multi-components, multi-targets and integral effect", which provides new ideas and methods for the early and rapid discovery of active anti-osteoporosis components of traditional Chinese medicines.

  3. An Optimized Trichloroacetic Acid/Acetone Precipitation Method for Two-Dimensional Gel Electrophoresis Analysis of Qinchuan Cattle Longissimus Dorsi Muscle Containing High Proportion of Marbling.

    Science.gov (United States)

    Hao, Ruijie; Adoligbe, Camus; Jiang, Bijie; Zhao, Xianlin; Gui, Linsheng; Qu, Kaixing; Wu, Sen; Zan, Linsen

    2015-01-01

    Longissimus dorsi muscle (LD) proteomics provides a novel opportunity to reveal the molecular mechanism behind intramuscular fat deposition. Unfortunately, the vast amounts of lipids and nucleic acids in this tissue hampered LD proteomics analysis. Trichloroacetic acid (TCA)/acetone precipitation is a widely used method to remove contaminants from protein samples. However, the high speed centrifugation employed in this method produces hard precipitates, which restrict contaminant elimination and protein re-dissolution. To address the problem, the centrifugation precipitates were first grinded with a glass tissue grinder and then washed with 90% acetone (TCA/acetone-G-W) in the present study. According to our result, the treatment for solid precipitate facilitated non-protein contaminant removal and protein re-dissolution, ultimately improving two-dimensional gel electrophoresis (2-DE) analysis. Additionally, we also evaluated the effect of sample drying on 2-DE profile as well as protein yield. It was found that 30 min air-drying did not result in significant protein loss, but reduced horizontal streaking and smearing on 2-DE gel compared to 10 min. In summary, we developed an optimized TCA/acetone precipitation method for protein extraction of LD, in which the modifications improved the effectiveness of TCA/acetone method.

  4. Application of adjustment calculus in the nodeless Trefftz method for a problem of two-dimensional temperature field of the boiling liquid flowing in a minichannel

    Directory of Open Access Journals (Sweden)

    Hożejowska Sylwia

    2014-03-01

    Full Text Available The paper presents application of the nodeless Trefftz method to calculate temperature of the heating foil and the insulating glass pane during continuous flow of a refrigerant along a vertical minichannel. Numerical computations refer to an experiment in which the refrigerant (FC-72 enters under controlled pressure and temperature a rectangular minichannel. Initially its temperature is below the boiling point. During the flow it is heated by a heating foil. The thermosensitive liquid crystals allow to obtain twodimensional temperature field in the foil. Since the nodeless Trefftz method has very good performance for providing solutions to such problems, it was chosen as a numerical method to approximate two-dimensional temperature distribution in the protecting glass and the heating foil. Due to known temperature of the refrigerant it was also possible to evaluate the heat transfer coefficient at the foil-refrigerant interface. For expected improvement of the numerical results the nodeless Trefftz method was combined with adjustment calculus. Adjustment calculus allowed to smooth the measurements and to decrease the measurement errors. As in the case of the measurement errors, the error of the heat transfer coefficient decreased.

  5. A two-dimensional hybrid method for modeling seismic waves propagation in laterally-varying anisotropic media and its application to central Tibet

    Science.gov (United States)

    Zhao, L.; Wen, L.

    2009-12-01

    The shear wave splitting measurements provide important information on mantle flow, deformation and mineralogy. They are now routinely made using the method developed by Silver and Chan (1994). More and more dense regional observations also begin to reveal sharp spatial variations of seismic anisotropy which could not be explained by simplified horizontal homogeneous anisotropic structures. To better constrain the mantle anisotropy beneath those regions, we developed a two-dimensional hybrid method for simulating seismic wave propagation in laterally-varying anisotropic media [Zhao et al., 2008]. In this presentation, we apply the method to study anisotropic structures beneath central Tibet by waveform modeling the teleseismic SKS phases recorded in the International Deep Profiling of Tibet and the Himalayas project (INDEPTH) III. Using data from two events that were selected such that the stations and sources can be approximated as a two-dimensional profile, we derived an optimal model for the anisotropic structures of the upper mantle beneath the study region: a 50-70 km thick anisotropic layer with a fast direction trending N95°E beneath the Qiangtang block, a 150 km thick and 60 km wide anisotropic segment with an axis trending N95°E beneath the northernmost Lhasa block, and a ~30 km wide transition zone in between within which the fast direction trends N45°E and the depth extent of anisotropy decreases northward sharply. Synthetic waveform modeling further suggests that an anisotropic model with a horizontal symmetry axis can explain the observations better than that with a dipping symmetry, and a low velocity zone possibly underlies or mixes with the anisotropic structures in the northern portion of the region. The optimal model yields synthetic seismograms that are in good agreement with the observations in both amplitudes and relative arrival times of SKS phases. Synthetic tests also indicate that different elastic constants, source parameters and depth

  6. Analysis of Polycyclic Aromatic Hydrocarbons in Ambient Aerosols by Using One-Dimensional and Comprehensive Two-Dimensional Gas Chromatography Combined with Mass Spectrometric Method: A Comparative Study

    Directory of Open Access Journals (Sweden)

    Yun Gyong Ahn

    2018-01-01

    Full Text Available Advanced separation technology paired with mass spectrometry is an ideal method for the analysis of atmospheric samples having complex chemical compositions. Due to the huge variety of both natural and anthropogenic sources of organic compounds, simultaneous quantification and identification of organic compounds in aerosol samples represents a demanding analytical challenge. In this regard, comprehensive two-dimensional gas chromatography with time-of-flight mass spectrometry (GC×GC-TOFMS has become an effective analytical method. However, verification and validation approaches to quantify these analytes have not been critically evaluated. We compared the performance of gas chromatography with quadrupole mass spectrometry (GC-qMS and GC×GC-TOFMS for quantitative analysis of eighteen target polycyclic aromatic hydrocarbons (PAHs. The quantitative obtained results such as limits of detection (LODs, limits of quantification (LOQs, and recoveries of target PAHs were approximately equivalent based on both analytical methods. Furthermore, a larger number of analytes were consistently identified from the aerosol samples by GC×GC-TOFMS compared to GC-qMS. Our findings suggest that GC×GC-TOFMS would be widely applicable to the atmospheric and related sciences with simultaneous target and nontarget analysis in a single run.

  7. A method for the direct measurement of electronic site populations in a molecular aggregate using two-dimensional electronic-vibrational spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Lewis, Nicholas H. C.; Dong, Hui; Oliver, Thomas A. A.; Fleming, Graham R., E-mail: grfleming@lbl.gov [Department of Chemistry, University of California, Berkeley, California 94720 (United States); Physical Biosciences Division, Lawrence Berkeley National Laboratory, Berkeley, California 94720 (United States); Kavli Energy Nanosciences Institute at Berkeley, Berkeley, California 94720 (United States)

    2015-09-28

    Two dimensional electronic spectroscopy has proved to be a valuable experimental technique to reveal electronic excitation dynamics in photosynthetic pigment-protein complexes, nanoscale semiconductors, organic photovoltaic materials, and many other types of systems. It does not, however, provide direct information concerning the spatial structure and dynamics of excitons. 2D infrared spectroscopy has become a widely used tool for studying structural dynamics but is incapable of directly providing information concerning electronic excited states. 2D electronic-vibrational (2DEV) spectroscopy provides a link between these domains, directly connecting the electronic excitation with the vibrational structure of the system under study. In this work, we derive response functions for the 2DEV spectrum of a molecular dimer and propose a method by which 2DEV spectra could be used to directly measure the electronic site populations as a function of time following the initial electronic excitation. We present results from the response function simulations which show that our proposed approach is substantially valid. This method provides, to our knowledge, the first direct experimental method for measuring the electronic excited state dynamics in the spatial domain, on the molecular scale.

  8. Validation of a prefractionation method followed by two-dimensional electrophoresis – Applied to cerebrospinal fluid proteins from frontotemporal dementia patients

    Directory of Open Access Journals (Sweden)

    Sjögren Magnus

    2004-11-01

    Full Text Available Abstract Background The aim of this study was firstly, to improve and validate a cerebrospinal fluid (CSF prefractionation method followed by two-dimensional electrophoresis (2-DE and secondly, using this strategy to investigate differences between the CSF proteome of frontotemporal dementia (FTD patients and controls. From each subject three ml of CSF was prefractionated using liquid phase isoelectric focusing prior to 2-DE. Results With respect to protein recovery and purification potential, ethanol precipitation of the prefractionated CSF sample was found superior, after testing several sample preparation methods. The reproducibility of prefractionated CSF analyzed on 2-D gels was comparable to direct 2-DE analysis of CSF. The protein spots on the prefractionated 2-D gels had an increased intensity, indicating a higher protein concentration, compared to direct 2-D gels. Prefractionated 2-DE analysis of FTD and control CSF showed that 26 protein spots were changed at least two fold. Using mass spectrometry, 13 of these protein spots were identified, including retinol-binding protein, Zn-α-2-glycoprotein, proapolipoproteinA1, β-2-microglobulin, transthyretin, albumin and alloalbumin. Conclusion The results suggest that the prefractionated 2-DE method can be useful for enrichment of CSF proteins and may provide a new tool to investigate the pathology of neurodegenerative diseases. This study confirmed reduced levels of retinol-binding protein and revealed some new biomarker candidates for FTD.

  9. Two-dimensional numerical simulation of chimney fluidization in a granular medium using a combination of discrete element and lattice Boltzmann methods

    Science.gov (United States)

    Ngoma, Jeff; Philippe, Pierre; Bonelli, Stéphane; Radjaï, Farhang; Delenne, Jean-Yves

    2018-05-01

    We present here a numerical study dedicated to the fluidization of a submerged granular medium induced by a localized fluid injection. To this end, a two-dimensional (2D) model is used, coupling the lattice Boltzmann method (LBM) with the discrete element method (DEM) for a relevant description of fluid-grains interaction. An extensive investigation has been carried out to analyze the respective influences of the different parameters of our configuration, both geometrical (bed height, grain diameter, injection width) and physical (fluid viscosity, buoyancy). Compared to previous experimental works, the same qualitative features are recovered as regards the general phenomenology including transitory phase, stationary states, and hysteretic behavior. We also present quantitative findings about transient fluidization, for which several dimensionless quantities and scaling laws are proposed, and about the influence of the injection width, from localized to homogeneous fluidization. Finally, the impact of the present 2D geometry is discussed, by comparison to the real three-dimensional (3D) experiments, as well as the crucial role of the prevailing hydrodynamic regime within the expanding cavity, quantified through a cavity Reynolds number, that can presumably explain some substantial differences observed regarding upward expansion process of the fluidized zone when the fluid viscosity is changed.

  10. The simulation of a two-dimensional (2D) transport problem in a rectangular region with Lattice Boltzmann method with two-relaxation-time

    Science.gov (United States)

    Sugiyanto, S.; Hardyanto, W.; Marwoto, P.

    2018-03-01

    Transport phenomena are found in many problems in many engineering and industrial sectors. We analyzed a Lattice Boltzmann method with Two-Relaxation Time (LTRT) collision operators for simulation of pollutant moving through the medium as a two-dimensional (2D) transport problem in a rectangular region model. This model consists of a 2D rectangular region with 54 length (x), 27 width (y), and it has isotropic homogeneous medium. Initially, the concentration is zero and is distributed evenly throughout the region of interest. A concentration of 1 is maintained at 9 < y < 18, whereas the concentration of zero is maintained at 0 < y < 9 and 18 < y < 27. A specific discharge (Darcy velocity) of 1.006 is assumed. A diffusion coefficient of 0.8333 is distributed uniformly with a uniform porosity of 0.35. A computer program is written in MATLAB to compute the concentration of pollutant at any specified place and time. The program shows that LTRT solution with quadratic equilibrium distribution functions (EDFs) and relaxation time τa=1.0 are in good agreement result with other numerical solutions methods such as 3DLEWASTE (Hybrid Three-dimensional Lagrangian-Eulerian Finite Element Model of Waste Transport Through Saturated-Unsaturated Media) obtained by Yeh and 3DFEMWATER-LHS (Three-dimensional Finite Element Model of Water Flow Through Saturated-Unsaturated Media with Latin Hypercube Sampling) obtained by Hardyanto.

  11. Characterization technique for detection of atom-size crystalline defects and strains using two-dimensional fast-Fourier-transform sampling Moiré method

    Science.gov (United States)

    Kodera, Masako; Wang, Qinghua; Ri, Shien; Tsuda, Hiroshi; Yoshioka, Akira; Sugiyama, Toru; Hamamoto, Takeshi; Miyashita, Naoto

    2018-04-01

    Recently, we have developed a two-dimensional (2D) fast-Fourier-transform (FFT) sampling Moiré technique to visually and quantitatively determine the locations of minute defects in a transmission electron microscopy (TEM) image. We applied this technique for defect detection with GaN high electron mobility transistor (HEMT) devices, and successfully and clearly visualized atom-size defects in AlGaN/GaN crystalline structures. The defect density obtained in the AlGaN/GaN structures is ∼1013 counts/cm2. In addition, we have successfully confirmed that the distribution and number of defects closely depend on the process conditions. Thus, this technique is quite useful for a device development. Moreover, the strain fields in an AlGaN/GaN crystal were effectively calculated with nm-scale resolution using this method. We also demonstrated that this sampling Moiré technique is applicable to silicon devices, which have principal directions different from those of AlGaN/GaN crystals. As a result, we believe that the 2D FFT sampling Moiré method has great potential applications to the discovery of new as yet unknown phenomena occurring between the characteristics of a crystalline material and device performance.

  12. Analysis of glycoprotein-derived oligosaccharides in glycoproteins detected on two-dimensional gel by capillary electrophoresis using on-line concentration method.

    Science.gov (United States)

    Kamoda, Satoru; Nakanishi, Yasuharu; Kinoshita, Mitsuhiro; Ishikawa, Rika; Kakehi, Kazuaki

    2006-02-17

    Capillary electrophoresis (CE) is an effective tool to analyze carbohydrate mixture derived from glycoproteins with high resolution. However, CE has a disadvantage that a few nanoliters of a sample solution are injected to a narrow capillary. Therefore, we have to prepare a sample solution of high concentration for CE analysis. In the present study, we applied head column field-amplified sample stacking method to the analysis of N-linked oligosaccharides derived from glycoprotein separated by two-dimensional gel electrophoresis. Model studies demonstrated that we achieved 60-360 times concentration effect on the analysis of carbohydrate chains labeled with 3-aminobenzoic acid (3-AA). The method was applied to the analysis of N-linked oligosaccharides from glycoproteins separated and detected on PAGE gel. Heterogeneity of alpha1-acid glycoprotein (AGP), i.e. glycoforms, was examined by 2D-PAGE and N-linked oligosaccharides were released by in-gel digestion with PNGase F. The released oligosaccharides were derivatized with 3-AA and analyzed by CE. The results showed that glycoforms having lower pI values contained a larger amount of tetra- and tri-antennary oligosaccharides. In contrast, glycoforms having higher pI values contained bi-antennary oligosaccharides abundantly. The result clearly indicated that the spot of a glycoprotein glycoform detected by Coomassie brilliant blue staining on 2D-PAGE gel is sufficient for quantitative profiling of oligosaccharides.

  13. Tritiation methods and tritium NMR spectroscopy

    International Nuclear Information System (INIS)

    Jaiswal, D.K.; Morimoto, H.; Salijoughian, M.; Williams, P.G.

    1991-09-01

    We have used a simple process for the production of highly tritiated water and characterized the product species by 1 H and 3 H NMR spectroscopy. The water is readily manipulated and used in subsequent reactions either as T 2 O, CH 3 COOT or CF 3 COOT. Development of tritiated diimide has progressed to the point where cis-hydrogenated products at 1-20 Ci/mmole S.A. are possible. Tri-n-butyl tin tritide has been produced at >95% tritium content and well characterized by multinuclear NMR techniques. 27 refs., 3 figs

  14. Preliminary Study on J-Resolved NMR Method Usability for Toxic Kidney's Injury Assessment.

    Science.gov (United States)

    Doskocz, Marek; Marchewka, Zofia; Jeż, Magdalena; Passowicz-Muszyńska, Ewa; Długosz, Anna

    2015-01-01

    Nowadays, the Nuclear Magnetic Resonance (NMR) techniques are tested for metabolomic urine profile in order to detect early damage of kidney. The purpose of this investigation was the initial assessment of two-dimensional J-resolved NMR urine spectra analysis usability for early kidney injuries detection. The amino acids (AA) and acids profile change after the exposure to nephrotoxic agent (the cisplatin infusion) was examined. The material was the urine of patients with non-small-cell lung cancer, treated with cisplatin in Pulmonology and Lung Cancers Clinic in Wrocław. The urine of healthy volunteers was also examined. The identification of metabolites in urine was based on two-dimensional JRES signals in spectra, described in Human Metabolites Database (HMD). The molar concentration of metabolites was calculated from the volume under the signals. The analysis was focused on amino acids and organic acids (lactid acid and pyruvic acid) profiles. Any specific amino acids were identified after cisplatin infusion in comparison to the state before infusion. However, the differences in concentration were observed over 2-fold increase in valine, isoleucine and leucine, over 3-fold in alanine. Also, the concentration of pyruvic and lactic acids increased significantly (p≤0.05, p≤0.01). There were no specific amino acids identified in response to the infusion of cisplatin; however, some changes in the concentrations of amino acids and other small molecules were found. The analysis of two-dimensional JRES spectra showed an increase of alanine, leucine, isoleucine and valine concentration after the application of cisplatin. It seems that it is worth developing the JRES method based on special computer program.

  15. Analyzing the photonic band gaps in two-dimensional plasma photonic crystals with fractal Sierpinski gasket structure based on the Monte Carlo method

    Energy Technology Data Exchange (ETDEWEB)

    Zhang, Hai-Feng, E-mail: hanlor@163.com [College of Optoelectronic Engineering, Nanjing University of Posts and Telecommunications, Nanjing, 210023 ,China (China); Key Laboratory of Radar Imaging and Microwave Photonics (Nanjing Univ. Aeronaut. Astronaut.), Ministry of Education, Nanjing University of Aeronautics and Astronautics, Nanjing, 210016 (China); Liu, Shao-Bin [Key Laboratory of Radar Imaging and Microwave Photonics (Nanjing Univ. Aeronaut. Astronaut.), Ministry of Education, Nanjing University of Aeronautics and Astronautics, Nanjing, 210016 (China)

    2016-08-15

    In this paper, the properties of photonic band gaps (PBGs) in two types of two-dimensional plasma-dielectric photonic crystals (2D PPCs) under a transverse-magnetic (TM) wave are theoretically investigated by a modified plane wave expansion (PWE) method where Monte Carlo method is introduced. The proposed PWE method can be used to calculate the band structures of 2D PPCs which possess arbitrary-shaped filler and any lattice. The efficiency and convergence of the present method are discussed by a numerical example. The configuration of 2D PPCs is the square lattices with fractal Sierpinski gasket structure whose constituents are homogeneous and isotropic. The type-1 PPCs is filled with the dielectric cylinders in the plasma background, while its complementary structure is called type-2 PPCs, in which plasma cylinders behave as the fillers in the dielectric background. The calculated results reveal that the enough accuracy and good convergence can be obtained, if the number of random sampling points of Monte Carlo method is large enough. The band structures of two types of PPCs with different fractal orders of Sierpinski gasket structure also are theoretically computed for a comparison. It is demonstrate that the PBGs in higher frequency region are more easily produced in the type-1 PPCs rather than in the type-2 PPCs. Sierpinski gasket structure introduced in the 2D PPCs leads to a larger cutoff frequency, enhances and induces more PBGs in high frequency region. The effects of configurational parameters of two types of PPCs on the PBGs are also investigated in detail. The results show that the PBGs of the PPCs can be easily manipulated by tuning those parameters. The present type-1 PPCs are more suitable to design the tunable compacted devices.

  16. Method translation and full metadata transfer from thermal to differential flow modulated comprehensive two dimensional gas chromatography: Profiling of suspected fragrance allergens.

    Science.gov (United States)

    Cordero, Chiara; Rubiolo, Patrizia; Reichenbach, Stephen E; Carretta, Andrea; Cobelli, Luigi; Giardina, Matthew; Bicchi, Carlo

    2017-01-13

    The possibility to transfer methods from thermal to differential-flow modulated comprehensive two-dimensional gas chromatographic (GC×GC) platforms is of high interest to improve GC×GC flexibility and increase the compatibility of results from different platforms. The principles of method translation are here applied to an original method, developed for a loop-type thermal modulated GC×GC-MS/FID system, suitable for quali-quantitative screening of suspected fragrance allergens. The analysis conditions were translated to a reverse-injection differential flow modulated platform (GC×2GC-MS/FID) with a dual-parallel secondary column and dual detection. The experimental results, for a model mixture of suspected volatile allergens and for raw fragrance mixtures of different composition, confirmed the feasibility of translating methods by preserving 1 D elution order, as well as the relative alignment of resulting 2D peak patterns. A correct translation produced several benefits including an effective transfer of metadata (compound names, MS fragmentation pattern, response factors) by automatic template transformation and matching from the original/reference method to its translated counterpart. The correct translation provided: (a) 2D pattern repeatability, (b) MS fragmentation pattern reliability for identity confirmation, and (c) comparable response factors and quantitation accuracy within a concentration range of three orders of magnitude. The adoption of a narrow bore (i.e. 0.1mm d c ) first-dimension column to operate under close-to-optimal conditions with the differential-flow modulation GC×GC platform was also advantageous in halving the total analysis under the translated conditions. Copyright © 2016 Elsevier B.V. All rights reserved.

  17. An entropy stable nodal discontinuous Galerkin method for the two dimensional shallow water equations on unstructured curvilinear meshes with discontinuous bathymetry

    Energy Technology Data Exchange (ETDEWEB)

    Wintermeyer, Niklas [Mathematisches Institut, Universität zu Köln, Weyertal 86-90, 50931 Köln (Germany); Winters, Andrew R., E-mail: awinters@math.uni-koeln.de [Mathematisches Institut, Universität zu Köln, Weyertal 86-90, 50931 Köln (Germany); Gassner, Gregor J. [Mathematisches Institut, Universität zu Köln, Weyertal 86-90, 50931 Köln (Germany); Kopriva, David A. [Department of Mathematics, The Florida State University, Tallahassee, FL 32306 (United States)

    2017-07-01

    We design an arbitrary high-order accurate nodal discontinuous Galerkin spectral element approximation for the non-linear two dimensional shallow water equations with non-constant, possibly discontinuous, bathymetry on unstructured, possibly curved, quadrilateral meshes. The scheme is derived from an equivalent flux differencing formulation of the split form of the equations. We prove that this discretization exactly preserves the local mass and momentum. Furthermore, combined with a special numerical interface flux function, the method exactly preserves the mathematical entropy, which is the total energy for the shallow water equations. By adding a specific form of interface dissipation to the baseline entropy conserving scheme we create a provably entropy stable scheme. That is, the numerical scheme discretely satisfies the second law of thermodynamics. Finally, with a particular discretization of the bathymetry source term we prove that the numerical approximation is well-balanced. We provide numerical examples that verify the theoretical findings and furthermore provide an application of the scheme for a partial break of a curved dam test problem.

  18. A closed-form solution for the two-dimensional transport equation by the LTS{sub N} nodal method in the energy range of Compton effect

    Energy Technology Data Exchange (ETDEWEB)

    Rodriguez, B.D.A., E-mail: barbararodriguez@furg.b [Universidade Federal do Rio Grande, Instituto de Matematica, Estatistica e Fisica, Rio Grande, RS (Brazil); Vilhena, M.T., E-mail: vilhena@mat.ufrgs.b [Universidade Federal do Rio Grande do Sul, Departamento de Matematica Pura e Aplicada, Porto Alegre, RS (Brazil); Hoff, G., E-mail: hoff@pucrs.b [Pontificia Universidade Catolica do Rio Grande do Sul, Faculdade de Fisica, Porto Alegre, RS (Brazil); Bodmann, B.E.J., E-mail: bardo.bodmann@ufrgs.b [Universidade Federal do Rio Grande do Sul, Departamento de Matematica Pura e Aplicada, Porto Alegre, RS (Brazil)

    2011-01-15

    In the present work we report on a closed-form solution for the two-dimensional Compton transport equation by the LTS{sub N} nodal method in the energy range of Compton effect. The solution is determined using the LTS{sub N} nodal approach for homogeneous and heterogeneous rectangular domains, assuming the Klein-Nishina scattering kernel and a multi-group model. The solution is obtained by two one-dimensional S{sub N} equation systems resulting from integrating out one of the orthogonal variables of the S{sub N} equations in the rectangular domain. The leakage angular fluxes are approximated by exponential forms, which allows to determine a closed-form solution for the photons transport equation. The angular flux and the parameters of the medium are used for the calculation of the absorbed energy in rectangular domains with different dimensions and compositions. In this study, only the absorbed energy by Compton effect is considered. We present numerical simulations and comparisons with results obtained by using the simulation platform GEANT4 (version 9.1) with its low energy libraries.

  19. Quantum confined Stark effects of single dopant in polarized hemispherical quantum dot: Two-dimensional finite difference approach and Ritz-Hassé variation method

    Science.gov (United States)

    El Harouny, El Hassan; Nakra Mohajer, Soukaina; Ibral, Asmaa; El Khamkhami, Jamal; Assaid, El Mahdi

    2018-05-01

    Eigenvalues equation of hydrogen-like off-center single donor impurity confined in polarized homogeneous hemispherical quantum dot deposited on a wetting layer, capped by insulated matrix and submitted to external uniform electric field is solved in the framework of the effective mass approximation. An infinitely deep potential is used to describe effects of quantum confinement due to conduction band offsets at surfaces where quantum dot and surrounding materials meet. Single donor ground state total and binding energies in presence of electric field are determined via two-dimensional finite difference approach and Ritz-Hassé variation principle. For the latter method, attractive coulomb correlation between electron and ionized single donor is taken into account in the expression of trial wave function. It appears that off-center single dopant binding energy, spatial extension and radial probability density are strongly dependent on hemisphere radius and single dopant position inside quantum dot. Influence of a uniform electric field is also investigated. It shows that Stark effect appears even for very small size dots and that single dopant energy shift is more significant when the single donor is near hemispherical surface.

  20. Two-trace two-dimensional (2T2D) correlation spectroscopy - A method for extracting useful information from a pair of spectra

    Science.gov (United States)

    Noda, Isao

    2018-05-01

    Two-trace two-dimensional (2T2D) correlation spectroscopy, where a pair of spectra are compared as 2D maps by a form of cross correlation analysis, is introduced. In 2T2D, spectral intensity changes of bands arising from the same origin, which cannot change independently of each other, are synchronized. Meanwhile, those arising from different sources may and often do change asynchronously. By taking advantage of this property, one can distinguish and classify a number of contributing bands present in the original pair of spectra in a systematic manner. Highly overlapped neighboring bands originating from different sources can also be identified by the presence of asynchronous cross peaks, thus enhancing the apparent spectral resolution. Computational procedure to obtain 2T2D correlation spectra and their interpretation method, as well as an illustrative description of the basic concept in the vector phase space, are provided. 2T2D spectra may also be viewed as individual building blocks of the generalized 2D correlation spectra derived from a series of more than two spectral data. Some promising application potentials of 2T2D correlation and integration with established advanced 2D correlation techniques are discussed.

  1. Comparison of comprehensive two-dimensional gas chromatography coupled with sulfur-chemiluminescence detector to standard methods for speciation of sulfur-containing compounds in middle distillates.

    Science.gov (United States)

    Ruiz-Guerrero, Rosario; Vendeuvre, Colombe; Thiébaut, Didier; Bertoncini, Fabrice; Espinat, Didier

    2006-10-01

    The monitoring of total sulfur content and speciation of individual sulfur-containing compounds in middle distillates is required for efficient catalyst selection and for a better understanding of the kinetics of the reactions involved in hydrotreament processes. Owing to higher resolution power and enhanced sensitivity, comprehensive two-dimensional gas chromatography (GCxGC) hyphenated to sulfur chemiluminescence detection (SCD) has recently evolved as a powerful tool for improving characterization and identification of sulfur compounds. The aim of this paper is to compare quantitatively GCxGC-SCD and various other methods commonly employed in the petroleum industry, such as X-ray fluorescence, conventional GC-SCD, and high-resolution mass spectrometry, for total sulfur content determination and speciation analysis. Different samples of middle distillates have been analyzed to demonstrate the high potential and important advantages of GCxGC-SCD for innovative and quantitative analysis of sulfur-containing compounds. More accurate and detailed results for benzothiophenes and dibenzothiophenes are presented, showing that GCxGC-SCD should become, in the future, an essential tool for sulfur speciation analysis.

  2. Non-contrast-enhanced hepatic MR angiography: Do two-dimensional parallel imaging and short tau inversion recovery methods shorten acquisition time without image quality deterioration?

    Energy Technology Data Exchange (ETDEWEB)

    Shimada, Kotaro, E-mail: kotaro@kuhp.kyoto-u.ac.jp [Department of Diagnostic Imaging and Nuclear Medicine, Kyoto University, Graduate School of Medicine, 54 Kawahara-cho, Shogoin, Sakyo-ku, Kyoto 606-8507 (Japan); Isoda, Hiroyoshi, E-mail: sayuki@kuhp.kyoto-u.ac.jp [Department of Diagnostic Imaging and Nuclear Medicine, Kyoto University, Graduate School of Medicine, 54 Kawahara-cho, Shogoin, Sakyo-ku, Kyoto 606-8507 (Japan); Okada, Tomohisa, E-mail: tomokada@kuhp.kyoto-u.ac.jp [Department of Diagnostic Imaging and Nuclear Medicine, Kyoto University, Graduate School of Medicine, 54 Kawahara-cho, Shogoin, Sakyo-ku, Kyoto 606-8507 (Japan); Kamae, Toshikazu, E-mail: toshi13@kuhp.kyoto-u.ac.jp [Department of Diagnostic Imaging and Nuclear Medicine, Kyoto University, Graduate School of Medicine, 54 Kawahara-cho, Shogoin, Sakyo-ku, Kyoto 606-8507 (Japan); Arizono, Shigeki, E-mail: arizono@kuhp.kyoto-u.ac.jp [Department of Diagnostic Imaging and Nuclear Medicine, Kyoto University, Graduate School of Medicine, 54 Kawahara-cho, Shogoin, Sakyo-ku, Kyoto 606-8507 (Japan); Hirokawa, Yuusuke, E-mail: yuusuke@kuhp.kyoto-u.ac.jp [Department of Diagnostic Imaging and Nuclear Medicine, Kyoto University, Graduate School of Medicine, 54 Kawahara-cho, Shogoin, Sakyo-ku, Kyoto 606-8507 (Japan); Shibata, Toshiya, E-mail: ksj@kuhp.kyoto-u.ac.jp [Department of Diagnostic Imaging and Nuclear Medicine, Kyoto University, Graduate School of Medicine, 54 Kawahara-cho, Shogoin, Sakyo-ku, Kyoto 606-8507 (Japan); Togashi, Kaori, E-mail: ktogashi@kuhp.kyoto-u.ac.jp [Department of Diagnostic Imaging and Nuclear Medicine, Kyoto University, Graduate School of Medicine, 54 Kawahara-cho, Shogoin, Sakyo-ku, Kyoto 606-8507 (Japan)

    2011-01-15

    Objective: To study whether shortening the acquisition time for selective hepatic artery visualization is feasible without image quality deterioration by adopting two-dimensional (2D) parallel imaging (PI) and short tau inversion recovery (STIR) methods. Materials and methods: Twenty-four healthy volunteers were enrolled. 3D true steady-state free-precession imaging with a time spatial labeling inversion pulse was conducted using 1D or 2D-PI and fat suppression by chemical shift selective (CHESS) or STIR methods. Three groups of different scan conditions were assigned and compared: group A (1D-PI factor 2 and CHESS), group B (2D-PI factor 2 x 2 and CHESS), and group C (2D-PI factor 2 x 2 and STIR). The artery-to-liver contrast was quantified, and the quality of artery visualization and overall image quality were scored. Results: The mean scan time was 9.5 {+-} 1.0 min (mean {+-} standard deviation), 5.9 {+-} 0.8 min, and 5.8 {+-} 0.5 min in groups A, B, and C, respectively, and was significantly shorter in groups B and C than in group A (P < 0.01). The artery-to-liver contrast was significantly better in group C than in groups A and B (P < 0.01). The scores for artery visualization and overall image quality were worse in group B than in groups A and C. The differences were statistically significant (P < 0.05) regarding the arterial branches of segments 4 and 8. Between group A and group C, which had similar scores, there were no statistically significant differences. Conclusion: Shortening the acquisition time for selective hepatic artery visualization was feasible without deterioration of the image quality by the combination of 2D-PI and STIR methods. It will facilitate using non-contrast-enhanced MRA in clinical practice.

  3. Non-contrast-enhanced hepatic MR angiography: Do two-dimensional parallel imaging and short tau inversion recovery methods shorten acquisition time without image quality deterioration?

    International Nuclear Information System (INIS)

    Shimada, Kotaro; Isoda, Hiroyoshi; Okada, Tomohisa; Kamae, Toshikazu; Arizono, Shigeki; Hirokawa, Yuusuke; Shibata, Toshiya; Togashi, Kaori

    2011-01-01

    Objective: To study whether shortening the acquisition time for selective hepatic artery visualization is feasible without image quality deterioration by adopting two-dimensional (2D) parallel imaging (PI) and short tau inversion recovery (STIR) methods. Materials and methods: Twenty-four healthy volunteers were enrolled. 3D true steady-state free-precession imaging with a time spatial labeling inversion pulse was conducted using 1D or 2D-PI and fat suppression by chemical shift selective (CHESS) or STIR methods. Three groups of different scan conditions were assigned and compared: group A (1D-PI factor 2 and CHESS), group B (2D-PI factor 2 x 2 and CHESS), and group C (2D-PI factor 2 x 2 and STIR). The artery-to-liver contrast was quantified, and the quality of artery visualization and overall image quality were scored. Results: The mean scan time was 9.5 ± 1.0 min (mean ± standard deviation), 5.9 ± 0.8 min, and 5.8 ± 0.5 min in groups A, B, and C, respectively, and was significantly shorter in groups B and C than in group A (P < 0.01). The artery-to-liver contrast was significantly better in group C than in groups A and B (P < 0.01). The scores for artery visualization and overall image quality were worse in group B than in groups A and C. The differences were statistically significant (P < 0.05) regarding the arterial branches of segments 4 and 8. Between group A and group C, which had similar scores, there were no statistically significant differences. Conclusion: Shortening the acquisition time for selective hepatic artery visualization was feasible without deterioration of the image quality by the combination of 2D-PI and STIR methods. It will facilitate using non-contrast-enhanced MRA in clinical practice.

  4. 2D NMR studies of biomolecules

    International Nuclear Information System (INIS)

    Lamerichs, R.M.J.N.

    1989-01-01

    The work described in this thesis comprises two related subjects. The first part describes methods to derive high-resolution structures of proteins in solution using two-dimensional (2-D) NMR. The second part describes 2-D NMR studies on the interaction between proteins and DNA. (author). 261 refs.; 52 figs.; 23 tabs

  5. A two-dimensional method of manufactured solutions benchmark suite based on variations of Larsen's benchmark with escalating order of smoothness of the exact solution

    International Nuclear Information System (INIS)

    Schunert, Sebastian; Azmy, Yousry Y.

    2011-01-01

    The quantification of the discretization error associated with the spatial discretization of the Discrete Ordinate(DO) equations in multidimensional Cartesian geometries is the central problem in error estimation of spatial discretization schemes for transport theory as well as computer code verification. Traditionally ne mesh solutions are employed as reference, because analytical solutions only exist in the absence of scattering. This approach, however, is inadequate when the discretization error associated with the reference solution is not small compared to the discretization error associated with the mesh under scrutiny. Typically this situation occurs if the mesh of interest is only a couple of refinement levels away from the reference solution or if the order of accuracy of the numerical method (and hence the reference as well) is lower than expected. In this work we present a Method of Manufactured Solutions (MMS) benchmark suite with variable order of smoothness of the underlying exact solution for two-dimensional Cartesian geometries which provides analytical solutions aver- aged over arbitrary orthogonal meshes for scattering and non-scattering media. It should be emphasized that the developed MMS benchmark suite rst eliminates the aforementioned limitation of ne mesh reference solutions since it secures knowledge of the underlying true solution and second that it allows for an arbitrary order of smoothness of the underlying ex- act solution. The latter is of importance because even for smooth parameters and boundary conditions the DO equations can feature exact solution with limited smoothness. Moreover, the degree of smoothness is crucial for both the order of accuracy and the magnitude of the discretization error for any spatial discretization scheme. (author)

  6. Two-dimensional x-ray diffraction

    CERN Document Server

    He, Bob B

    2009-01-01

    Written by one of the pioneers of 2D X-Ray Diffraction, this useful guide covers the fundamentals, experimental methods and applications of two-dimensional x-ray diffraction, including geometry convention, x-ray source and optics, two-dimensional detectors, diffraction data interpretation, and configurations for various applications, such as phase identification, texture, stress, microstructure analysis, crystallinity, thin film analysis and combinatorial screening. Experimental examples in materials research, pharmaceuticals, and forensics are also given. This presents a key resource to resea

  7. Study of the two-dimensional Hubbard model at half-filling through constructive methods; Etude du modele de Hubbard bidimensionnel a demi remplissage par des methodes constructives

    Energy Technology Data Exchange (ETDEWEB)

    Afchain, St

    2005-02-15

    The Hubbard model is the simplest model to describe the behaviour of fermions on a network, it takes into account only fermion scattering and only interactions with other fermions located on the same site. Half-filling means that the total number of fermions is equal to half the number of sites. In the first chapter we show how we can pass trough successive approximations from a very general Hamiltonian to the Hubbard Hamiltonian. The second chapter is dedicated to the passage from the Hamiltonian formalism to the Grassmanian functional formalism. The main idea is to show that the correlation functions of the Hamiltonian approach can be described through fermionic functional integrals which implies the possibility of speaking of the model in terms of field theory. The chapter 3 deals with the main constructive techniques that allow the strict and consistent construction of models inside the frame of field theory. We show by proving the violation of a condition concerning self-energy, that the two-dimensional Hubbard model at half-filling has not the behaviour of a Fermi liquid in the Landau's interpretation. (A.C.)

  8. 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.

  9. Quasi-two-dimensional holography

    International Nuclear Information System (INIS)

    Kutzner, J.; Erhard, A.; Wuestenberg, H.; Zimpfer, J.

    1980-01-01

    The acoustical holography with numerical reconstruction by area scanning is memory- and time-intensive. With the experiences by the linear holography we tried to derive a scanning for the evaluating of the two-dimensional flaw-sizes. In most practical cases it is sufficient to determine the exact depth extension of a flaw, whereas the accuracy of the length extension is less critical. For this reason the applicability of the so-called quasi-two-dimensional holography is appropriate. The used sound field given by special probes is divergent in the inclined plane and light focussed in the perpendicular plane using cylindrical lenses. (orig.) [de

  10. Development and validation of a comprehensive two-dimensional gas chromatography-mass spectrometry method for the analysis of phytosterol oxidation products in human plasma

    NARCIS (Netherlands)

    Menéndez-Carreño, M.; Steenbergen, H.; Janssen, H.-G.

    2012-01-01

    Phytosterol oxidation products (POPs) have been suggested to exert adverse biological effects similar to, although less severe than, their cholesterol counterparts. For that reason, their analysis in human plasma is highly relevant. Comprehensive two-dimensional gas chromatography (GC×GC) coupled

  11. Fast comprehensive two-dimensional gas chromatography method for fatty acid methyl ester separation and quantification using dual ionic liquid columns.

    Science.gov (United States)

    Nosheen, Asia; Mitrevski, Blagoj; Bano, Asghari; Marriott, Philip J

    2013-10-18

    Safflower oil is a complex mixture of C18 saturated and unsaturated fatty acids amongst other fatty acids, and achieving separation between these similar structure components using one dimensional gas chromatography (GC) may be difficult. This investigation aims to obtain improved separation of fatty acid methyl esters in safflower oil, and their quantification using comprehensive two-dimensional GC (GC×GC). Here, GC×GC separation is accomplished by the coupling of two ionic liquid (IL) column phases: the combination of SLB-IL111 with IL59 column phases was finally selected since it provided excellent separation of a FAME standard mixture, as well as fatty acids in safflower and linseed oil, compared to other tested column sets. Safflower oil FAME were well separated in a short run of 16min. FAME validation was demonstrated by method reproducibility, linearity over a range up to 500mgL(-1), and limits of detection which ranged from 1.9mgL(-1) to 5.2mgL(-1) at a split ratio of 20:1. Quantification was carried out using two dilution levels of 200-fold for major components and 20-fold for trace components. The fatty acids C15:0 and C17:0 were not reported previously in safflower oil. The SLB-IL111/IL59 column set proved to be an effective and novel configuration for separation and quantification of vegetable and animal oil fatty acids. Copyright © 2013 Elsevier B.V. All rights reserved.

  12. Marginal microleakage of cervical composite resin restorations bonded using etch-and-rinse and self-etch adhesives: two dimensional vs. three dimensional methods

    Directory of Open Access Journals (Sweden)

    Maryam Khoroushi

    2016-05-01

    Full Text Available Objectives This study was evaluated the marginal microleakage of two different adhesive systems before and after aging with two different dye penetration techniques. Materials and Methods Class V cavities were prepared on the buccal and lingual surfaces of 48 human molars. Clearfil SE Bond and Single Bond (self-etching and etch-and-rinse systems, respectively were applied, each to half of the prepared cavities, which were restored with composite resin. Half of the specimens in each group underwent 10,000 cycles of thermocycling. Microleakage was evaluated using two dimensional (2D and three dimensional (3D dye penetration techniques separately for each half of each specimen. Data were analyzed with SPSS 11.5 (SPSS Inc., using the Kruskal-Wallis and Mann-Whitney U tests (α = 0.05. Results The difference between the 2D and 3D microleakage evaluation techniques was significant at the occlusal margins of Single bond groups (p = 0.002. The differences between 2D and 3D microleakage evaluation techniques were significant at both the occlusal and cervical margins of Clearfil SE Bond groups (p = 0.017 and p = 0.002, respectively. The difference between the 2D and 3D techniques was significant at the occlusal margins of non-aged groups (p = 0.003. The difference between these two techniques was significant at the occlusal margins of the aged groups (p = 0.001. The Mann-Whitney test showed significant differences between the two techniques only at the occlusal margins in all specimens. Conclusions Under the limitations of the present study, it can be concluded that the 3D technique has the capacity to detect occlusal microleakage more precisely than the 2D technique.

  13. NMR methods for the investigation of structure and transport

    Energy Technology Data Exchange (ETDEWEB)

    Hardy, Edme H. [Karlsruher Institut fuer Technologie (KIT), Karlsruhe (Germany). Inst. fuer Mechanische Verfahrenstechnik und Mechanik

    2012-07-01

    Extensive derivations of required fundamental relations for readers with engineering background New applications based on MRI, PGSE-NMR, and low-field NMR New concepts in quantitative data evaluation and image analysis Methods of nuclear magnetic resonance (NMR) are increasingly applied in engineering sciences. The book summarizes research in the field of chemical and process engineering performed at the Karlsruhe Institute of Technology (KIT). Fundamentals of the methods are exposed for readers with an engineering background. Applications cover the fields of mechanical process engineering (filtration, solid-liquid separation, powder mixing, rheometry), chemical process engineering (trickle-bed reactor, ceramic sponges), bioprocess engineering (biofilm growth), and food process engineering (microwave heating, emulsions). Magnetic Resonance Imaging (MRI) as well as low-field NMR are covered with notes on hardware. Emphasis is placed on quantitative data analysis and image processing. (orig.)

  14. NMR methods for the investigation of structure and transport

    International Nuclear Information System (INIS)

    Hardy, Edme H.

    2012-01-01

    Extensive derivations of required fundamental relations for readers with engineering background New applications based on MRI, PGSE-NMR, and low-field NMR New concepts in quantitative data evaluation and image analysis Methods of nuclear magnetic resonance (NMR) are increasingly applied in engineering sciences. The book summarizes research in the field of chemical and process engineering performed at the Karlsruhe Institute of Technology (KIT). Fundamentals of the methods are exposed for readers with an engineering background. Applications cover the fields of mechanical process engineering (filtration, solid-liquid separation, powder mixing, rheometry), chemical process engineering (trickle-bed reactor, ceramic sponges), bioprocess engineering (biofilm growth), and food process engineering (microwave heating, emulsions). Magnetic Resonance Imaging (MRI) as well as low-field NMR are covered with notes on hardware. Emphasis is placed on quantitative data analysis and image processing. (orig.)

  15. Effect of alkali cations on two-dimensional networks of two new quaternary thioarsenates (III) prepared by a facile surfactant-thermal method

    Energy Technology Data Exchange (ETDEWEB)

    Yan, Dongming [School of Civil and Architectural Engineering, Zhejiang University, Hangzhou 310058 (China); Hou, Peipei; Liu, Chang [State Key Laboratory of Silicon Materials, School of Materials Science and Engineering, Zhejiang University, Hangzhou 310027 (China); Chai, Wenxiang [College of Materials Science and Engineering, China Jiliang University, Hangzhou 310018 (China); Zheng, Xuerong [State Key Laboratory of Silicon Materials, School of Materials Science and Engineering, Zhejiang University, Hangzhou 310027 (China); Zhang, Luodong [School of Civil and Architectural Engineering, Zhejiang University, Hangzhou 310058 (China); Zhi, Mingjia; Zhou, Chunmei [State Key Laboratory of Silicon Materials, School of Materials Science and Engineering, Zhejiang University, Hangzhou 310027 (China); Liu, Yi, E-mail: liuyimse@zju.edu.cn [State Key Laboratory of Silicon Materials, School of Materials Science and Engineering, Zhejiang University, Hangzhou 310027 (China)

    2016-09-15

    Two new quaternary thioarsenates(III) NaAg{sub 2}AsS{sub 3}·H{sub 2}O (1) and KAg{sub 2}AsS{sub 3} (2) with high yields have been successfully prepared through a facile surfactant-thermal method. It is interesting that 2 can only be obtained with the aid of ethanediamine (en), which indicates that weak basicity of solvent is beneficial to the growth of 2 compared with 1. Both 1 and 2 feature the similar two-dimensional (2D) layer structures. However, the distortion of the primary honeycomb-like nets in 2 is more severe than that of 1, which demonstrates that Na{sup +} and K{sup +} cations have different structure directing effects on these two thioarsenates(III). Both experimental and theoretical studies confirm 1 and 2 are semiconductors with band gaps in the visible region. Our success in preparing these two quaternary thioarsenates(III) proves that surfactant-thermal technique is a powerful yet facile synthetic method to explore new complex chalcogenides. - Graphical abstract: Two new quaternary thioarsenates(III) NaAg{sub 2}AsS{sub 3}·H{sub 2}O (1) and KAg{sub 2}AsS{sub 3} (2) with high yields have been successfully prepared through a facile surfactant-thermal method. X-ray single crystal diffraction analyses demonstrate that Na{sup +} and K{sup +} cations have different structure directing effects on these two thioarsenates(III). Both experimental and theoretical studies confirm 1 and 2 are semiconductors with band gaps in the visible region. Display Omitted - Highlights: • NaAg{sub 2}AsS{sub 3}⋅H{sub 2}O (1) and KAg{sub 2}AsS{sub 3} (2) were prepared through surfactant-thermal method. • Crystal structures show Na{sup ±} and K{sup ±} have different structure directing effects. • The weak basicity of solvent is benefit to the growth of 2 compared with 1. • Experimental and theoretical studies confirm 1 and 2 are semiconductors.

  16. Two-dimensional metamaterial optics

    International Nuclear Information System (INIS)

    Smolyaninov, I I

    2010-01-01

    While three-dimensional photonic metamaterials are difficult to fabricate, many new concepts and ideas in the metamaterial optics can be realized in two spatial dimensions using planar optics of surface plasmon polaritons. In this paper we review recent progress in this direction. Two-dimensional photonic crystals, hyperbolic metamaterials, and plasmonic focusing devices are demonstrated and used in novel microscopy and waveguiding schemes

  17. Application of two-dimensional J-resolved nuclear magnetic resonance spectroscopy to differentiation of beer

    International Nuclear Information System (INIS)

    Khatib, Alfi; Wilson, Erica G.; Kim, Hye Kyong; Lefeber, Alfons W.M.; Erkelens, Cornelis; Choi, Young Hae; Verpoorte, Robert

    2006-01-01

    A number of ingredients in beer that directly or indirectly affect its quality require an unbiased wide-spectrum analytical method that allows for the determination of a wide array of compounds for its efficient control. 1 H nuclear magnetic resonance (NMR) spectroscopy is a method that clearly meets this description as the broad range of compounds in beer is detectable. However, the resulting congestion of signals added to the low resolution of 1 H NMR spectra makes the identification of individual components very difficult. Among two-dimensional (2D) NMR techniques that increase the resolution, J-resolved NMR spectra were successfully applied to the analysis of 2-butanol extracts of beer as overlapping signals in 1 H NMR spectra were fully resolved by the additional axis of the coupling constant. Principal component analysis based on the projected J-resolved NMR spectra showed a clear separation between all of the six brands of pilsner beer evaluated in this study. The compounds responsible for the differentiation were identified by 2D NMR spectra including correlated spectroscopy and heteronuclear multiple bond correlation spectra together with J-resolved spectra. They were identified as nucleic acid derivatives (adenine, uridine and xanthine), amino acids (tyrosine and proline), organic acid (succinic and lactic acid), alcohol (tyrosol and isopropanol), cholines and carbohydrates

  18. Geophysical Investigation using Two Dimensional Electrical Resistivity Tomography method to delineate Subsurface Geological Structures at Dudhkoshi-II (230 MW) Hydroelectric Project, Solukhumbu District, Eastern Nepal

    Science.gov (United States)

    Ghimire, H.; Bhusal, U. C.; Khatiwada, B.; Pandey, D.

    2017-12-01

    Geophysical investigation using two dimensional electrical resistivity tomography (2D-ERT) method plays a significant role in determining the subsurface resistivity distribution by making measurement on the ground surface. This method was carried out at Dudhkoshi-II (230 MW) Hydroelectric Project, lies on Lesser Himalayan region of the Eastern Nepal to delineate the nature of the subsurface geology to assess its suitability for the construction of dam, desanding basin and powerhouse. The main objective of the proposed study consists of mapping vertical as well as horizontal variations of electrical resistivity to enable detection of the boundaries between unconsolidated materials and rocks of the different resistivity, possible geologic structures, such as possible presence of faults, fractures, and voids in intake and powerhouse area. For this purpose, the (WDJD-4 Multi-function Digital DC Resistivity/IP) equipment was used with Wenner array (60 electrodes). To fulfill these objectives of the study, the site area was mapped by Nine ERT profiles with different profile length and space between electrodes was 5 m. The depth of the investigation was 50 m. The acquired data were inverted to tomogram sections using tomographic inversion with RES2DINV commercial software. The Tomography sections show that the subsurface is classified into distinct geo-electric layers of dry unconsolidated overburden, saturated overburden, fractured rock and fresh bedrock of phyllites with quartzite and gneiss with different resistivity values. There were no voids and faults in the study area. Thickness of overburden at different region found to be different. Most of the survey area has bedrock of phyllites with quartzite; gneiss is also present in some location at intake area. Bedrock is found at the varies depth of 5-8 m at dam axis, 20-32 m at desanding basin and 3-10 m at powerhouse area. These results are confirmed and verified by using several boreholes data were drilled on the

  19. Two-dimensional flexible nanoelectronics

    Science.gov (United States)

    Akinwande, Deji; Petrone, Nicholas; Hone, James

    2014-12-01

    2014/2015 represents the tenth anniversary of modern graphene research. Over this decade, graphene has proven to be attractive for thin-film transistors owing to its remarkable electronic, optical, mechanical and thermal properties. Even its major drawback--zero bandgap--has resulted in something positive: a resurgence of interest in two-dimensional semiconductors, such as dichalcogenides and buckled nanomaterials with sizeable bandgaps. With the discovery of hexagonal boron nitride as an ideal dielectric, the materials are now in place to advance integrated flexible nanoelectronics, which uniquely take advantage of the unmatched portfolio of properties of two-dimensional crystals, beyond the capability of conventional thin films for ubiquitous flexible systems.

  20. Two-dimensional topological photonics

    Science.gov (United States)

    Khanikaev, Alexander B.; Shvets, Gennady

    2017-12-01

    Originating from the studies of two-dimensional condensed-matter states, the concept of topological order has recently been expanded to other fields of physics and engineering, particularly optics and photonics. Topological photonic structures have already overturned some of the traditional views on wave propagation and manipulation. The application of topological concepts to guided wave propagation has enabled novel photonic devices, such as reflection-free sharply bent waveguides, robust delay lines, spin-polarized switches and non-reciprocal devices. Discrete degrees of freedom, widely used in condensed-matter physics, such as spin and valley, are now entering the realm of photonics. In this Review, we summarize the latest advances in this highly dynamic field, with special emphasis on the experimental work on two-dimensional photonic topological structures.

  1. Two-dimensional thermofield bosonization

    International Nuclear Information System (INIS)

    Amaral, R.L.P.G.; Belvedere, L.V.; Rothe, K.D.

    2005-01-01

    The main objective of this paper was to obtain an operator realization for the bosonization of fermions in 1 + 1 dimensions, at finite, non-zero temperature T. This is achieved in the framework of the real-time formalism of Thermofield Dynamics. Formally, the results parallel those of the T = 0 case. The well-known two-dimensional Fermion-Boson correspondences at zero temperature are shown to hold also at finite temperature. To emphasize the usefulness of the operator realization for handling a large class of two-dimensional quantum field-theoretic problems, we contrast this global approach with the cumbersome calculation of the fermion-current two-point function in the imaginary-time formalism and real-time formalisms. The calculations also illustrate the very different ways in which the transmutation from Fermi-Dirac to Bose-Einstein statistics is realized

  2. Introduction to quantum calculation methods in high resolution NMR

    International Nuclear Information System (INIS)

    Goldman, M.

    1996-01-01

    New techniques as for instance the polarization transfer, the coherence with several quanta and the double Fourier transformation have appeared fifteen years ago. These techniques constitute a considerable advance in NMR. Indeed, they allow to study more complex molecules than it was before possible. But with these advances, the classical description of the NMR is not enough to understand precisely the physical phenomena induced by these methods. It is then necessary to resort to quantum calculation methods. The aim of this work is to present these calculation methods. After some recalls of quantum mechanics, the author describes the NMR with the density matrix, reviews the main methods of double Fourier transformation and then gives the principle of the relaxation times calculation. (O.M.)

  3. Two dimensional unstable scar statistics.

    Energy Technology Data Exchange (ETDEWEB)

    Warne, Larry Kevin; Jorgenson, Roy Eberhardt; Kotulski, Joseph Daniel; Lee, Kelvin S. H. (ITT Industries/AES Los Angeles, CA)

    2006-12-01

    This report examines the localization of time harmonic high frequency modal fields in two dimensional cavities along periodic paths between opposing sides of the cavity. The cases where these orbits lead to unstable localized modes are known as scars. This paper examines the enhancements for these unstable orbits when the opposing mirrors are both convex and concave. In the latter case the construction includes the treatment of interior foci.

  4. Finding two-dimensional peaks

    International Nuclear Information System (INIS)

    Silagadze, Z.K.

    2007-01-01

    Two-dimensional generalization of the original peak finding algorithm suggested earlier is given. The ideology of the algorithm emerged from the well-known quantum mechanical tunneling property which enables small bodies to penetrate through narrow potential barriers. We merge this 'quantum' ideology with the philosophy of Particle Swarm Optimization to get the global optimization algorithm which can be called Quantum Swarm Optimization. The functionality of the newborn algorithm is tested on some benchmark optimization problems

  5. NMR and MS Methods for Metabolomics.

    Science.gov (United States)

    Amberg, Alexander; Riefke, Björn; Schlotterbeck, Götz; Ross, Alfred; Senn, Hans; Dieterle, Frank; Keck, Matthias

    2017-01-01

    Metabolomics, also often referred as "metabolic profiling," is the systematic profiling of metabolites in biofluids or tissues of organisms and their temporal changes. In the last decade, metabolomics has become more and more popular in drug development, molecular medicine, and other biotechnology fields, since it profiles directly the phenotype and changes thereof in contrast to other "-omics" technologies. The increasing popularity of metabolomics has been possible only due to the enormous development in the technology and bioinformatics fields. In particular, the analytical technologies supporting metabolomics, i.e., NMR, UPLC-MS, and GC-MS, have evolved into sensitive and highly reproducible platforms allowing the determination of hundreds of metabolites in parallel. This chapter describes the best practices of metabolomics as seen today. All important steps of metabolic profiling in drug development and molecular medicine are described in great detail, starting from sample preparation to determining the measurement details of all analytical platforms, and finally to discussing the corresponding specific steps of data analysis.

  6. NMR and MS methods for metabonomics.

    Science.gov (United States)

    Dieterle, Frank; Riefke, Björn; Schlotterbeck, Götz; Ross, Alfred; Senn, Hans; Amberg, Alexander

    2011-01-01

    Metabonomics, also often referred to as "metabolomics" or "metabolic profiling," is the systematic profiling of metabolites in bio-fluids or tissues of organisms and their temporal changes. In the last decade, metabonomics has become increasingly popular in drug development, molecular medicine, and other biotechnology fields, since it profiles directly the phenotype and changes thereof in contrast to other "-omics" technologies. The increasing popularity of metabonomics has been possible only due to the enormous development in the technology and bioinformatics fields. In particular, the analytical technologies supporting metabonomics, i.e., NMR, LC-MS, UPLC-MS, and GC-MS have evolved into sensitive and highly reproducible platforms allowing the determination of hundreds of metabolites in parallel. This chapter describes the best practices of metabonomics as seen today. All important steps of metabolic profiling in drug development and molecular medicine are described in great detail, starting from sample preparation, to determining the measurement details of all analytical platforms, and finally, to discussing the corresponding specific steps of data analysis.

  7. One- and two-dimensional chemical exchange nuclear magnetic resonance studies of the creatine kinase catalyzed reaction

    International Nuclear Information System (INIS)

    Gober, J.R.

    1988-01-01

    The equilibrium chemical exchange dynamics of the creatine kinase enzyme system were studied by one- and two-dimensional 31 P NMR techniques. Pseudo-first-order reaction rate constants were measured by the saturation transfer method under an array of experimental conditions of pH and temperature. Quantitative one-dimensional spectra were collected under the same conditions in order to calculate the forward and reverse reaction rates, the K eq , the hydrogen ion stoichiometry, and the standard thermodynamic functions. The pure absorption mode in four quadrant two-dimensional chemical exchange experiment was employed so that the complete kinetic matrix showing all of the chemical exchange process could be realized

  8. Two-Dimensional Extreme Learning Machine

    Directory of Open Access Journals (Sweden)

    Bo Jia

    2015-01-01

    (BP networks. However, like many other methods, ELM is originally proposed to handle vector pattern while nonvector patterns in real applications need to be explored, such as image data. We propose the two-dimensional extreme learning machine (2DELM based on the very natural idea to deal with matrix data directly. Unlike original ELM which handles vectors, 2DELM take the matrices as input features without vectorization. Empirical studies on several real image datasets show the efficiency and effectiveness of the algorithm.

  9. Two-dimensional Kagome photonic bandgap waveguide

    DEFF Research Database (Denmark)

    Nielsen, Jens Bo; Søndergaard, Thomas; Libori, Stig E. Barkou

    2000-01-01

    The transverse-magnetic photonic-bandgap-guidance properties are investigated for a planar two-dimensional (2-D) Kagome waveguide configuration using a full-vectorial plane-wave-expansion method. Single-moded well-localized low-index guided modes are found. The localization of the optical modes...... is investigated with respect to the width of the 2-D Kagome waveguide, and the number of modes existing for specific frequencies and waveguide widths is mapped out....

  10. Two dimensional infinite conformal symmetry

    International Nuclear Information System (INIS)

    Mohanta, N.N.; Tripathy, K.C.

    1993-01-01

    The invariant discontinuous (discrete) conformal transformation groups, namely the Kleinian and Fuchsian groups Gamma (with an arbitrary signature) of H (the Poincare upper half-plane l) and the unit disc Delta are explicitly constructed from the fundamental domain D. The Riemann surface with signatures of Gamma and conformally invariant automorphic forms (functions) with Peterson scalar product are discussed. The functor, where the category of complex Hilbert spaces spanned by the space of cusp forms constitutes the two dimensional conformal field theory. (Author) 7 refs

  11. Two-dimensional liquid chromatography

    DEFF Research Database (Denmark)

    Græsbøll, Rune

    -dimensional separation space. Optimization of gradients in online RP×RP is more difficult than in normal HPLC as a result of the increased number of parameters and their influence on each other. Modeling the coverage of the compounds across the two-dimensional chromatogram as a result of a change in gradients could...... be used for optimization purposes, and reduce the time spend on optimization. In this thesis (chapter 6), and manuscript B, a measure of the coverage of the compounds in the twodimensional separation space is defined. It is then shown that this measure can be modeled for changes in the gradient in both...

  12. Two-dimensional capillary origami

    Energy Technology Data Exchange (ETDEWEB)

    Brubaker, N.D., E-mail: nbrubaker@math.arizona.edu; Lega, J., E-mail: lega@math.arizona.edu

    2016-01-08

    We describe a global approach to the problem of capillary origami that captures all unfolded equilibrium configurations in the two-dimensional setting where the drop is not required to fully wet the flexible plate. We provide bifurcation diagrams showing the level of encapsulation of each equilibrium configuration as a function of the volume of liquid that it contains, as well as plots representing the energy of each equilibrium branch. These diagrams indicate at what volume level the liquid drop ceases to be attached to the endpoints of the plate, which depends on the value of the contact angle. As in the case of pinned contact points, three different parameter regimes are identified, one of which predicts instantaneous encapsulation for small initial volumes of liquid. - Highlights: • Full solution set of the two-dimensional capillary origami problem. • Fluid does not necessarily wet the entire plate. • Global energy approach provides exact differential equations satisfied by minimizers. • Bifurcation diagrams highlight three different regimes. • Conditions for spontaneous encapsulation are identified.

  13. Two-dimensional capillary origami

    International Nuclear Information System (INIS)

    Brubaker, N.D.; Lega, J.

    2016-01-01

    We describe a global approach to the problem of capillary origami that captures all unfolded equilibrium configurations in the two-dimensional setting where the drop is not required to fully wet the flexible plate. We provide bifurcation diagrams showing the level of encapsulation of each equilibrium configuration as a function of the volume of liquid that it contains, as well as plots representing the energy of each equilibrium branch. These diagrams indicate at what volume level the liquid drop ceases to be attached to the endpoints of the plate, which depends on the value of the contact angle. As in the case of pinned contact points, three different parameter regimes are identified, one of which predicts instantaneous encapsulation for small initial volumes of liquid. - Highlights: • Full solution set of the two-dimensional capillary origami problem. • Fluid does not necessarily wet the entire plate. • Global energy approach provides exact differential equations satisfied by minimizers. • Bifurcation diagrams highlight three different regimes. • Conditions for spontaneous encapsulation are identified.

  14. Two-dimensional turbulent convection

    Science.gov (United States)

    Mazzino, Andrea

    2017-11-01

    We present an overview of the most relevant, and sometimes contrasting, theoretical approaches to Rayleigh-Taylor and mean-gradient-forced Rayleigh-Bénard two-dimensional turbulence together with numerical and experimental evidences for their support. The main aim of this overview is to emphasize that, despite the different character of these two systems, especially in relation to their steadiness/unsteadiness, turbulent fluctuations are well described by the same scaling relationships originated from the Bolgiano balance. The latter states that inertial terms and buoyancy terms balance at small scales giving rise to an inverse kinetic energy cascade. The main difference with respect to the inverse energy cascade in hydrodynamic turbulence [R. H. Kraichnan, "Inertial ranges in two-dimensional turbulence," Phys. Fluids 10, 1417 (1967)] is that the rate of cascade of kinetic energy here is not constant along the inertial range of scales. Thanks to the absence of physical boundaries, the two systems here investigated turned out to be a natural physical realization of the Kraichnan scaling regime hitherto associated with the elusive "ultimate state of thermal convection" [R. H. Kraichnan, "Turbulent thermal convection at arbitrary Prandtl number," Phys. Fluids 5, 1374-1389 (1962)].

  15. Toward two-dimensional search engines

    International Nuclear Information System (INIS)

    Ermann, L; Shepelyansky, D L; Chepelianskii, A D

    2012-01-01

    We study the statistical properties of various directed networks using ranking of their nodes based on the dominant vectors of the Google matrix known as PageRank and CheiRank. On average PageRank orders nodes proportionally to a number of ingoing links, while CheiRank orders nodes proportionally to a number of outgoing links. In this way, the ranking of nodes becomes two dimensional which paves the way for the development of two-dimensional search engines of a new type. Statistical properties of information flow on the PageRank–CheiRank plane are analyzed for networks of British, French and Italian universities, Wikipedia, Linux Kernel, gene regulation and other networks. A special emphasis is done for British universities networks using the large database publicly available in the UK. Methods of spam links control are also analyzed. (paper)

  16. Acoustic phonon emission by two dimensional plasmons

    International Nuclear Information System (INIS)

    Mishonov, T.M.

    1990-06-01

    Acoustic wave emission of the two dimensional plasmons in a semiconductor or superconductor microstructure is investigated by using the phenomenological deformation potential within the jellium model. The plasmons are excited by the external electromagnetic (e.m.) field. The power conversion coefficient of e.m. energy into acoustic wave energy is also estimated. It is shown, the coherent transformation has a sharp resonance at the plasmon frequency of the two dimensional electron gas (2DEG). The incoherent transformation of the e.m. energy is generated by ohmic dissipation of 2DEG. The method proposed for coherent phonon beam generation can be very effective for high mobility 2DEG and for thin superconducting layers if the plasmon frequency ω is smaller than the superconducting gap 2Δ. (author). 21 refs, 1 fig

  17. Rapid and novel discrimination and quantification of oleanolic and ursolic acids in complex plant extracts using two-dimensional nuclear magnetic resonance spectroscopy-Comparison with HPLC methods

    International Nuclear Information System (INIS)

    Kontogianni, Vassiliki G.; Exarchou, Vassiliki; Troganis, Anastassios; Gerothanassis, Ioannis P.

    2009-01-01

    A novel strategy for NMR analysis of mixtures of oleanolic and ursolic acids that occur in natural products is described. These important phytochemicals have similar structure and their discrimination and quantification is rather difficult. We report herein the combined use of proton-carbon heteronuclear single-quantum coherence ( 1 H- 13 C HSQC) and proton-carbon heteronuclear multiple-bond correlation ( 1 H- 13 C HMBC) NMR spectroscopy, in the identification and quantitation of oleanolic acid (OA) and ursolic acid (UA)in plant extracts of the Lamiaceae and Oleaceae family. The combination of 1 H- 13 C HSQC and 1 H- 13 C HMBC techniques allows the connection of the proton and carbon-13 spins across the molecular backbone resulting in the identification and, thus, discrimination of oleanolic and ursolic acid without resorting to physicochemical separation of the components. The quantitative results provided by 2D 1 H- 13 C HSQC NMR data were obtained within a short period of time (∼14 min) and are in excellent agreement with those obtained by HPLC, which support the efficiency of the suggested methodology

  18. Hadrons in two-dimensional quantum chromodynamics: Construction and study of bound states by means of perturbative and non-perturbative methods

    International Nuclear Information System (INIS)

    Zeppenfeld, D.

    1984-01-01

    The present thesis deals with the construction and the analysis of mesonic bound states in SU(N) gauge theories in a two-dimensional space-time. The based field theory can thereby be considered as a simplified version of the QCD, the theory of the strong interactions. After an extensive discussion of the quantization in the temporal gauge and after the Poincare invariance of the theory has been shown mesonic bound states and the meson spectrum for different ranges of the free parameters of the theory (quark mass, coupling constant, and index N of the gauge group) are treated. The spectrum is given by a boundary value problem which in the perturbative limit is solved analytically. For massless quarks gauge-invariant annihilation operators are constructed which permit an exact solution of the energy eigenvalue equation. The energy eigenstates so found described massive interacting mesons which are surrounded by a cloud of massless free particles. (orig.) [de

  19. JAC2D: A two-dimensional finite element computer program for the nonlinear quasi-static response of solids with the conjugate gradient method; Yucca Mountain Site Characterization Project

    Energy Technology Data Exchange (ETDEWEB)

    Biffle, J.H.; Blanford, M.L.

    1994-05-01

    JAC2D is a two-dimensional finite element program designed to solve quasi-static nonlinear mechanics problems. A set of continuum equations describes the nonlinear mechanics involving large rotation and strain. A nonlinear conjugate gradient method is used to solve the equations. The method is implemented in a two-dimensional setting with various methods for accelerating convergence. Sliding interface logic is also implemented. A four-node Lagrangian uniform strain element is used with hourglass stiffness to control the zero-energy modes. This report documents the elastic and isothermal elastic/plastic material model. Other material models, documented elsewhere, are also available. The program is vectorized for efficient performance on Cray computers. Sample problems described are the bending of a thin beam, the rotation of a unit cube, and the pressurization and thermal loading of a hollow sphere.

  20. Two-dimensional quantum repeaters

    Science.gov (United States)

    Wallnöfer, J.; Zwerger, M.; Muschik, C.; Sangouard, N.; Dür, W.

    2016-11-01

    The endeavor to develop quantum networks gave rise to a rapidly developing field with far-reaching applications such as secure communication and the realization of distributed computing tasks. This ultimately calls for the creation of flexible multiuser structures that allow for quantum communication between arbitrary pairs of parties in the network and facilitate also multiuser applications. To address this challenge, we propose a two-dimensional quantum repeater architecture to establish long-distance entanglement shared between multiple communication partners in the presence of channel noise and imperfect local control operations. The scheme is based on the creation of self-similar multiqubit entanglement structures at growing scale, where variants of entanglement swapping and multiparty entanglement purification are combined to create high-fidelity entangled states. We show how such networks can be implemented using trapped ions in cavities.

  1. Three-dimensional structural analysis of the group B polysaccharide of Neisseria meningitidis 6275 by two-dimensional NMR: The polysaccharide is suggested to exist in helical conformations in solution

    Energy Technology Data Exchange (ETDEWEB)

    Yamasaki, Ryohei; Bacon, B. (Univ. of California, San Francisco (USA) Veterans Administration Medical Center, San Francisco, CA (USA))

    1991-01-22

    The solution conformations of the group B polysaccharide of Neisseria meningitidis were analyzed by DQF-COSY and pure absorption 2D NOE NMR with three mixing times. The pyranose ring of the sialic acid residue was found to be in the {sup 2}C{sub 5} conformation. The DQF-COSY analysis indicated that the orientations of H6 and H7 and of H7 and H8 are both gauche. In order to overcome the difficulties in analyzing the NOE data due to the two sets of proton overlaps, molecular modeling of {alpha}-2,8-linked sialic acid oligomers was carried out to investigate possible conformers, and theoretical NOE calculations were performed by using CORMA (complete relaxation matrix analysis). The analysis suggests that the polysaccharide adopts helical structures for which the {phi} (defined by O6-C2-O8-C8) and {psi} (C2-O8-C8-C7) angles are in the following ranges: {phi}-60 to 0{degree}, {psi} 115-175{degree} or {phi} 90-120{degree}, {psi}55-175{degree}. The weak affinity of anti-B antibodies for smaller {alpha}-2,8-linked oligosaccharides may be due to the fact that such oligomers are more flexible and may not form an ordered structure as the poly(sialic acid) does.

  2. NMR methods for the investigation of structure and transport

    CERN Document Server

    Hardy, Edme H

    2011-01-01

    Methods of nuclear magnetic resonance (NMR) are increasingly applied in engineering sciences. The book summarizes research in the field of chemical and process engineering performed at the Karlsruhe Institute of Technology (KIT). Fundamentals of the methods are exposed for readers with an engineering background. Applications cover the fields of mechanical process engineering (filtration, solid-liquid separation, powder mixing, rheometry), chemical process engineering (trickle-bed reactor, ceramic sponges), bioprocess engineering (biofilm growth), and food process engineering (microwave heating

  3. Sensitivity of quantum walks to a boundary of two-dimensional lattices: approaches based on the CGMV method and topological phases

    International Nuclear Information System (INIS)

    Endo, Takako; Konno, Norio; Obuse, Hideaki; Segawa, Etsuo

    2017-01-01

    In this paper, we treat quantum walks in a two-dimensional lattice with cutting edges along a straight boundary introduced by Asboth and Edge (2015 Phys. Rev . A 91 022324) in order to study one-dimensional edge states originating from topological phases of matter and to obtain collateral evidence of how a quantum walker reacts to the boundary. Firstly, we connect this model to the CMV matrix, which provides a 5-term recursion relation of the Laurent polynomial associated with spectral measure on the unit circle. Secondly, we explicitly derive the spectra of bulk and edge states of the quantum walk with the boundary using spectral analysis of the CMV matrix. Thirdly, while topological numbers of the model studied so far are well-defined only when gaps in the bulk spectrum exist, we find a new topological number defined only when there are no gaps in the bulk spectrum. We confirm that the existence of the spectrum for edge states derived from the CMV matrix is consistent with the prediction from a bulk-edge correspondence using topological numbers calculated in the cases where gaps in the bulk spectrum do or do not exist. Finally, we show how the edge states contribute to the asymptotic behavior of the quantum walk through limit theorems of the finding probability. Conversely, we also propose a differential equation using this limit distribution whose solution is the underlying edge state. (paper)

  4. Two-dimensional electronic femtosecond stimulated Raman spectroscopy

    Directory of Open Access Journals (Sweden)

    Ogilvie J.P.

    2013-03-01

    Full Text Available We report two-dimensional electronic spectroscopy with a femtosecond stimulated Raman scattering probe. The method reveals correlations between excitation energy and excited state vibrational structure following photoexcitation. We demonstrate the method in rhodamine 6G.

  5. Equilibrium: two-dimensional configurations

    International Nuclear Information System (INIS)

    Anon.

    1987-01-01

    In Chapter 6, the problem of toroidal force balance is addressed in the simplest, nontrivial two-dimensional geometry, that of an axisymmetric torus. A derivation is presented of the Grad-Shafranov equation, the basic equation describing axisymmetric toroidal equilibrium. The solutions to equations provide a complete description of ideal MHD equilibria: radial pressure balance, toroidal force balance, equilibrium Beta limits, rotational transform, shear, magnetic wall, etc. A wide number of configurations are accurately modeled by the Grad-Shafranov equation. Among them are all types of tokamaks, the spheromak, the reversed field pinch, and toroidal multipoles. An important aspect of the analysis is the use of asymptotic expansions, with an inverse aspect ratio serving as the expansion parameter. In addition, an equation similar to the Grad-Shafranov equation, but for helically symmetric equilibria, is presented. This equation represents the leading-order description low-Beta and high-Beta stellarators, heliacs, and the Elmo bumpy torus. The solutions all correspond to infinitely long straight helices. Bending such a configuration into a torus requires a full three-dimensional calculation and is discussed in Chapter 7

  6. Effect of Temperature and Fluid Flow on Dendrite Growth During Solidification of Al-3 Wt Pct Cu Alloy by the Two-Dimensional Cellular Automaton Method

    Science.gov (United States)

    Gu, Cheng; Wei, Yanhong; Liu, Renpei; Yu, Fengyi

    2017-12-01

    A two-dimensional cellular automaton-finite volume model was developed to simulate dendrite growth of Al-3 wt pct Cu alloy during solidification to investigate the effect of temperature and fluid flow on dendrite morphology, solute concentration distribution, and dendrite growth velocity. Different calculation conditions that may influence the results of the simulation, including temperature and flow, were considered. The model was also employed to study the effect of different undercoolings, applied temperature fields, and forced flow velocities on solute segregation and dendrite growth. The initial temperature and fluid flow have a significant impact on the dendrite morphologies and solute profiles during solidification. The release of energy is operated with solidification and results in the increase of temperature. A larger undercooling leads to larger solute concentration near the solid/liquid interface and solute concentration gradient at the same time-step. Solute concentration in the solid region tends to increase with the increase of undercooling. Four vortexes appear under the condition when natural flow exists: the two on the right of the dendrite rotate clockwise, and those on the left of the dendrite rotate counterclockwise. With the increase of forced flow velocity, the rejected solute in the upstream region becomes easier to be washed away and enriched in the downstream region, resulting in acceleration of the growth of the dendrite in the upstream and inhibiting the downstream dendrite growth. The dendrite perpendicular to fluid flow shows a coarser morphology in the upstream region than that of the downstream. Almost no secondary dendrite appears during the calculation process.

  7. DFT and two-dimensional correlation analysis methods for evaluating the Pu3+–Pu4+ electronic transition of plutonium-doped zircon

    International Nuclear Information System (INIS)

    Bian, Liang; Dong, Fa-qin; Song, Mian-xin; Dong, Hai-liang; Li, Wei-Min; Duan, Tao; Xu, Jin-bao; Zhang, Xiao-yan

    2015-01-01

    Highlights: • Effect of Pu f-shell electron on the electronic property of zircon is calculated via DFT and 2D-CA techniques. • Reasons of Pu f-shell electron influencing on electronic properties are systematically discussed. • Phase transitions are found at two point 2.8 mol% and 7.5 mol%. - Abstract: Understanding how plutonium (Pu) doping affects the crystalline zircon structure is very important for risk management. However, so far, there have been only a very limited number of reports of the quantitative simulation of the effects of the Pu charge and concentration on the phase transition. In this study, we used density functional theory (DFT), virtual crystal approximation (VCA), and two-dimensional correlation analysis (2D-CA) techniques to calculate the origins of the structural and electronic transitions of Zr 1−c Pu c SiO 4 over a wide range of Pu doping concentrations (c = 0–10 mol%). The calculations indicated that the low-angular-momentum Pu-f xy -shell electron excites an inner-shell O-2s 2 orbital to create an oxygen defect (V O-s ) below c = 2.8 mol%. This oxygen defect then captures a low-angular-momentum Zr-5p 6 5s 2 electron to form an sp hybrid orbital, which exhibits a stable phase structure. When c > 2.8 mol%, each accumulated V O-p defect captures a high-angular-momentum Zr-4d z electron and two Si-p z electrons to create delocalized Si 4+ → Si 2+ charge disproportionation. Therefore, we suggest that the optimal amount of Pu cannot exceed 7.5 mol% because of the formation of a mixture of ZrO 8 polyhedral and SiO 4 tetrahedral phases with the orientation (10-1). This study offers new perspective on the development of highly stable zircon-based solid solution materials

  8. Development of a two-dimensional high-performance liquid chromatography system coupled with on-line reduction as a new efficient analytical method of 3-nitrobenzanthrone, a potential human carcinogen.

    Science.gov (United States)

    Hasei, Tomohiro; Nakanishi, Haruka; Toda, Yumiko; Watanabe, Tetsushi

    2012-08-31

    3-Nitrobenzanthrone (3-NBA) is an extremely strong mutagen and carcinogen in rats inducing squamous cell carcinoma and adenocarcinoma. We developed a new sensitive analytical method, a two-dimensional HPLC system coupled with on-line reduction, to quantify non-fluorescent 3-NBA as fluorescent 3-aminobenzanthrone (3-ABA). The two-dimensional HPLC system consisted of reversed-phase HPLC and normal-phase HPLC, which were connected with a switch valve. 3-NBA was purified by reversed-phase HPLC and reduced to 3-ABA with a catalyst column, packed with alumina coated with platinum, in ethanol. An alcoholic solvent is necessary for reduction of 3-NBA, but 3-ABA is not fluorescent in the alcoholic solvent. Therefore, 3-ABA was separated from alcohol and impurities by normal-phase HPLC and detected with a fluorescence detector. Extracts from surface soil, airborne particles, classified airborne particles, and incinerator dust were applied to the two-dimensional HPLC system after clean-up with a silica gel column. 3-NBA, detected as 3-ABA, in the extracts was found as a single peak on the chromatograms without any interfering peaks. 3-NBA was detected in 4 incinerator dust samples (n=5). When classified airborne particles, that is, those 7.0 μm in size, were applied to the two-dimensional HPLC system after purified using a silica gel column, 3-NBA was detected in those particles with particle sizes NBA in airborne particles and the detection of 3-NBA in incinerator dust. Copyright © 2012 Elsevier B.V. All rights reserved.

  9. DFT and two-dimensional correlation analysis methods for evaluating the Pu{sup 3+}–Pu{sup 4+} electronic transition of plutonium-doped zircon

    Energy Technology Data Exchange (ETDEWEB)

    Bian, Liang, E-mail: bianliang@ms.xjb.ac.cn [Key Laboratory of Functional Materials and Devices for Special Environments, Chinese Academy of Sciences, Urumqi 830011, Xinjiang (China); Laboratory for Extreme Conditions Matter Properties, South West University of Science and Technology, Mianyang 621010, Sichuan (China); Dong, Fa-qin; Song, Mian-xin [Laboratory for Extreme Conditions Matter Properties, South West University of Science and Technology, Mianyang 621010, Sichuan (China); Dong, Hai-liang [Department of Geology and Environmental Earth Science, Miami University, Oxford, OH 45056 (United States); Li, Wei-Min [Key Laboratory of Functional Materials and Devices for Special Environments, Chinese Academy of Sciences, Urumqi 830011, Xinjiang (China); Duan, Tao; Xu, Jin-bao [Laboratory for Extreme Conditions Matter Properties, South West University of Science and Technology, Mianyang 621010, Sichuan (China); Zhang, Xiao-yan [Key Laboratory of Functional Materials and Devices for Special Environments, Chinese Academy of Sciences, Urumqi 830011, Xinjiang (China); Laboratory for Extreme Conditions Matter Properties, South West University of Science and Technology, Mianyang 621010, Sichuan (China)

    2015-08-30

    Highlights: • Effect of Pu f-shell electron on the electronic property of zircon is calculated via DFT and 2D-CA techniques. • Reasons of Pu f-shell electron influencing on electronic properties are systematically discussed. • Phase transitions are found at two point 2.8 mol% and 7.5 mol%. - Abstract: Understanding how plutonium (Pu) doping affects the crystalline zircon structure is very important for risk management. However, so far, there have been only a very limited number of reports of the quantitative simulation of the effects of the Pu charge and concentration on the phase transition. In this study, we used density functional theory (DFT), virtual crystal approximation (VCA), and two-dimensional correlation analysis (2D-CA) techniques to calculate the origins of the structural and electronic transitions of Zr{sub 1−c}Pu{sub c}SiO{sub 4} over a wide range of Pu doping concentrations (c = 0–10 mol%). The calculations indicated that the low-angular-momentum Pu-f{sub xy}-shell electron excites an inner-shell O-2s{sup 2} orbital to create an oxygen defect (V{sub O-s}) below c = 2.8 mol%. This oxygen defect then captures a low-angular-momentum Zr-5p{sup 6}5s{sup 2} electron to form an sp hybrid orbital, which exhibits a stable phase structure. When c > 2.8 mol%, each accumulated V{sub O-p} defect captures a high-angular-momentum Zr-4d{sub z} electron and two Si-p{sub z} electrons to create delocalized Si{sup 4+} → Si{sup 2+} charge disproportionation. Therefore, we suggest that the optimal amount of Pu cannot exceed 7.5 mol% because of the formation of a mixture of ZrO{sub 8} polyhedral and SiO{sub 4} tetrahedral phases with the orientation (10-1). This study offers new perspective on the development of highly stable zircon-based solid solution materials.

  10. Two-dimensional fourier transform spectrometer

    Science.gov (United States)

    DeFlores, Lauren; Tokmakoff, Andrei

    2013-09-03

    The present invention relates to a system and methods for acquiring two-dimensional Fourier transform (2D FT) spectra. Overlap of a collinear pulse pair and probe induce a molecular response which is collected by spectral dispersion of the signal modulated probe beam. Simultaneous collection of the molecular response, pulse timing and characteristics permit real time phasing and rapid acquisition of spectra. Full spectra are acquired as a function of pulse pair timings and numerically transformed to achieve the full frequency-frequency spectrum. This method demonstrates the ability to acquire information on molecular dynamics, couplings and structure in a simple apparatus. Multi-dimensional methods can be used for diagnostic and analytical measurements in the biological, biomedical, and chemical fields.

  11. Improved treatment of two-dimensional neutral particle transport through voids within the discrete ordinates method by use of generalized view factors

    International Nuclear Information System (INIS)

    Brockmann, H.

    1992-01-01

    Using the discrete ordinates method for the treatment of neutral particle transport through voids serious flux distortions may occur due to the restricted streaming of particles along discrete directions. For mitigating this type of ray effect the method of view factors is proposed which has been developed in the theory of thermal radiation for describing the radiant exchange among surfaces. In order to apply this method to transport theory generalized view factors are defined which regard the angular dependence of the radiation leaving the surfaces. The generalized view factors are calculated analytically for r-z cylinder geometries and by applying the view factor algebra. The method was realized in the discrete ordinates transport code DOT 4.2 and applied to an r-z analogue of the S I S (Square-In-Square) sample problem. The results of the proposed method are compared with those calculated by the common discrete ordinates method and the Monte Carlo method

  12. Two-dimensional tracking and TDI are consistent methods for evaluating myocardial longitudinal peak strain in left and right ventricle basal segments in athletes

    OpenAIRE

    Lstefani, L.Stefani; Ltoncelli, L.Toncelli; Mgianassi, M.Gianassi; Pmanetti, P.Manetti; Vdi, V.Di Tante; Mrvono, M.R.Vono; Amoretti, A.Moretti; Bcappelli, B.Cappelli; Gpedrizzetti, G.Pedrizzetti; Ggalanti, G.Galanti

    2007-01-01

    Abstract Background Myocardial contractility can be investigated using longitudinal peak strain. It can be calculated using the Doppler-derived TDI method and the non-Doppler method based on tissue tracking on B-mode images. Both are validated and show good reproducibility, but no comparative analysis of their results has yet been conducted. This study analyzes the results obtained from the basal segments of the ventricular chambers in a group of athletes. Methods 30 regularly-trained athlete...

  13. Measurement of the second moment in NMR using instationary methods

    International Nuclear Information System (INIS)

    Fenzke, D.; Rinck, W.; Schneider, H.

    1973-01-01

    Different instationary methods for determination of the second moment in NMR are tested. Measurements were carried out with a noncommercial solid-state pulse spectrometer with a fast analog transient memory (aquisition time >0.5 μs), data processing with a ''DIDAC 800'' spectrum accumulator and a ''NICOLET-1080'' computer. For processing of signals three methods are discussed: the numerical differentiation, the least square method and an application of the sampling theorem. We determined the second moment observing the ''Free Induction Decay'', ''Solid Echo'', ''Magic Echo'' and a special group of many pulse pairs. ''Magic Echo'' and data processing with the least square method gave the best result, because only by this method the influence of apparatus dead time can be completely eliminated. (author)

  14. Solution of the two dimensional diffusion and transport equations in a rectangular lattice with an elliptical fuel element using Fourier transform methods: One and two group cases

    International Nuclear Information System (INIS)

    Williams, M.M.R.; Hall, S.K.; Eaton, M.D.

    2014-01-01

    Highlights: • A rectangular reactor cell with an elliptical fuel element. • Solution of transport and diffusion equations by Fourier expansion. • Numerical examples showing convergence. • Two group cell problems. - Abstract: A method for solving the diffusion and transport equations in a rectangular lattice cell with an elliptical fuel element has been developed using a Fourier expansion of the neutron flux. The method is applied to a one group model with a source in the moderator. The cell flux is obtained and also the associated disadvantage factor. In addition to the one speed case, we also consider the two group equations in the cell which now become an eigenvalue problem for the lattice multiplication factor. The method of solution relies upon an efficient procedure to solve a large set of simultaneous linear equations and for this we use the IMSL library routines. Our method is compared with the results from a finite element code. The main drawback of the problem arises from the very large number of terms required in the Fourier series which taxes the storage and speed of the computer. Nevertheless, useful solutions are obtained in geometries that would normally require the use of finite element or analogous methods, for this reason the Fourier method is useful for comparison with that type of numerical approach. Extension of the method to more intricate fuel shapes, such as stars and cruciforms as well as superpositions of these, is possible

  15. Study on two-dimensional induced signal readout of MRPC

    International Nuclear Information System (INIS)

    Wu Yucheng; Yue Qian; Li Yuanjing; Ye Jin; Cheng Jianping; Wang Yi; Li Jin

    2012-01-01

    A kind of two-dimensional readout electrode structure for the induced signal readout of MRPC has been studied in both simulation and experiments. Several MRPC prototypes are produced and a series of test experiments have been done to compare with the result of simulation, in order to verify the simulation model. The experiment results are in good agreement with those of simulation. This method will be used to design the two-dimensional signal readout mode of MRPC in the future work.

  16. Parallel performance and accuracy of lattice Boltzmann and traditional finite difference methods for solving the unsteady two-dimensional Burger's equation

    Science.gov (United States)

    Velivelli, A. C.; Bryden, K. M.

    2006-03-01

    Lattice Boltzmann methods are gaining recognition in the field of computational fluid dynamics due to their computational efficiency. In order to quantify the computational efficiency and accuracy of the lattice Boltzmann method, it is compared with efficient traditional finite difference methods such as the alternating direction implicit scheme. The lattice Boltzmann algorithm implemented in previous studies does not approach peak performance for simulations where the data involved in computation per time step is more than the cache size. Due to this, data is obtained from the main memory and this access is much slower than access to cache memory. Using a cache-optimized lattice Boltzmann algorithm, this paper takes into account the full computational strength of the lattice Boltzmann method. The com parison is performed on both a single processor and multiple processors.

  17. Two-dimensional calculation by finite element method of velocity field and temperature field development in fast reactor fuel assembly. II

    International Nuclear Information System (INIS)

    Schmid, J.

    1985-11-01

    A package of updated computer codes for velocity and temperature field calculations for a fast reactor fuel subassembly (or its part) by the finite element method is described. Isoparametric triangular elements of the second degree are used. (author)

  18. A spectral nodal method for eigenvalue S{sub N} transport problems in two-dimensional rectangular geometry for energy multigroup nuclear reactor global calculations

    Energy Technology Data Exchange (ETDEWEB)

    Silva, Davi Jose M.; Alves Filho, Hermes; Barros, Ricardo C., E-mail: davijmsilva@yahoo.com.br, E-mail: halves@iprj.uerj.br, E-mail: rcbarros@pq.cnpq.br [Universidade do Estado do Rio de Janeiro (UERJ), Nova Friburgo, RJ (Brazil). Programa de Pos-Graduacao em Modelagem Computacional

    2015-07-01

    A spectral nodal method is developed for multigroup x,y-geometry discrete ordinates (S{sub N}) eigenvalue problems for nuclear reactor global calculations. This method uses the conventional multigroup SN discretized spatial balance nodal equations with two non-standard auxiliary equations: the spectral diamond (SD) auxiliary equations for the discretization nodes inside the fuel regions, and the spectral Green's function (SGF) auxiliary equations for the non-multiplying regions, such as the baffle and the reactor. This spectral nodal method is derived from the analytical general solution of the SN transverse integrated nodal equations with constant approximations for the transverse leakage terms within each discretization node. The SD and SGF auxiliary equations have parameters, which are determined to preserve the homogeneous and the particular components of these local general solutions. Therefore, we refer to the offered method as the hybrid SD-SGF-Constant Nodal (SD-SGF-CN) method. The S{sub N} discretized spatial balance equations, together with the SD and the SGF auxiliary equations form the SD-SGF-CN equations. We solve the SD-SGF-CN equations by using the one-node block inversion inner iterations (NBI), wherein the most recent estimates for the incoming group node-edge average or prescribed boundary conditions are used to evaluate the outgoing group node-edge average fluxes in the directions of the S{sub N} transport sweeps, for each estimate of the dominant eigenvalue in the conventional Power outer iterations. We show in numerical calculations that the SD-SGF-CN method is very accurate for coarse-mesh multigroup S{sub N} eigenvalue problems, even though the transverse leakage terms are approximated rather simply. (author)

  19. A spectral nodal method for eigenvalue SN transport problems in two-dimensional rectangular geometry for energy multigroup nuclear reactor global calculations

    International Nuclear Information System (INIS)

    Silva, Davi Jose M.; Alves Filho, Hermes; Barros, Ricardo C.

    2015-01-01

    A spectral nodal method is developed for multigroup x,y-geometry discrete ordinates (S N ) eigenvalue problems for nuclear reactor global calculations. This method uses the conventional multigroup SN discretized spatial balance nodal equations with two non-standard auxiliary equations: the spectral diamond (SD) auxiliary equations for the discretization nodes inside the fuel regions, and the spectral Green's function (SGF) auxiliary equations for the non-multiplying regions, such as the baffle and the reactor. This spectral nodal method is derived from the analytical general solution of the SN transverse integrated nodal equations with constant approximations for the transverse leakage terms within each discretization node. The SD and SGF auxiliary equations have parameters, which are determined to preserve the homogeneous and the particular components of these local general solutions. Therefore, we refer to the offered method as the hybrid SD-SGF-Constant Nodal (SD-SGF-CN) method. The S N discretized spatial balance equations, together with the SD and the SGF auxiliary equations form the SD-SGF-CN equations. We solve the SD-SGF-CN equations by using the one-node block inversion inner iterations (NBI), wherein the most recent estimates for the incoming group node-edge average or prescribed boundary conditions are used to evaluate the outgoing group node-edge average fluxes in the directions of the S N transport sweeps, for each estimate of the dominant eigenvalue in the conventional Power outer iterations. We show in numerical calculations that the SD-SGF-CN method is very accurate for coarse-mesh multigroup S N eigenvalue problems, even though the transverse leakage terms are approximated rather simply. (author)

  20. Two-Dimensional Self-Propelled Fish Motion in Medium: An Integrated Method for Deforming Body Dynamics and Unsteady Fluid Dynamics

    International Nuclear Information System (INIS)

    Yan, Yang; Yong-Liang, Yu; Bing-Gang, Tong; Guan-Hao, Wu

    2008-01-01

    We present (1) the dynamical equations of deforming body and (2) an integrated method for deforming body dynamics and unsteady fluid dynamics, to investigate a modelled freely self-propelled fish. The theoretical model and practical method is applicable for studies on the general mechanics of animal locomotion such as flying in air and swimming in water, particularly of free self-propulsion. The present results behave more credibly than the previous numerical studies and are close to the experimental results, and the aligned vortices pattern is discovered in cruising swimming

  1. PMMA-Etching-Free Transfer of Wafer-scale Chemical Vapor Deposition Two-dimensional Atomic Crystal by a Water Soluble Polyvinyl Alcohol Polymer Method

    Science.gov (United States)

    van Ngoc, Huynh; Qian, Yongteng; Han, Suk Kil; Kang, Dae Joon

    2016-09-01

    We have explored a facile technique to transfer large area 2-Dimensional (2D) materials grown by chemical vapor deposition method onto various substrates by adding a water-soluble Polyvinyl Alcohol (PVA) layer between the polymethyl-methacrylate (PMMA) and the 2D material film. This technique not only allows the effective transfer to an arbitrary target substrate with a high degree of freedom, but also avoids PMMA etching thereby maintaining the high quality of the transferred 2D materials with minimum contamination. We applied this method to transfer various 2D materials grown on different rigid substrates of general interest, such as graphene on copper foil, h-BN on platinum and MoS2 on SiO2/Si. This facile transfer technique has great potential for future research towards the application of 2D materials in high performance optical, mechanical and electronic devices.

  2. Estimation of local spectrum content of cervical cancer-related features via two dimensional method of geometric restriction in frequency domain

    International Nuclear Information System (INIS)

    Van Raad, V.

    2004-01-01

    Digital colposcopy is an emerging new technology, which can be used as adjunct to the conventional Pap test for staging of cervical cancer and it can improve the diagnostic accuracy of the test. Computer aided diagnosis (CAD) in digital colposcopy has as a goal to segment and outline abnormal areas on the cervix, one of which is an important anatomical landmark on the ectocervix - the transformation zone (TZ). In this paper we proposed a new method for estimation of the local spectrum features of cervical cancer in vivo. We used a 2D method to estimate the energy of the local frequency bands, using a geometric restriction (GR). In the current work we reported up to 12 dB difference between the local power spectral density content of the region of interest (ROI) and (ROI) C for the mid-frequency band. We devised a method to present pseudo-color visual maps of the cervical images, useful for CAD and successful ROI segmentation. (author)

  3. Two-dimensional multifractal cross-correlation analysis

    International Nuclear Information System (INIS)

    Xi, Caiping; Zhang, Shuning; Xiong, Gang; Zhao, Huichang; Yang, Yonghong

    2017-01-01

    Highlights: • We study the mathematical models of 2D-MFXPF, 2D-MFXDFA and 2D-MFXDMA. • Present the definition of the two-dimensional N 2 -partitioned multiplicative cascading process. • Do the comparative analysis of 2D-MC by 2D-MFXPF, 2D-MFXDFA and 2D-MFXDMA. • Provide a reference on the choice and parameter settings of these methods in practice. - Abstract: There are a number of situations in which several signals are simultaneously recorded in complex systems, which exhibit long-term power-law cross-correlations. This paper presents two-dimensional multifractal cross-correlation analysis based on the partition function (2D-MFXPF), two-dimensional multifractal cross-correlation analysis based on the detrended fluctuation analysis (2D-MFXDFA) and two-dimensional multifractal cross-correlation analysis based on the detrended moving average analysis (2D-MFXDMA). We apply these methods to pairs of two-dimensional multiplicative cascades (2D-MC) to do a comparative study. Then, we apply the two-dimensional multifractal cross-correlation analysis based on the detrended fluctuation analysis (2D-MFXDFA) to real images and unveil intriguing multifractality in the cross correlations of the material structures. At last, we give the main conclusions and provide a valuable reference on how to choose the multifractal algorithms in the potential applications in the field of SAR image classification and detection.

  4. Mapping the Information Trace in Local Field Potentials by a Computational Method of Two-Dimensional Time-Shifting Synchronization Likelihood Based on Graphic Processing Unit Acceleration.

    Science.gov (United States)

    Zhao, Zi-Fang; Li, Xue-Zhu; Wan, You

    2017-12-01

    The local field potential (LFP) is a signal reflecting the electrical activity of neurons surrounding the electrode tip. Synchronization between LFP signals provides important details about how neural networks are organized. Synchronization between two distant brain regions is hard to detect using linear synchronization algorithms like correlation and coherence. Synchronization likelihood (SL) is a non-linear synchronization-detecting algorithm widely used in studies of neural signals from two distant brain areas. One drawback of non-linear algorithms is the heavy computational burden. In the present study, we proposed a graphic processing unit (GPU)-accelerated implementation of an SL algorithm with optional 2-dimensional time-shifting. We tested the algorithm with both artificial data and raw LFP data. The results showed that this method revealed detailed information from original data with the synchronization values of two temporal axes, delay time and onset time, and thus can be used to reconstruct the temporal structure of a neural network. Our results suggest that this GPU-accelerated method can be extended to other algorithms for processing time-series signals (like EEG and fMRI) using similar recording techniques.

  5. 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.

  6. On some classes of two-dimensional local models in discrete two-dimensional monatomic FPU lattice with cubic and quartic potential

    International Nuclear Information System (INIS)

    Quan, Xu; Qiang, Tian

    2009-01-01

    This paper discusses the two-dimensional discrete monatomic Fermi–Pasta–Ulam lattice, by using the method of multiple-scale and the quasi-discreteness approach. By taking into account the interaction between the atoms in the lattice and their nearest neighbours, it obtains some classes of two-dimensional local models as follows: two-dimensional bright and dark discrete soliton trains, two-dimensional bright and dark line discrete breathers, and two-dimensional bright and dark discrete breather. (condensed matter: structure, thermal and mechanical properties)

  7. Elaboration of a computer code for the solution of a two-dimensional two-energy group diffusion problem using the matrix response method

    International Nuclear Information System (INIS)

    Alvarenga, M.A.B.

    1980-12-01

    An analytical procedure to solve the neutron diffusion equation in two dimensions and two energy groups was developed. The response matrix method was used coupled with an expansion of the neutron flux in finite Fourier series. A computer code 'MRF2D' was elaborated to implement the above mentioned procedure for PWR reactor core calculations. Different core symmetry options are allowed by the code, which is also flexible enough to allow for improvements by means of algorithm optimization. The code performance was compared with a corner mesh finite difference code named TVEDIM by using a International Atomic Energy Agency (IAEA) standard problem. Computer processing time 12,7% smaller is required by the MRF2D code to reach the same precision on criticality eigenvalue. (Author) [pt

  8. Two-dimensional analytic weighting functions for limb scattering

    Science.gov (United States)

    Zawada, D. J.; Bourassa, A. E.; Degenstein, D. A.

    2017-10-01

    Through the inversion of limb scatter measurements it is possible to obtain vertical profiles of trace species in the atmosphere. Many of these inversion methods require what is often referred to as weighting functions, or derivatives of the radiance with respect to concentrations of trace species in the atmosphere. Several radiative transfer models have implemented analytic methods to calculate weighting functions, alleviating the computational burden of traditional numerical perturbation methods. Here we describe the implementation of analytic two-dimensional weighting functions, where derivatives are calculated relative to atmospheric constituents in a two-dimensional grid of altitude and angle along the line of sight direction, in the SASKTRAN-HR radiative transfer model. Two-dimensional weighting functions are required for two-dimensional inversions of limb scatter measurements. Examples are presented where the analytic two-dimensional weighting functions are calculated with an underlying one-dimensional atmosphere. It is shown that the analytic weighting functions are more accurate than ones calculated with a single scatter approximation, and are orders of magnitude faster than a typical perturbation method. Evidence is presented that weighting functions for stratospheric aerosols calculated under a single scatter approximation may not be suitable for use in retrieval algorithms under solar backscatter conditions.

  9. Piezoelectricity in Two-Dimensional Materials

    KAUST Repository

    Wu, Tao; Zhang, Hua

    2015-01-01

    Powering up 2D materials: Recent experimental studies confirmed the existence of piezoelectricity - the conversion of mechanical stress into electricity - in two-dimensional single-layer MoS2 nanosheets. The results represent a milestone towards

  10. Chiral anomaly, fermionic determinant and two dimensional models

    International Nuclear Information System (INIS)

    Rego Monteiro, M.A. do.

    1985-01-01

    The chiral anomaly in random pair dimension is analysed. This anomaly is perturbatively calculated by dimensional regularization method. A new method for non-perturbative Jacobian calculation of a general chiral transformation, 1.e., finite and non-Abelian, is developed. This method is used for non-perturbative chiral anomaly calculation, as an alternative to bosonization of two-dimensional theories for massless fermions and to study the phenomenum of fermion number fractionalization. The fermionic determinant from two-dimensional quantum chromodynamics is also studied, and calculated, exactly, as in decoupling gauge as with out reference to a particular gauge. (M.C.K.) [pt

  11. Phase transitions in two-dimensional systems

    International Nuclear Information System (INIS)

    Salinas, S.R.A.

    1983-01-01

    Some experiences are related using synchrotron radiation beams, to characterize solid-liquid (fusion) and commensurate solid-uncommensurate solid transitions in two-dimensional systems. Some ideas involved in the modern theories of two-dimensional fusion are shortly exposed. The systems treated consist of noble gases (Kr,Ar,Xe) adsorbed in the basal plane of graphite and thin films formed by some liquid crystal shells. (L.C.) [pt

  12. Control Operator for the Two-Dimensional Energized Wave Equation

    Directory of Open Access Journals (Sweden)

    Sunday Augustus REJU

    2006-07-01

    Full Text Available This paper studies the analytical model for the construction of the two-dimensional Energized wave equation. The control operator is given in term of space and time t independent variables. The integral quadratic objective cost functional is subject to the constraint of two-dimensional Energized diffusion, Heat and a source. The operator that shall be obtained extends the Conjugate Gradient method (ECGM as developed by Hestenes et al (1952, [1]. The new operator enables the computation of the penalty cost, optimal controls and state trajectories of the two-dimensional energized wave equation when apply to the Conjugate Gradient methods in (Waziri & Reju, LEJPT & LJS, Issues 9, 2006, [2-4] to appear in this series.

  13. Rapid NMR method for the quantification of organic compounds in thin stillage.

    Science.gov (United States)

    Ratanapariyanuch, Kornsulee; Shen, Jianheng; Jia, Yunhua; Tyler, Robert T; Shim, Youn Young; Reaney, Martin J T

    2011-10-12

    Thin stillage contains organic and inorganic compounds, some of which may be valuable fermentation coproducts. This study describes a thorough analysis of the major solutes present in thin stillage as revealed by NMR and HPLC. The concentration of charged and neutral organic compounds in thin stillage was determined by excitation sculpting NMR methods (double pulse field gradient spin echo). Compounds identified by NMR included isopropanol, ethanol, lactic acid, 1,3-propanediol, acetic acid, succinic acid, glycerophosphorylcholine, betaine, glycerol, and 2-phenylethanol. The concentrations of lactic and acetic acid determined with NMR were comparable to those determined using HPLC. HPLC and NMR were complementary, as more compounds were identified using both methods. NMR analysis revealed that stillage contained the nitrogenous organic compounds betaine and glycerophosphorylcholine, which contributed as much as 24% of the nitrogen present in the stillage. These compounds were not observed by HPLC analysis.

  14. Two-dimensional molecular line transfer for a cometary coma

    Science.gov (United States)

    Szutowicz, S.

    2017-09-01

    In the proposed axisymmetric model of the cometary coma the gas density profile is described by an angular density function. Three methods for treating two-dimensional radiative transfer are compared: the Large Velocity Gradient (LVG) (the Sobolev method), Accelerated Lambda Iteration (ALI) and accelerated Monte Carlo (MC).

  15. Bayesian approach for peak detection in two-dimensional chromatography

    NARCIS (Netherlands)

    Vivó-Truyols, G.

    2012-01-01

    A new method for peak detection in two-dimensional chromatography is presented. In a first step, the method starts with a conventional one-dimensional peak detection algorithm to detect modulated peaks. In a second step, a sophisticated algorithm is constructed to decide which of the individual

  16. Accelerating two-dimensional nuclear magnetic resonance correlation spectroscopy via selective coherence transfer

    Science.gov (United States)

    Ye, Qimiao; Chen, Lin; Qiu, Wenqi; Lin, Liangjie; Sun, Huijun; Cai, Shuhui; Wei, Zhiliang; Chen, Zhong

    2017-01-01

    Nuclear magnetic resonance (NMR) spectroscopy serves as an important tool for both qualitative and quantitative analyses of various systems in chemistry, biology, and medicine. However, applications of one-dimensional 1H NMR are often restrained by the presence of severe overlap among different resonances. The advent of two-dimensional (2D) 1H NMR constitutes a promising alternative by extending the crowded resonances into a plane and thereby alleviating the spectral congestions. However, the enhanced ability in discriminating resonances is achieved at the cost of extended experimental duration due to necessity of various scans with progressive delays to construct the indirect dimension. Therefore, in this study, we propose a selective coherence transfer (SECOT) method to accelerate acquisitions of 2D correlation spectroscopy by converting chemical shifts into spatial positions within the effective sample length and then performing an echo planar spectroscopic imaging module to record the spatial and spectral information, which generates 2D correlation spectrum after 2D Fourier transformation. The feasibility and effectiveness of SECOT have been verified by a set of experiments under both homogeneous and inhomogeneous magnetic fields. Moreover, evaluations of SECOT for quantitative analyses are carried out on samples with a series of different concentrations. Based on these experimental results, the SECOT may open important perspectives for fast, accurate, and stable investigations of various chemical systems both qualitatively and quantitatively.

  17. Two-dimensional topological photonic systems

    Science.gov (United States)

    Sun, Xiao-Chen; He, Cheng; Liu, Xiao-Ping; Lu, Ming-Hui; Zhu, Shi-Ning; Chen, Yan-Feng

    2017-09-01

    The topological phase of matter, originally proposed and first demonstrated in fermionic electronic systems, has drawn considerable research attention in the past decades due to its robust transport of edge states and its potential with respect to future quantum information, communication, and computation. Recently, searching for such a unique material phase in bosonic systems has become a hot research topic worldwide. So far, many bosonic topological models and methods for realizing them have been discovered in photonic systems, acoustic systems, mechanical systems, etc. These discoveries have certainly yielded vast opportunities in designing material phases and related properties in the topological domain. In this review, we first focus on some of the representative photonic topological models and employ the underlying Dirac model to analyze the edge states and geometric phase. On the basis of these models, three common types of two-dimensional topological photonic systems are discussed: 1) photonic quantum Hall effect with broken time-reversal symmetry; 2) photonic topological insulator and the associated pseudo-time-reversal symmetry-protected mechanism; 3) time/space periodically modulated photonic Floquet topological insulator. Finally, we provide a summary and extension of this emerging field, including a brief introduction to the Weyl point in three-dimensional systems.

  18. Dynamical class of a two-dimensional plasmonic Dirac system.

    Science.gov (United States)

    Silva, Érica de Mello

    2015-10-01

    A current goal in plasmonic science and technology is to figure out how to manage the relaxational dynamics of surface plasmons in graphene since its damping constitutes a hinder for the realization of graphene-based plasmonic devices. In this sense we believe it might be of interest to enlarge the knowledge on the dynamical class of two-dimensional plasmonic Dirac systems. According to the recurrence relations method, different systems are said to be dynamically equivalent if they have identical relaxation functions at all times, and such commonality may lead to deep connections between seemingly unrelated physical systems. We employ the recurrence relations approach to obtain relaxation and memory functions of density fluctuations and show that a two-dimensional plasmonic Dirac system at long wavelength and zero temperature belongs to the same dynamical class of standard two-dimensional electron gas and classical harmonic oscillator chain with an impurity mass.

  19. Quality evaluation of Hypericum ascyron extract by two-dimensional high-performance liquid chromatography coupled with the colorimetric 3-(4,5-dimethylthiazol-2-yl)-2,5-diphenyltetrazolium bromide method.

    Science.gov (United States)

    Li, Xiu-Mei; Luo, Xue-Gang; Zhang, Chao-Zheng; Wang, Nan; Zhang, Tong-Cun

    2015-02-01

    In this paper, a heart-cutting two-dimensional high-performance liquid chromatography coupled with the 3-(4,5-dimethylthiazol-2-yl)-2,5-diphenyltetrazolium bromide (MTT) method was established for controlling the quality of different batches of Hypericum ascyron extract for the first time. In comparison with the common one-dimensional fingerprint, the second-dimensional fingerprint compiled additional spectral data and was hence more informative. The quality of H. ascyron extract was further evaluated by similarity measures and the same results were achieved, the correlation coefficients of the similarity of ten batches of H. ascyron extract were >0.99. Furthermore, we also evaluated the quality of the ten batches of H. ascyron extract by antibacterial activity. The result demonstrated that the quality of the ten batches of H. ascyron extract was not significantly different by MTT. Finally, we demonstrated that the second-dimensional fingerprint coupled with the MTT method was a more powerful tool to characterize the quality of samples of batch to batch. Therefore the proposed method could be used to comprehensively conduct the quality control of traditional Chinese medicines. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  20. Fast Computation Methods Research for Two Dimensional MUSIC Spectrum Based on Circular Array%圆阵二维 MUSIC 谱快速计算方法研究

    Institute of Scientific and Technical Information of China (English)

    杜政东; 魏平; 赵菲; 尹文禄

    2015-01-01

    针对二维波达方向估计时 MUSIC 谱的快速计算问题,研究了均匀圆阵变换到虚拟线阵的 MUSIC 算法(UCA-ULA-MUSIC)、流形分离 MUSIC 算法(MS-MUSIC)、傅立叶域线性求根 MUSIC 算法(FD-Line-Search-MU-SIC)、基于 FFT 的2n 元均匀圆阵 MUSIC 算法(2n-UCA-FFT-MUSIC)与基于 FFT 的任意圆阵 MUSIC 算法(ACA-FFT-MUSIC)。对各种算法快速计算二维 MUSIC 谱的实现步骤进行了总结。在此基础上,给出了各算法计算二维MUSIC 谱的计算复杂度表达式,并以传统方法为参考,对比了各种快速算法相对于传统方法的计算复杂度比值;同时,针对不同的阵列形式,对适用的快速算法的测向性能进行了仿真对比。根据分析和对比的结果,指出 MS-MUSIC 算法与 ACA-FFT-MUSIC 算法具有更高的工程应用价值,由具体的情况单独或分频段联合使用 MS-MUSIC算法与 ACA-FFT-MUSIC 算法,可以使测向系统较好的兼顾测向性能与时效性。%According to the fast computation problem of MUSIC spectrum in two dimensional direction of arrival estimation, the fast algorithms by manifold transformation or spectrum function transformation are studied.The implementation steps of computation method for two dimensional MUSIC spectrum by these algorithms are summarized.Furthermore,expressions for computational complexity of discussed algorithms in computing two dimensional MUSIC spectrum are presented.With refer-ence to the conventional method,the ratio of computational complexity of discussed algorithms is compared.Meanwhile,for different circular arrays,the direction finding performance of applicable algorithms is compared by simulation.It is proved that the MUSIC algorithm based on Manifold Separation (MS-MUSIC)and Fast Fourier Transformation (FFT)which suits to arbitrary circular array (ACA-FFT-MUSIC)have higher engineering value according to the results of analysis and com-parison.The performance and

  1. Equivalence of two-dimensional gravities

    International Nuclear Information System (INIS)

    Mohammedi, N.

    1990-01-01

    The authors find the relationship between the Jackiw-Teitelboim model of two-dimensional gravity and the SL(2,R) induced gravity. These are shown to be related to a two-dimensional gauge theory obtained by dimensionally reducing the Chern-Simons action of the 2 + 1 dimensional gravity. The authors present an explicit solution to the equations of motion of the auxiliary field of the Jackiw-Teitelboim model in the light-cone gauge. A renormalization of the cosmological constant is also given

  2. NMRKIN: Simulating line shapes from two-dimensional spectra of proteins upon ligand binding

    International Nuclear Information System (INIS)

    Guenther, Ulrich L.; Schaffhausen, Brian

    2002-01-01

    The analysis of the shape of signals in NMR spectra is a powerful tool to study exchange and reaction kinetics. Line shapes in two-dimensional spectra of proteins recorded for titrations with ligands provide information about binding rates observed at individual residues. Here we describe a fast method to simulate a series of line shapes derived from two-dimensional spectra of a protein during a ligand titration. This procedure, which takes the mutual effects of two dimensions into account, has been implemented in MATLAB as an add-on to NMRLab (Guenther et al., 2000). In addition, more complex kinetic models, including sequential and parallel reactions, were simulated to demonstrate common features of more complex line shapes which could be encountered in protein-ligand interactions. As an example of this method, we describe its application to line shapes obtained for a titration of the p85 N-SH2 domain of PI3-kinase with a peptide derived from polyomavirus middle T antigen (MT)

  3. Level crossings in complex two-dimensional potentials

    Indian Academy of Sciences (India)

    Two-dimensional P T -symmetric quantum-mechanical systems with the complex cubic potential 12 = 2 + 2 + 2 and the complex Hénon–Heiles potential HH = 2 + 2 + (2 − 3/3) are investigated. Using numerical and perturbative methods, energy spectra are obtained to high levels. Although both ...

  4. Complex dynamical invariants for two-dimensional complex potentials

    Indian Academy of Sciences (India)

    Abstract. Complex dynamical invariants are searched out for two-dimensional complex poten- tials using rationalization method within the framework of an extended complex phase space characterized by x = x1 + ip3, y = x2 + ip4, px = p1 + ix3, py = p2 + ix4. It is found that the cubic oscillator and shifted harmonic oscillator ...

  5. Two-dimensional profiling of Xanthomonas campestris pv. viticola ...

    African Journals Online (AJOL)

    However, the analysis of the 2D-PAGE gel images revealed a larger number of spots in the lysis method when compared to the others. Taking ... Keywords: Bacterial canker, Vitis vinifera, proteomics, sodium dodecyl sulfate polyacrylamide gel electrophoresis (SDS-PAGE), two-dimensional gel electrophoresis (2D-PAGE).

  6. Two-dimensional interpolation with experimental data smoothing

    International Nuclear Information System (INIS)

    Trejbal, Z.

    1989-01-01

    A method of two-dimensional interpolation with smoothing of time statistically deflected points is developed for processing of magnetic field measurements at the U-120M field measurements at the U-120M cyclotron. Mathematical statement of initial requirements and the final result of relevant algebraic transformations are given. 3 refs

  7. Transient two-dimensional flow in porous media

    International Nuclear Information System (INIS)

    Sharpe, L. Jr.

    1979-01-01

    The transient flow of an isothermal ideal gas from the cavity formed by an underground nuclear explosion is investigated. A two-dimensional finite element method is used in analyzing the gas flow. Numerical results of the pressure distribution are obtained for both the stemming column and the surrounding porous media

  8. Two-dimensional gel electrophoresis analysis of different parts of ...

    African Journals Online (AJOL)

    Two-dimensional gel electrophoresis analysis of different parts of Panax quinquefolius L. root. ... From these results it was concluded that proteomic analysis method was an effective way to identify the different parts of quinquefolius L. root. These findings may contribute to further understanding of the physiological ...

  9. NMR system and method having a permanent magnet providing a rotating magnetic field

    Science.gov (United States)

    Schlueter, Ross D [Berkeley, CA; Budinger, Thomas F [Berkeley, CA

    2009-05-19

    Disclosed herein are systems and methods for generating a rotating magnetic field. The rotating magnetic field can be used to obtain rotating-field NMR spectra, such as magic angle spinning spectra, without having to physically rotate the sample. This result allows magic angle spinning NMR to be conducted on biological samples such as live animals, including humans.

  10. Analytical simulation of two dimensional advection dispersion ...

    African Journals Online (AJOL)

    The study was designed to investigate the analytical simulation of two dimensional advection dispersion equation of contaminant transport. The steady state flow condition of the contaminant transport where inorganic contaminants in aqueous waste solutions are disposed of at the land surface where it would migrate ...

  11. Analytical Simulation of Two Dimensional Advection Dispersion ...

    African Journals Online (AJOL)

    ADOWIE PERE

    ABSTRACT: The study was designed to investigate the analytical simulation of two dimensional advection dispersion equation of contaminant transport. The steady state flow condition of the contaminant transport where inorganic contaminants in aqueous waste solutions are disposed of at the land surface where it would ...

  12. Sums of two-dimensional spectral triples

    DEFF Research Database (Denmark)

    Christensen, Erik; Ivan, Cristina

    2007-01-01

    construct a sum of two dimensional modules which reflects some aspects of the topological dimensions of the compact metric space, but this will only give the metric back approximately. At the end we make an explicit computation of the last module for the unit interval in. The metric is recovered exactly...

  13. Stability of two-dimensional vorticity filaments

    International Nuclear Information System (INIS)

    Elhmaidi, D.; Provenzale, A.; Lili, T.; Babiano, A.

    2004-01-01

    We discuss the results of a numerical study on the stability of two-dimensional vorticity filaments around a circular vortex. We illustrate how the stability of the filaments depends on the balance between the strain associated with the far field of the vortex and the local vorticity of the filament, and we discuss an empirical criterion for filament stability

  14. Two-Dimensional Motions of Rockets

    Science.gov (United States)

    Kang, Yoonhwan; Bae, Saebyok

    2007-01-01

    We analyse the two-dimensional motions of the rockets for various types of rocket thrusts, the air friction and the gravitation by using a suitable representation of the rocket equation and the numerical calculation. The slope shapes of the rocket trajectories are discussed for the three types of rocket engines. Unlike the projectile motions, the…

  15. Two-dimensional microstrip detector for neutrons

    Energy Technology Data Exchange (ETDEWEB)

    Oed, A [Institut Max von Laue - Paul Langevin (ILL), 38 - Grenoble (France)

    1997-04-01

    Because of their robust design, gas microstrip detectors, which were developed at ILL, can be assembled relatively quickly, provided the prefabricated components are available. At the beginning of 1996, orders were received for the construction of three two-dimensional neutron detectors. These detectors have been completed. The detectors are outlined below. (author). 2 refs.

  16. Conformal invariance and two-dimensional physics

    International Nuclear Information System (INIS)

    Zuber, J.B.

    1993-01-01

    Actually, physicists and mathematicians are very interested in conformal invariance: geometric transformations which keep angles. This symmetry is very important for two-dimensional systems as phase transitions, string theory or node mathematics. In this article, the author presents the conformal invariance and explains its usefulness

  17. Matching Two-dimensional Gel Electrophoresis' Spots

    DEFF Research Database (Denmark)

    Dos Anjos, António; AL-Tam, Faroq; Shahbazkia, Hamid Reza

    2012-01-01

    This paper describes an approach for matching Two-Dimensional Electrophoresis (2-DE) gels' spots, involving the use of image registration. The number of false positive matches produced by the proposed approach is small, when compared to academic and commercial state-of-the-art approaches. This ar...

  18. Two-dimensional membranes in motion

    NARCIS (Netherlands)

    Davidovikj, D.

    2018-01-01

    This thesis revolves around nanomechanical membranes made of suspended two - dimensional materials. Chapters 1-3 give an introduction to the field of 2D-based nanomechanical devices together with an overview of the underlying physics and the measurementtools used in subsequent chapters. The research

  19. Extended Polymorphism of Two-Dimensional Material

    NARCIS (Netherlands)

    Yoshida, Masaro; Ye, Jianting; Zhang, Yijin; Imai, Yasuhiko; Kimura, Shigeru; Fujiwara, Akihiko; Nishizaki, Terukazu; Kobayashi, Norio; Nakano, Masaki; Iwasa, Yoshihiro

    When controlling electronic properties of bulk materials, we usually assume that the basic crystal structure is fixed. However, in two-dimensional (2D) materials, atomic structure or to functionalize their properties. Various polymorphs can exist in transition metal dichalcogenides (TMDCs) from

  20. Piezoelectricity in Two-Dimensional Materials

    KAUST Repository

    Wu, Tao

    2015-02-25

    Powering up 2D materials: Recent experimental studies confirmed the existence of piezoelectricity - the conversion of mechanical stress into electricity - in two-dimensional single-layer MoS2 nanosheets. The results represent a milestone towards embedding low-dimensional materials into future disruptive technologies. © 2015 Wiley-VCH Verlag GmbH & Co. KGaA.

  1. Comparative proteomic analysis of the ribosomes in 5-fluorouracil resistance of a human colon cancer cell line using the radical-free and highly reducing method of two-dimensional polyacrylamide gel electrophoresis.

    Science.gov (United States)

    Kimura, Kosei; Wada, Akira; Ueta, Masami; Ogata, Akihiko; Tanaka, Satoru; Sakai, Akiko; Yoshida, Hideji; Fushitani, Hideo; Miyamoto, Akiko; Fukushima, Masakazu; Uchiumi, Toshio; Tanigawa, Nobuhiko

    2010-11-01

    Many auxiliary functions of ribosomal proteins (r-proteins) have received considerable attention in recent years. However, human r-proteins have hardly been examined by proteomic analysis. In this study, we isolated ribosomal particles and subsequently compared the proteome of r-proteins between the DLD-1 human colon cancer cell line and its 5-fluorouracil (5-FU)-resistant sub-line, DLD-1/5-FU, using the radical-free and highly reducing method of two-dimensional polyacrylamide gel electrophoresis, which has a superior ability to separate basic proteins, and we discuss the role of r-proteins in 5-FU resistance. Densitometric analysis was performed to quantify modulated proteins, and protein spots showing significant changes were identified by employing matrix-assisted laser desorption/ionization time-of-flight/time-of-flight mass spectrometry. Three basic proteins (L15, L37 and prohibitin) which were significantly modulated between DLD-1 and DLD-1/5-FU were identified. Two proteins, L15 and L37, showed down-regulated expression in DLD-1/5-FU in comparison to DLD-1. Prohibitin, which is not an r-protein and is known to be localized in the mitochondria, showed up-regulated expression in DLD-1/5-FU. These 3 proteins may be related to 5-FU resistance.

  2. Interpreting the cross-sectional flow field in a river bank based on a genetic-algorithm two-dimensional heat-transport method (GA-VS2DH)

    Science.gov (United States)

    Su, Xiaoru; Shu, Longcang; Chen, Xunhong; Lu, Chengpeng; Wen, Zhonghui

    2016-12-01

    Interactions between surface waters and groundwater are of great significance for evaluating water resources and protecting ecosystem health. Heat as a tracer method is widely used in determination of the interactive exchange with high precision, low cost and great convenience. The flow in a river-bank cross-section occurs in vertical and lateral directions. In order to depict the flow path and its spatial distribution in bank areas, a genetic algorithm (GA) two-dimensional (2-D) heat-transport nested-loop method for variably saturated sediments, GA-VS2DH, was developed based on Microsoft Visual Basic 6.0. VS2DH was applied to model a 2-D bank-water flow field and GA was used to calibrate the model automatically by minimizing the difference between observed and simulated temperatures in bank areas. A hypothetical model was developed to assess the reliability of GA-VS2DH in inverse modeling in a river-bank system. Some benchmark tests were conducted to recognize the capability of GA-VS2DH. The results indicated that the simulated seepage velocity and parameters associated with GA-VS2DH were acceptable and reliable. Then GA-VS2DH was applied to two field sites in China with different sedimentary materials, to verify the reliability of the method. GA-VS2DH could be applied in interpreting the cross-sectional 2-D water flow field. The estimates of horizontal hydraulic conductivity at the Dawen River and Qinhuai River sites are 1.317 and 0.015 m/day, which correspond to sand and clay sediment in the two sites, respectively.

  3. Approximate solutions for the two-dimensional integral transport equation. Solution of complex two-dimensional transport problems

    International Nuclear Information System (INIS)

    Sanchez, Richard.

    1980-11-01

    This work is divided into two parts: the first part deals with the solution of complex two-dimensional transport problems, the second one (note CEA-N-2166) treats the critically mixed methods of resolution. A set of approximate solutions for the isotropic two-dimensional neutron transport problem has been developed using the interface current formalism. The method has been applied to regular lattices of rectangular cells containing a fuel pin, cladding, and water, or homogenized structural material. The cells are divided into zones that are homogeneous. A zone-wise flux expansion is used to formulate a direct collision probability problem within a cell. The coupling of the cells is effected by making extra assumptions on the currents entering and leaving the interfaces. Two codes have been written: CALLIOPE uses a cylindrical cell model and one or three terms for the flux expansion, and NAUSICAA uses a two-dimensional flux representation and does a truly two-dimensional calculation inside each cell. In both codes, one or three terms can be used to make a space-independent expansion of the angular fluxes entering and leaving each side of the cell. The accuracies and computing times achieved with the different approximations are illustrated by numerical studies on two benchmark problems and by calculations performed in the APOLLO multigroup code [fr

  4. Two-dimensional confinement of heavy fermions

    International Nuclear Information System (INIS)

    Shishido, Hiroaki; Shibauchi, Takasada; Matsuda, Yuji; Terashima, Takahito

    2010-01-01

    Metallic systems with the strongest electron correlations are realized in certain rare-earth and actinide compounds whose physics are dominated by f-electrons. These materials are known as heavy fermions, so called because the effective mass of the conduction electrons is enhanced via correlation effects up to as much as several hundreds times the free electron mass. To date the electronic structure of all heavy-fermion compounds is essentially three-dimensional. Here we report on the first realization of a two-dimensional heavy-fermion system, where the dimensionality is adjusted in a controllable fashion by fabricating heterostructures using molecular beam epitaxy. The two-dimensional heavy fermion system displays striking deviations from the standard Fermi liquid low-temperature electronic properties. (author)

  5. Two-dimensional sensitivity calculation code: SENSETWO

    International Nuclear Information System (INIS)

    Yamauchi, Michinori; Nakayama, Mitsuo; Minami, Kazuyoshi; Seki, Yasushi; Iida, Hiromasa.

    1979-05-01

    A SENSETWO code for the calculation of cross section sensitivities with a two-dimensional model has been developed, on the basis of first order perturbation theory. It uses forward neutron and/or gamma-ray fluxes and adjoint fluxes obtained by two-dimensional discrete ordinates code TWOTRAN-II. The data and informations of cross sections, geometry, nuclide density, response functions, etc. are transmitted to SENSETWO by the dump magnetic tape made in TWOTRAN calculations. The required input for SENSETWO calculations is thus very simple. The SENSETWO yields as printed output the cross section sensitivities for each coarse mesh zone and for each energy group, as well as the plotted output of sensitivity profiles specified by the input. A special feature of the code is that it also calculates the reaction rate with the response function used as the adjoint source in TWOTRAN adjoint calculation and the calculated forward flux from the TWOTRAN forward calculation. (author)

  6. Two-dimensional ranking of Wikipedia articles

    Science.gov (United States)

    Zhirov, A. O.; Zhirov, O. V.; Shepelyansky, D. L.

    2010-10-01

    The Library of Babel, described by Jorge Luis Borges, stores an enormous amount of information. The Library exists ab aeterno. Wikipedia, a free online encyclopaedia, becomes a modern analogue of such a Library. Information retrieval and ranking of Wikipedia articles become the challenge of modern society. While PageRank highlights very well known nodes with many ingoing links, CheiRank highlights very communicative nodes with many outgoing links. In this way the ranking becomes two-dimensional. Using CheiRank and PageRank we analyze the properties of two-dimensional ranking of all Wikipedia English articles and show that it gives their reliable classification with rich and nontrivial features. Detailed studies are done for countries, universities, personalities, physicists, chess players, Dow-Jones companies and other categories.

  7. Confined catalysis under two-dimensional materials

    OpenAIRE

    Li, Haobo; Xiao, Jianping; Fu, Qiang; Bao, Xinhe

    2017-01-01

    Small spaces in nanoreactors may have big implications in chemistry, because the chemical nature of molecules and reactions within the nanospaces can be changed significantly due to the nanoconfinement effect. Two-dimensional (2D) nanoreactor formed under 2D materials can provide a well-defined model system to explore the confined catalysis. We demonstrate a general tendency for weakened surface adsorption under the confinement of graphene overlayer, illustrating the feasible modulation of su...

  8. Superintegrability on the two dimensional hyperboloid

    International Nuclear Information System (INIS)

    Akopyan, E.; Pogosyan, G.S.; Kalnins, E.G.; Miller, W. Jr

    1998-01-01

    This work is devoted to the investigation of the quantum mechanical systems on the two dimensional hyperboloid which admit separation of variables in at least two coordinate systems. Here we consider two potentials introduced in a paper of C.P.Boyer, E.G.Kalnins and P.Winternitz, which haven't been studied yet. An example of an interbasis expansion is given and the structure of the quadratic algebra generated by the integrals of motion is carried out

  9. Mechanical exfoliation of two-dimensional materials

    Science.gov (United States)

    Gao, Enlai; Lin, Shao-Zhen; Qin, Zhao; Buehler, Markus J.; Feng, Xi-Qiao; Xu, Zhiping

    2018-06-01

    Two-dimensional materials such as graphene and transition metal dichalcogenides have been identified and drawn much attention over the last few years for their unique structural and electronic properties. However, their rise begins only after these materials are successfully isolated from their layered assemblies or adhesive substrates into individual monolayers. Mechanical exfoliation and transfer are the most successful techniques to obtain high-quality single- or few-layer nanocrystals from their native multi-layer structures or their substrate for growth, which involves interfacial peeling and intralayer tearing processes that are controlled by material properties, geometry and the kinetics of exfoliation. This procedure is rationalized in this work through theoretical analysis and atomistic simulations. We propose a criterion to assess the feasibility for the exfoliation of two-dimensional sheets from an adhesive substrate without fracturing itself, and explore the effects of material and interface properties, as well as the geometrical, kinetic factors on the peeling behaviors and the torn morphology. This multi-scale approach elucidates the microscopic mechanism of the mechanical processes, offering predictive models and tools for the design of experimental procedures to obtain single- or few-layer two-dimensional materials and structures.

  10. Two-dimensional silica opens new perspectives

    Science.gov (United States)

    Büchner, Christin; Heyde, Markus

    2017-12-01

    In recent years, silica films have emerged as a novel class of two-dimensional (2D) materials. Several groups succeeded in epitaxial growth of ultrathin SiO2 layers using different growth methods and various substrates. The structures consist of tetrahedral [SiO4] building blocks in two mirror symmetrical planes, connected via oxygen bridges. This arrangement is called a silica bilayer as it is the thinnest 2D arrangement with the stoichiometry SiO2 known today. With all bonds saturated within the nano-sheet, the interaction with the substrate is based on van der Waals forces. Complex ring networks are observed, including hexagonal honeycomb lattices, point defects and domain boundaries, as well as amorphous domains. The network structures are highly tuneable through variation of the substrate, deposition parameters, cooling procedure, introducing dopants or intercalating small species. The amorphous networks and structural defects were resolved with atomic resolution microscopy and modeled with density functional theory and molecular dynamics. Such data contribute to our understanding of the formation and characteristic motifs of glassy systems. Growth studies and doping with other chemical elements reveal ways to tune ring sizes and defects as well as chemical reactivities. The pristine films have been utilized as molecular sieves and for confining molecules in nanocatalysis. Post growth hydroxylation can be used to tweak the reactivity as well. The electronic properties of silica bilayers are favourable for using silica as insulators in 2D material stacks. Due to the fully saturated atomic structure, the bilayer interacts weakly with the substrate and can be described as quasi-freestanding. Recently, a mm-scale film transfer under structure retention has been demonstrated. The chemical and mechanical stability of silica bilayers is very promising for technological applications in 2D heterostacks. Due to the impact of this bilayer system for glass science

  11. Expression of Raf kinase inhibitor protein in human hepatoma tissues by two-dimensional gel electrophoresis and matrix-assisted laser desorption/ionization time-of-flight methods.

    Science.gov (United States)

    Tsao, D A; Shiau, Y F; Tseng, C S; Chang, H R

    2016-01-01

    Hepatocellular carcinoma (HCC) is the most common malignant liver tumor. To reduce the mortality and improve the effectiveness of therapy, it is important to search for changes in tumor-specific biomarkers whose function may involve in disease progression and which may be useful as potential therapeutic targets. Materials and Mehtods: In this study, we use two-dimensional polyacrylamide gel electrophoresis (2-DE) and matrix-assisted laser desorption/ionization time-of-flight mass spectrometry to observe proteome alterations of 12 tissue pairs isolated from HCC patients: Normal and tumorous tissue. Comparing the tissue types with each other, 40 protein spots corresponding to fifteen differentially expressed between normal and cancer part of HCC patients. Raf kinase inhibitor protein (RKIP), an inhibitor of Raf-mediated activation of mitogen-activated protein kinase/extracellular signal-regulated kinase, may play an important role in cancer metastasis and cell proliferation and migration of human hepatoma cells. RKIP may be considered as a marker for HCC, because its expression level changes considerably in HCC compared with normal tissue. In addition, we used the methods of Western blotting and real time-polymerase chain reaction to analysis the protein expression and gene expression of RKIP. The result showed RKIP protein and gene expression in tumor part liver tissues of HCC patient is lower than peritumorous non-neoplastic liver tissue of the corresponding HCC samples. These results strongly suggest that RKIP may be considered to be a marker for HCC and RKIP are down-regulated in liver cancer cell.

  12. Thresholding using two-dimensional histogram and watershed algorithm in the luggage inspection system

    International Nuclear Information System (INIS)

    Chen Jingyun; Cong Peng; Song Qi

    2006-01-01

    The authors present a new DR image segmentation method based on two-dimensional histogram and watershed algorithm. The authors use watershed algorithm to locate threshold on the vertical projection plane of two-dimensional histogram. This method is applied to the segmentation of DR images produced by luggage inspection system with DR-CT. The advantage of this method is also analyzed. (authors)

  13. Tunable states of interlayer cations in two-dimensional materials

    International Nuclear Information System (INIS)

    Sato, K.; Numata, K.; Dai, W.; Hunger, M.

    2014-01-01

    The local state of cations inside the Ångstrom-scale interlayer spaces is one of the controlling factors for designing sophisticated two-dimensional (2D) materials consisting of 2D nanosheets. In the present work, the molecular mechanism on how the interlayer cation states are induced by the local structures of the 2D nanosheets is highlighted. For this purpose, the local states of Na cations in inorganic 2D materials, in which the compositional fluctuations of a few percent are introduced in the tetrahedral and octahedral units of the 2D nanosheets, were systematically studied by means of 23 Na magic-angle-spinning (MAS) nuclear magnetic resonance (NMR) and 23 Na multiple-quantum MAS (MQMAS) NMR spectroscopy. In contrast with an uniform distribution of Na cations expected so far, various well-defined cation states sensitive to the local structures of the 2D nanosheets were identified. The tunability of the interlayer cation states along with the local structure of the 2D nanosheets, as the smallest structural unit of the 2D material, is discussed

  14. Tunable states of interlayer cations in two-dimensional materials

    Energy Technology Data Exchange (ETDEWEB)

    Sato, K.; Numata, K. [Department of Environmental Sciences, Tokyo Gakugei University, Koganei, Tokyo 184-8501 (Japan); Dai, W. [Key Laboratory of Advanced Energy Materials Chemistry (Ministry of Education), College of Chemistry, Nankai University, Tianjin 300071 (China); Hunger, M. [Institute of Chemical Technology, University of Stuttgart, 70550 Stuttgart (Germany)

    2014-03-31

    The local state of cations inside the Ångstrom-scale interlayer spaces is one of the controlling factors for designing sophisticated two-dimensional (2D) materials consisting of 2D nanosheets. In the present work, the molecular mechanism on how the interlayer cation states are induced by the local structures of the 2D nanosheets is highlighted. For this purpose, the local states of Na cations in inorganic 2D materials, in which the compositional fluctuations of a few percent are introduced in the tetrahedral and octahedral units of the 2D nanosheets, were systematically studied by means of {sup 23}Na magic-angle-spinning (MAS) nuclear magnetic resonance (NMR) and {sup 23}Na multiple-quantum MAS (MQMAS) NMR spectroscopy. In contrast with an uniform distribution of Na cations expected so far, various well-defined cation states sensitive to the local structures of the 2D nanosheets were identified. The tunability of the interlayer cation states along with the local structure of the 2D nanosheets, as the smallest structural unit of the 2D material, is discussed.

  15. NMR and pattern recognition methods in metabolomics: From data acquisition to biomarker discovery: A review

    International Nuclear Information System (INIS)

    Smolinska, Agnieszka; Blanchet, Lionel; Buydens, Lutgarde M.C.; Wijmenga, Sybren S.

    2012-01-01

    Highlights: ► Procedures for acquisition of different biofluids by NMR. ► Recent developments in metabolic profiling of different biofluids by NMR are presented. ► The crucial steps involved in data preprocessing and multivariate chemometric analysis are reviewed. ► Emphasis is given on recent findings on Multiple Sclerosis via NMR and pattern recognition methods. - Abstract: Metabolomics is the discipline where endogenous and exogenous metabolites are assessed, identified and quantified in different biological samples. Metabolites are crucial components of biological system and highly informative about its functional state, due to their closeness to functional endpoints and to the organism's phenotypes. Nuclear Magnetic Resonance (NMR) spectroscopy, next to Mass Spectrometry (MS), is one of the main metabolomics analytical platforms. The technological developments in the field of NMR spectroscopy have enabled the identification and quantitative measurement of the many metabolites in a single sample of biofluids in a non-targeted and non-destructive manner. Combination of NMR spectra of biofluids and pattern recognition methods has driven forward the application of metabolomics in the field of biomarker discovery. The importance of metabolomics in diagnostics, e.g. in identifying biomarkers or defining pathological status, has been growing exponentially as evidenced by the number of published papers. In this review, we describe the developments in data acquisition and multivariate analysis of NMR-based metabolomics data, with particular emphasis on the metabolomics of Cerebrospinal Fluid (CSF) and biomarker discovery in Multiple Sclerosis (MScl).

  16. Authenticity study of Phyllanthus species by NMR and FT-IR techniques coupled with chemometric methods

    International Nuclear Information System (INIS)

    Santos, Maiara S.; Pereira-Filho, Edenir R.; Ferreira, Antonio G.; Boffo, Elisangela F.; Figueira, Glyn M.

    2012-01-01

    The importance of medicinal plants and their use in industrial applications is increasing worldwide, especially in Brazil. Phyllanthus species, popularly known as 'quebra-pedras' in Brazil, are used in folk medicine for treating urinary infections and renal calculus. This paper reports an authenticity study, based on herbal drugs from Phyllanthus species, involving commercial and authentic samples using spectroscopic techniques: FT-IR, 1 H HR-MAS NMR and 1 H NMR in solution, combined with chemometric analysis. The spectroscopic techniques evaluated, coupled with chemometric methods, have great potential in the investigation of complex matrices. Furthermore, several metabolites were identified by the NMR techniques. (author)

  17. Authenticity study of Phyllanthus species by NMR and FT-IR Techniques coupled with chemometric methods

    Directory of Open Access Journals (Sweden)

    Maiara S. Santos

    2012-01-01

    Full Text Available The importance of medicinal plants and their use in industrial applications is increasing worldwide, especially in Brazil. Phyllanthus species, popularly known as "quebra-pedras" in Brazil, are used in folk medicine for treating urinary infections and renal calculus. This paper reports an authenticity study, based on herbal drugs from Phyllanthus species, involving commercial and authentic samples using spectroscopic techniques: FT-IR, ¹H HR-MAS NMR and ¹H NMR in solution, combined with chemometric analysis. The spectroscopic techniques evaluated, coupled with chemometric methods, have great potential in the investigation of complex matrices. Furthermore, several metabolites were identified by the NMR techniques.

  18. Authenticity study of Phyllanthus species by NMR and FT-IR techniques coupled with chemometric methods

    Energy Technology Data Exchange (ETDEWEB)

    Santos, Maiara S.; Pereira-Filho, Edenir R.; Ferreira, Antonio G. [Universidade Federal de Sao Carlos (UFSCAR), SP (Brazil). Dept. de Quimica; Boffo, Elisangela F. [Universidade Federal da Bahia (UFBA), Salvador, BA (Brazil). Inst. de Quimica; Figueira, Glyn M., E-mail: maiarassantos@yahoo.com.br [Universidade Estadual de Campinas (UNICAMP), Campinas, SP (Brazil). Centro Pluridisciplinar de Pesquisas Quimicas, Biologicas e Agricolas

    2012-07-01

    The importance of medicinal plants and their use in industrial applications is increasing worldwide, especially in Brazil. Phyllanthus species, popularly known as 'quebra-pedras' in Brazil, are used in folk medicine for treating urinary infections and renal calculus. This paper reports an authenticity study, based on herbal drugs from Phyllanthus species, involving commercial and authentic samples using spectroscopic techniques: FT-IR, {sup 1}H HR-MAS NMR and {sup 1}H NMR in solution, combined with chemometric analysis. The spectroscopic techniques evaluated, coupled with chemometric methods, have great potential in the investigation of complex matrices. Furthermore, several metabolites were identified by the NMR techniques. (author)

  19. Authenticity study of Phyllanthus species by NMR and FT-IR techniques coupled with chemometric methods

    Energy Technology Data Exchange (ETDEWEB)

    Santos, Maiara S.; Pereira-Filho, Edenir R.; Ferreira, Antonio G. [Universidade Federal de Sao Carlos (UFSCAR), SP (Brazil). Dept. de Quimica; Boffo, Elisangela F. [Universidade Federal da Bahia (UFBA), Salvador, BA (Brazil). Inst. de Quimica; Figueira, Glyn M., E-mail: maiarassantos@yahoo.com.br [Universidade Estadual de Campinas (UNICAMP), Campinas, SP (Brazil). Centro Pluridisciplinar de Pesquisas Quimicas, Biologicas e Agricolas

    2012-07-01

    The importance of medicinal plants and their use in industrial applications is increasing worldwide, especially in Brazil. Phyllanthus species, popularly known as 'quebra-pedras' in Brazil, are used in folk medicine for treating urinary infections and renal calculus. This paper reports an authenticity study, based on herbal drugs from Phyllanthus species, involving commercial and authentic samples using spectroscopic techniques: FT-IR, {sup 1}H HR-MAS NMR and {sup 1}H NMR in solution, combined with chemometric analysis. The spectroscopic techniques evaluated, coupled with chemometric methods, have great potential in the investigation of complex matrices. Furthermore, several metabolites were identified by the NMR techniques. (author)

  20. Explorative data analysis of two-dimensional electrophoresis gels

    DEFF Research Database (Denmark)

    Schultz, J.; Gottlieb, D.M.; Petersen, Marianne Kjerstine

    2004-01-01

    of gels is presented. First, an approach is demonstrated in which no prior knowledge of the separated proteins is used. Alignment of the gels followed by a simple transformation of data makes it possible to analyze the gels in an automated explorative manner by principal component analysis, to determine......Methods for classification of two-dimensional (2-DE) electrophoresis gels based on multivariate data analysis are demonstrated. Two-dimensional gels of ten wheat varieties are analyzed and it is demonstrated how to classify the wheat varieties in two qualities and a method for initial screening...... if the gels should be further analyzed. A more detailed approach is done by analyzing spot volume lists by principal components analysis and partial least square regression. The use of spot volume data offers a mean to investigate the spot pattern and link the classified protein patterns to distinct spots...

  1. CORPORATE VALUATION USING TWO-DIMENSIONAL MONTE CARLO SIMULATION

    Directory of Open Access Journals (Sweden)

    Toth Reka

    2010-12-01

    Full Text Available In this paper, we have presented a corporate valuation model. The model combine several valuation methods in order to get more accurate results. To determine the corporate asset value we have used the Gordon-like two-stage asset valuation model based on the calculation of the free cash flow to the firm. We have used the free cash flow to the firm to determine the corporate market value, which was calculated with use of the Black-Scholes option pricing model in frame of the two-dimensional Monte Carlo simulation method. The combined model and the use of the two-dimensional simulation model provides a better opportunity for the corporate value estimation.

  2. The Convergence Acceleration of Two-Dimensional Fourier Interpolation

    Directory of Open Access Journals (Sweden)

    Anry Nersessian

    2008-07-01

    Full Text Available Hereby, the convergence acceleration of two-dimensional trigonometric interpolation for a smooth functions on a uniform mesh is considered. Together with theoretical estimates some numerical results are presented and discussed that reveal the potential of this method for application in image processing. Experiments show that suggested algorithm allows acceleration of conventional Fourier interpolation even for sparse meshes that can lead to an efficient image compression/decompression algorithms and also to applications in image zooming procedures.

  3. Vector (two-dimensional) magnetic phenomena

    International Nuclear Information System (INIS)

    Enokizono, Masato

    2002-01-01

    In this paper, some interesting phenomena were described from the viewpoint of two-dimensional magnetic property, which is reworded with the vector magnetic property. It shows imperfection of conventional magnetic property and some interested phenomena were discovered, too. We found magnetic materials had the strong nonlinearity both magnitude and spatial phase due to the relationship between the magnetic field strength H-vector and the magnetic flux density B-vector. Therefore, magnetic properties should be defined as the vector relationship. Furthermore, the new Barukhausen signal was observed under rotating flux. (Author)

  4. Two-dimensional Semiconductor-Superconductor Hybrids

    DEFF Research Database (Denmark)

    Suominen, Henri Juhani

    This thesis investigates hybrid two-dimensional semiconductor-superconductor (Sm-S) devices and presents a new material platform exhibiting intimate Sm-S coupling straight out of the box. Starting with the conventional approach, we investigate coupling superconductors to buried quantum well....... To overcome these issues we integrate the superconductor directly into the semiconducting material growth stack, depositing it in-situ in a molecular beam epitaxy system under high vacuum. We present a number of experiments on these hybrid heterostructures, demonstrating near unity interface transparency...

  5. Optimized two-dimensional Sn transport (BISTRO)

    International Nuclear Information System (INIS)

    Palmiotti, G.; Salvatores, M.; Gho, C.

    1990-01-01

    This paper reports on an S n two-dimensional transport module developed for the French fast reactor code system CCRR to optimize algorithms in order to obtain the best performance in terms of computational time. A form of diffusion synthetic acceleration was adopted, and a special effort was made to solve the associated diffusion equation efficiently. The improvements in the algorithms, along with the use of an efficient programming language, led to a significant gain in computational time with respect to the DOT code

  6. Binding energy of two-dimensional biexcitons

    DEFF Research Database (Denmark)

    Singh, Jai; Birkedal, Dan; Vadim, Lyssenko

    1996-01-01

    Using a model structure for a two-dimensional (2D) biexciton confined in a quantum well, it is shown that the form of the Hamiltonian of the 2D biexciton reduces into that of an exciton. The binding energies and Bohr radii of a 2D biexciton in its various internal energy states are derived...... analytically using the fractional dimension approach. The ratio of the binding energy of a 2D biexciton to that of a 2D exciton is found to be 0.228, which agrees very well with the recent experimental value. The results of our approach are compared with those of earlier theories....

  7. Airy beams on two dimensional materials

    Science.gov (United States)

    Imran, Muhammad; Li, Rujiang; Jiang, Yuyu; Lin, Xiao; Zheng, Bin; Dehdashti, Shahram; Xu, Zhiwei; Wang, Huaping

    2018-05-01

    We propose that quasi-transverse-magnetic (quasi-TM) Airy beams can be supported on two dimensional (2D) materials. By taking graphene as a typical example, the solution of quasi-TM Airy beams is studied under the paraxial approximation. The analytical field intensity in a bilayer graphene-based planar plasmonic waveguide is confirmed by the simulation results. Due to the tunability of the chemical potential of graphene, the self-accelerating behavior of the quasi-TM Airy beam can be steered effectively. 2D materials thus provide a good platform to investigate the propagation of Airy beams.

  8. Two-dimensional heat flow apparatus

    Science.gov (United States)

    McDougall, Patrick; Ayars, Eric

    2014-06-01

    We have created an apparatus to quantitatively measure two-dimensional heat flow in a metal plate using a grid of temperature sensors read by a microcontroller. Real-time temperature data are collected from the microcontroller by a computer for comparison with a computational model of the heat equation. The microcontroller-based sensor array allows previously unavailable levels of precision at very low cost, and the combination of measurement and modeling makes for an excellent apparatus for the advanced undergraduate laboratory course.

  9. Decoherence in two-dimensional quantum walks

    International Nuclear Information System (INIS)

    Oliveira, A. C.; Portugal, R.; Donangelo, R.

    2006-01-01

    We analyze the decoherence in quantum walks in two-dimensional lattices generated by broken-link-type noise. In this type of decoherence, the links of the lattice are randomly broken with some given constant probability. We obtain the evolution equation for a quantum walker moving on two-dimensional (2D) lattices subject to this noise, and we point out how to generalize for lattices in more dimensions. In the nonsymmetric case, when the probability of breaking links in one direction is different from the probability in the perpendicular direction, we have obtained a nontrivial result. If one fixes the link-breaking probability in one direction, and gradually increases the probability in the other direction from 0 to 1, the decoherence initially increases until it reaches a maximum value, and then it decreases. This means that, in some cases, one can increase the noise level and still obtain more coherence. Physically, this can be explained as a transition from a decoherent 2D walk to a coherent 1D walk

  10. Study of two-dimensional interchange turbulence

    International Nuclear Information System (INIS)

    Sugama, Hideo; Wakatani, Masahiro.

    1990-04-01

    An eddy viscosity model describing enstrophy transfer in two-dimensional turbulence is presented. This model is similar to that of Canuto et al. and provides an equation for the energy spectral function F(k) as a function of the energy input rate to the system per unit wavenumber, γ s (k). In the enstrophy-transfer inertial range, F(k)∝ k -3 is predicted by the model. The eddy viscosity model is applied to the interchange turbulence of a plasma in shearless magnetic field. Numerical simulation of the two-dimensional interchange turbulence demonstrates that the energy spectrum in the high wavenumber region is well described by this model. The turbulent transport driven by the interchange turbulence is expressed in terms of the Nusselt number Nu, the Rayleigh number Ra and Prantl number Pr in the same manner as that of thermal convection problem. When we use the linear growth rate for γ s (k), our theoretical model predicts that Nu ∝ (Ra·Pr) 1/2 for a constant background pressure gradient and Nu ∝ (Ra·Pr) 1/3 for a self-consistent background pressure profile with the stress-free slip boundary conditions. The latter agrees with our numerical result showing Nu ∝ Ra 1/3 . (author)

  11. Two-Dimensional Theory of Scientific Representation

    Directory of Open Access Journals (Sweden)

    A Yaghmaie

    2013-03-01

    Full Text Available Scientific representation is an interesting topic for philosophers of science, many of whom have recently explored it from different points of view. There are currently two competing approaches to the issue: cognitive and non-cognitive, and each of them claims its own merits over the other. This article tries to provide a hybrid theory of scientific representation, called Two-Dimensional Theory of Scientific Representation, which has the merits of the two accounts and is free of their shortcomings. To do this, we will argue that although scientific representation needs to use the notion of intentionality, such a notion is defined and realized in a simply structural form contrary to what cognitive approach says about intentionality. After a short introduction, the second part of the paper is devoted to introducing theories of scientific representation briefly. In the third part, the structural accounts of representation will be criticized. The next step is to introduce the two-dimensional theory which involves two key components: fixing and structural fitness. It will be argued that fitness is an objective and non-intentional relation, while fixing is intentional.

  12. Two-dimensional time dependent Riemann solvers for neutron transport

    International Nuclear Information System (INIS)

    Brunner, Thomas A.; Holloway, James Paul

    2005-01-01

    A two-dimensional Riemann solver is developed for the spherical harmonics approximation to the time dependent neutron transport equation. The eigenstructure of the resulting equations is explored, giving insight into both the spherical harmonics approximation and the Riemann solver. The classic Roe-type Riemann solver used here was developed for one-dimensional problems, but can be used in multidimensional problems by treating each face of a two-dimensional computation cell in a locally one-dimensional way. Several test problems are used to explore the capabilities of both the Riemann solver and the spherical harmonics approximation. The numerical solution for a simple line source problem is compared to the analytic solution to both the P 1 equation and the full transport solution. A lattice problem is used to test the method on a more challenging problem

  13. Quantum vacuum energy in two dimensional space-times

    International Nuclear Information System (INIS)

    Davies, P.C.W.; Fulling, S.A.

    1977-01-01

    The paper presents in detail the renormalization theory of the energy-momentum tensor of a two dimensional massless scalar field which has been used elsewhere to study the local physics in a model of black hole evaporation. The treatment is generalized to include the Casimir effect occurring in spatially finite models. The essence of the method is evaluation of the field products in the tensor as functions of two points, followed by covariant subtraction of the discontinuous terms arising as the points coalesce. In two dimensional massless theories, conformal transformations permit exact calculations to be performed. The results are applied here to some special cases, primarily space-times of constant curvature, with emphasis on the existence of distinct 'vacuum' states associated naturally with different conformal coordinate systems. The relevance of the work to the general problems of defining observables and of classifying and interpreting states in curved-space quantum field theory is discussed. (author)

  14. Two-dimensional Simulations of Correlation Reflectometry in Fusion Plasmas

    International Nuclear Information System (INIS)

    Valeo, E.J.; Kramer, G.J.; Nazikian, R.

    2001-01-01

    A two-dimensional wave propagation code, developed specifically to simulate correlation reflectometry in large-scale fusion plasmas is described. The code makes use of separate computational methods in the vacuum, underdense and reflection regions of the plasma in order to obtain the high computational efficiency necessary for correlation analysis. Simulations of Tokamak Fusion Test Reactor (TFTR) plasma with internal transport barriers are presented and compared with one-dimensional full-wave simulations. It is shown that the two-dimensional simulations are remarkably similar to the results of the one-dimensional full-wave analysis for a wide range of turbulent correlation lengths. Implications for the interpretation of correlation reflectometer measurements in fusion plasma are discussed

  15. Quantum vacuum energy in two dimensional space-times

    Energy Technology Data Exchange (ETDEWEB)

    Davies, P C.W.; Fulling, S A [King' s Coll., London (UK). Dept. of Mathematics

    1977-04-21

    The paper presents in detail the renormalization theory of the energy-momentum tensor of a two dimensional massless scalar field which has been used elsewhere to study the local physics in a model of black hole evaporation. The treatment is generalized to include the Casimir effect occurring in spatially finite models. The essence of the method is evaluation of the field products in the tensor as functions of two points, followed by covariant subtraction of the discontinuous terms arising as the points coalesce. In two dimensional massless theories, conformal transformations permit exact calculations to be performed. The results are applied here to some special cases, primarily space-times of constant curvature, with emphasis on the existence of distinct 'vacuum' states associated naturally with different conformal coordinate systems. The relevance of the work to the general problems of defining observables and of classifying and interpreting states in curved-space quantum field theory is discussed.

  16. Procedures for two-dimensional electrophoresis of proteins

    Energy Technology Data Exchange (ETDEWEB)

    Tollaksen, S.L.; Giometti, C.S.

    1996-10-01

    High-resolution two-dimensional gel electrophoresis (2DE) of proteins, using isoelectric focusing in the first dimension and sodium dodecyl sulfate/polyacrylamide gel electrophoresis (SDS-PAGE) in the second, was first described in 1975. In the 20 years since those publications, numerous modifications of the original method have evolved. The ISO-DALT system of 2DE is a high-throughput approach that has stood the test of time. The problem of casting many isoelectric focusing gels and SDS-PAGE slab gels (up to 20) in a reproducible manner has been solved by the use of the techniques and equipment described in this manual. The ISO-DALT system of two-dimensional gel electrophoresis originated in the late 1970s and has been modified many times to improve its high-resolution, high-throughput capabilities. This report provides the detailed procedures used with the current ISO-DALT system to prepare, run, stain, and photograph two-dimensional gels for protein analysis.

  17. Automated Processing of Two-Dimensional Correlation Spectra

    Science.gov (United States)

    Sengstschmid; Sterk; Freeman

    1998-04-01

    An automated scheme is described which locates the centers of cross peaks in two-dimensional correlation spectra, even under conditions of severe overlap. Double-quantum-filtered correlation (DQ-COSY) spectra have been investigated, but the method is also applicable to TOCSY and NOESY spectra. The search criterion is the intrinsic symmetry (or antisymmetry) of cross-peak multiplets. An initial global search provides the preliminary information to build up a two-dimensional "chemical shift grid." All genuine cross peaks must be centered at intersections of this grid, a fact that reduces the extent of the subsequent search program enormously. The program recognizes cross peaks by examining the symmetry of signals in a test zone centered at a grid intersection. This "symmetry filter" employs a "lowest value algorithm" to discriminate against overlapping responses from adjacent multiplets. A progressive multiplet subtraction scheme provides further suppression of overlap effects. The processed two-dimensional correlation spectrum represents cross peaks as points at the chemical shift coordinates, with some indication of their relative intensities. Alternatively, the information is presented in the form of a correlation table. The authenticity of a given cross peak is judged by a set of "confidence criteria" expressed as numerical parameters. Experimental results are presented for the 400-MHz double-quantum-filtered COSY spectrum of 4-androsten-3,17-dione, a case where there is severe overlap. Copyright 1998 Academic Press.

  18. Two-dimensional simulation of sintering process

    International Nuclear Information System (INIS)

    Vasconcelos, Vanderley de; Pinto, Lucio Carlos Martins; Vasconcelos, Wander L.

    1996-01-01

    The results of two-dimensional simulations are directly applied to systems in which one of the dimensions is much smaller than the others, and to sections of three dimensional models. Moreover, these simulations are the first step of the analysis of more complex three-dimensional systems. In this work, two basic features of the sintering process are studied: the types of particle size distributions related to the powder production processes and the evolution of geometric parameters of the resultant microstructures during the solid-state sintering. Random packing of equal spheres is considered in the sintering simulation. The packing algorithm does not take into account the interactive forces between the particles. The used sintering algorithm causes the densification of the particle set. (author)

  19. Two dimensional generalizations of the Newcomb equation

    International Nuclear Information System (INIS)

    Dewar, R.L.; Pletzer, A.

    1989-11-01

    The Bineau reduction to scalar form of the equation governing ideal, zero frequency linearized displacements from a hydromagnetic equilibrium possessing a continuous symmetry is performed in 'universal coordinates', applicable to both the toroidal and helical cases. The resulting generalized Newcomb equation (GNE) has in general a more complicated form than the corresponding one dimensional equation obtained by Newcomb in the case of circular cylindrical symmetry, but in this cylindrical case , the equation can be transformed to that of Newcomb. In the two dimensional case there is a transformation which leaves the form of the GNE invariant and simplifies the Frobenius expansion about a rational surface, especially in the limit of zero pressure gradient. The Frobenius expansions about a mode rational surface is developed and the connection with Hamiltonian transformation theory is shown. 17 refs

  20. Pressure of two-dimensional Yukawa liquids

    International Nuclear Information System (INIS)

    Feng, Yan; Wang, Lei; Tian, Wen-de; Goree, J; Liu, Bin

    2016-01-01

    A simple analytic expression for the pressure of a two-dimensional Yukawa liquid is found by fitting results from a molecular dynamics simulation. The results verify that the pressure can be written as the sum of a potential term which is a simple multiple of the Coulomb potential energy at a distance of the Wigner–Seitz radius, and a kinetic term which is a multiple of the one for an ideal gas. Dimensionless coefficients for each of these terms are found empirically, by fitting. The resulting analytic expression, with its empirically determined coefficients, is plotted as isochores, or curves of constant area. These results should be applicable to monolayer dusty plasmas. (paper)

  1. Two dimensional nanomaterials for flexible supercapacitors.

    Science.gov (United States)

    Peng, Xu; Peng, Lele; Wu, Changzheng; Xie, Yi

    2014-05-21

    Flexible supercapacitors, as one of most promising emerging energy storage devices, are of great interest owing to their high power density with great mechanical compliance, making them very suitable as power back-ups for future stretchable electronics. Two-dimensional (2D) nanomaterials, including the quasi-2D graphene and inorganic graphene-like materials (IGMs), have been greatly explored to providing huge potential for the development of flexible supercapacitors with higher electrochemical performance. This review article is devoted to recent progresses in engineering 2D nanomaterials for flexible supercapacitors, which survey the evolution of electrode materials, recent developments in 2D nanomaterials and their hybrid nanostructures with regulated electrical properties, and the new planar configurations of flexible supercapacitors. Furthermore, a brief discussion on future directions, challenges and opportunities in this fascinating area is also provided.

  2. Geometrical aspects of solvable two dimensional models

    International Nuclear Information System (INIS)

    Tanaka, K.

    1989-01-01

    It was noted that there is a connection between the non-linear two-dimensional (2D) models and the scalar curvature r, i.e., when r = -2 the equations of motion of the Liouville and sine-Gordon models were obtained. Further, solutions of various classical nonlinear 2D models can be obtained from the condition that the appropriate curvature two form Ω = 0, which suggests that these models are closely related. This relation is explored further in the classical version by obtaining the equations of motion from the evolution equations, the infinite number of conserved quantities, and the common central charge. The Poisson brackets of the solvable 2D models are specified by the Virasoro algebra. 21 refs

  3. Two-dimensional materials for ultrafast lasers

    International Nuclear Information System (INIS)

    Wang Fengqiu

    2017-01-01

    As the fundamental optical properties and novel photophysics of graphene and related two-dimensional (2D) crystals are being extensively investigated and revealed, a range of potential applications in optical and optoelectronic devices have been proposed and demonstrated. Of the many possibilities, the use of 2D materials as broadband, cost-effective and versatile ultrafast optical switches (or saturable absorbers) for short-pulsed lasers constitutes a rapidly developing field with not only a good number of publications, but also a promising prospect for commercial exploitation. This review primarily focuses on the recent development of pulsed lasers based on several representative 2D materials. The comparative advantages of these materials are discussed, and challenges to practical exploitation, which represent good future directions of research, are laid out. (paper)

  4. Two-dimensional phase fraction charts

    International Nuclear Information System (INIS)

    Morral, J.E.

    1984-01-01

    A phase fraction chart is a graphical representation of the amount of each phase present in a system as a function of temperature, composition or other variable. Examples are phase fraction versus temperature charts used to characterize specific alloys and as a teaching tool in elementary texts, and Schaeffler diagrams used to predict the amount of ferrite in stainless steel welds. Isothermal-transformation diagrams (TTT diagrams) are examples that give phase (or microconstituent) amount versus temperature and time. The purpose of this communication is to discuss the properties of two-dimensional phase fraction charts in more general terms than have been reported before. It is shown that they can represent multi-component, multiphase equilibria in a way which is easier to read and which contains more information than the isotherms and isopleths of multi-component phase diagrams

  5. Two-dimensional motions of rockets

    International Nuclear Information System (INIS)

    Kang, Yoonhwan; Bae, Saebyok

    2007-01-01

    We analyse the two-dimensional motions of the rockets for various types of rocket thrusts, the air friction and the gravitation by using a suitable representation of the rocket equation and the numerical calculation. The slope shapes of the rocket trajectories are discussed for the three types of rocket engines. Unlike the projectile motions, the descending parts of the trajectories tend to be gentler and straighter slopes than the ascending parts for relatively large launching angles due to the non-vanishing thrusts. We discuss the ranges, the maximum altitudes and the engine performances of the rockets. It seems that the exponential fuel exhaustion can be the most potent engine for the longest and highest flights

  6. Two-Dimensional Homogeneous Fermi Gases

    Science.gov (United States)

    Hueck, Klaus; Luick, Niclas; Sobirey, Lennart; Siegl, Jonas; Lompe, Thomas; Moritz, Henning

    2018-02-01

    We report on the experimental realization of homogeneous two-dimensional (2D) Fermi gases trapped in a box potential. In contrast to harmonically trapped gases, these homogeneous 2D systems are ideally suited to probe local as well as nonlocal properties of strongly interacting many-body systems. As a first benchmark experiment, we use a local probe to measure the density of a noninteracting 2D Fermi gas as a function of the chemical potential and find excellent agreement with the corresponding equation of state. We then perform matter wave focusing to extract the momentum distribution of the system and directly observe Pauli blocking in a near unity occupation of momentum states. Finally, we measure the momentum distribution of an interacting homogeneous 2D gas in the crossover between attractively interacting fermions and bosonic dimers.

  7. Two-dimensional electroacoustic waves in silicene

    Science.gov (United States)

    Zhukov, Alexander V.; Bouffanais, Roland; Konobeeva, Natalia N.; Belonenko, Mikhail B.

    2018-01-01

    In this letter, we investigate the propagation of two-dimensional electromagnetic waves in a piezoelectric medium built upon silicene. Ultrashort optical pulses of Gaussian form are considered to probe this medium. On the basis of Maxwell's equations supplemented with the wave equation for the medium's displacement vector, we obtain the effective governing equation for the vector potential associated with the electromagnetic field, as well as the component of the displacement vector. The dependence of the pulse shape on the bandgap in silicene and the piezoelectric coefficient of the medium was analyzed, thereby revealing a nontrivial triadic interplay between the characteristics of the pulse dynamics, the electronic properties of silicene, and the electrically induced mechanical vibrations of the medium. In particular, we uncovered the possibility for an amplification of the pulse amplitude through the tuning of the piezoelectric coefficient. This property could potentially offer promising prospects for the development of amplification devices for the optoelectronics industry.

  8. Versatile two-dimensional transition metal dichalcogenides

    DEFF Research Database (Denmark)

    Canulescu, Stela; Affannoukoué, Kévin; Döbeli, Max

    ), a strategy for the fabrication of 2D heterostructures must be developed. Here we demonstrate a novel approach for the bottom-up synthesis of TMDC monolayers, namely Pulsed Laser Deposition (PLD) combined with a sulfur evaporation beam. PLD relies on the use of a pulsed laser (ns pulse duration) to induce...... material transfer from a solid source (such as a sintered target of MoS2) to a substrate (such as Si or sapphire). The deposition rate in PLD is typically much less than a monolayer per pulse, meaning that the number of MLs can be controlled by a careful selection of the number of laser pulses......Two-dimensional transition metal dichalcogenides (2D-TMDCs), such as MoS2, have emerged as a new class of semiconducting materials with distinct optical and electrical properties. The availability of 2D-TMDCs with distinct band gaps allows for unlimited combinations of TMDC monolayers (MLs...

  9. Two-dimensional heterostructures for energy storage

    Energy Technology Data Exchange (ETDEWEB)

    Gogotsi, Yury G. [Drexel Univ., Philadelphia, PA (United States); Pomerantseva, Ekaterina [Drexel Univ., Philadelphia, PA (United States)

    2017-06-12

    Two-dimensional (2D) materials provide slit-shaped ion diffusion channels that enable fast movement of lithium and other ions. However, electronic conductivity, the number of intercalation sites, and stability during extended cycling are also crucial for building high-performance energy storage devices. While individual 2D materials, such as graphene, show some of the required properties, none of them can offer all properties needed to maximize energy density, power density, and cycle life. Here we argue that stacking different 2D materials into heterostructured architectures opens an opportunity to construct electrodes that would combine the advantages of the individual building blocks while eliminating the associated shortcomings. We discuss characteristics of common 2D materials and provide examples of 2D heterostructured electrodes that showed new phenomena leading to superior electrochemical performance. As a result, we also consider electrode fabrication approaches and finally outline future steps to create 2D heterostructured electrodes that could greatly expand current energy storage technologies.

  10. Engineering topological edge states in two dimensional magnetic photonic crystal

    Science.gov (United States)

    Yang, Bing; Wu, Tong; Zhang, Xiangdong

    2017-01-01

    Based on a perturbative approach, we propose a simple and efficient method to engineer the topological edge states in two dimensional magnetic photonic crystals. The topological edge states in the microstructures can be constructed and varied by altering the parameters of the microstructure according to the field-energy distributions of the Bloch states at the related Bloch wave vectors. The validity of the proposed method has been demonstrated by exact numerical calculations through three concrete examples. Our method makes the topological edge states "designable."

  11. Equivalency of two-dimensional algebras

    International Nuclear Information System (INIS)

    Santos, Gildemar Carneiro dos; Pomponet Filho, Balbino Jose S.

    2011-01-01

    Full text: Let us consider a vector z = xi + yj over the field of real numbers, whose basis (i,j) satisfy a given algebra. Any property of this algebra will be reflected in any function of z, so we can state that the knowledge of the properties of an algebra leads to more general conclusions than the knowledge of the properties of a function. However structural properties of an algebra do not change when this algebra suffers a linear transformation, though the structural constants defining this algebra do change. We say that two algebras are equivalent to each other whenever they are related by a linear transformation. In this case, we have found that some relations between the structural constants are sufficient to recognize whether or not an algebra is equivalent to another. In spite that the basis transform linearly, the structural constants change like a third order tensor, but some combinations of these tensors result in a linear transformation, allowing to write the entries of the transformation matrix as function of the structural constants. Eventually, a systematic way to find the transformation matrix between these equivalent algebras is obtained. In this sense, we have performed the thorough classification of associative commutative two-dimensional algebras, and find that even non-division algebra may be helpful in solving non-linear dynamic systems. The Mandelbrot set was used to have a pictorial view of each algebra, since equivalent algebras result in the same pattern. Presently we have succeeded in classifying some non-associative two-dimensional algebras, a task more difficult than for associative one. (author)

  12. Filtering techniques for efficient inversion of two-dimensional Nuclear Magnetic Resonance data

    Science.gov (United States)

    Bortolotti, V.; Brizi, L.; Fantazzini, P.; Landi, G.; Zama, F.

    2017-10-01

    The inversion of two-dimensional Nuclear Magnetic Resonance (NMR) data requires the solution of a first kind Fredholm integral equation with a two-dimensional tensor product kernel and lower bound constraints. For the solution of this ill-posed inverse problem, the recently presented 2DUPEN algorithm [V. Bortolotti et al., Inverse Problems, 33(1), 2016] uses multiparameter Tikhonov regularization with automatic choice of the regularization parameters. In this work, I2DUPEN, an improved version of 2DUPEN that implements Mean Windowing and Singular Value Decomposition filters, is deeply tested. The reconstruction problem with filtered data is formulated as a compressed weighted least squares problem with multi-parameter Tikhonov regularization. Results on synthetic and real 2D NMR data are presented with the main purpose to deeper analyze the separate and combined effects of these filtering techniques on the reconstructed 2D distribution.

  13. Two-dimensional core calculation research for fuel management optimization based on CPACT code

    International Nuclear Information System (INIS)

    Chen Xiaosong; Peng Lianghui; Gang Zhi

    2013-01-01

    Fuel management optimization process requires rapid assessment for the core layout program, and the commonly used methods include two-dimensional diffusion nodal method, perturbation method, neural network method and etc. A two-dimensional loading patterns evaluation code was developed based on the three-dimensional LWR diffusion calculation program CPACT. Axial buckling introduced to simulate the axial leakage was searched in sub-burnup sections to correct the two-dimensional core diffusion calculation results. Meanwhile, in order to get better accuracy, the weight equivalent volume method of the control rod assembly cross-section was improved. (authors)

  14. Method of T2 spectrum inversion with conjugate gradient algorithm from NMR data

    International Nuclear Information System (INIS)

    Li Pengju; Shi Shangming; Song Yanjie

    2010-01-01

    Based on the optimization techniques, the T 2 spectrum inversion method of conjugate gradient that is easy to realize non-negativity constraint of T2 spectrum is proposed. The method transforms the linear mixed-determined problem of T2 spectrum inversion into the typical optimization problem of searching the minimum of objective function by building up the objective function according to the basic idea of geophysics modeling. The optimization problem above is solved with the conjugate gradient algorithm that has quick convergence rate and quadratic termination. The method has been applied to the inversion of noise free echo train generated from artificial spectrum, artificial echo train with signal-to-noise ratio (SNR)=25 and NMR experimental data of drilling core. The comparison between the inversion results of this paper and artificial spectrum or the result of software imported in NMR laboratory shows that the method can correctly invert T 2 spectrum from artificial NMR relaxation data even though SNR=25 and that inversion T 2 spectrum with good continuity and smoothness from core NMR experimental data accords perfectly with that of laboratory software imported, and moreover,the absolute error between the NMR porosity computed from T 2 spectrum and helium (He) porosity in laboratory is 0.65%. (authors)

  15. Inverse radiative transfer problems in two-dimensional heterogeneous media

    International Nuclear Information System (INIS)

    Tito, Mariella Janette Berrocal

    2001-01-01

    The analysis of inverse problems in participating media where emission, absorption and scattering take place has several relevant applications in engineering and medicine. Some of the techniques developed for the solution of inverse problems have as a first step the solution of the direct problem. In this work the discrete ordinates method has been used for the solution of the linearized Boltzmann equation in two dimensional cartesian geometry. The Levenberg - Marquardt method has been used for the solution of the inverse problem of internal source and absorption and scattering coefficient estimation. (author)

  16. The Penalty Cost Functional for the Two-Dimensional

    Directory of Open Access Journals (Sweden)

    Victor Onomza WAZIRI

    2006-07-01

    Full Text Available This paper constructs the penalty cost functional for optimizing the two-dimensional control operator of the energized wave equation. In some multiplier methods such as the Lagrange multipliers and Pontrygean maximum principle, the cost of merging the constraint equation to the integral quadratic objective functional to obtain an unconstraint equation is normally guessed or obtained from the first partial derivatives of the unconstrained equation. The Extended Conjugate Gradient Method (ECGM necessitates that the penalty cost be sequentially obtained algebraically. The ECGM problem contains a functional which is completely given in terms of state and time spatial dependent variables.

  17. Autocorrelation based reconstruction of two-dimensional binary objects

    International Nuclear Information System (INIS)

    Mejia-Barbosa, Y.; Castaneda, R.

    2005-10-01

    A method for reconstructing two-dimensional binary objects from its autocorrelation function is discussed. The objects consist of a finite set of identical elements. The reconstruction algorithm is based on the concept of class of element pairs, defined as the set of element pairs with the same separation vector. This concept allows to solve the redundancy introduced by the element pairs of each class. It is also shown that different objects, consisting of an equal number of elements and the same classes of pairs, provide Fraunhofer diffraction patterns with identical intensity distributions. However, the method predicts all the possible objects that produce the same Fraunhofer pattern. (author)

  18. A method for simultaneous quantification of phospholipid species by routine 31P NMR

    DEFF Research Database (Denmark)

    Brinkmann-Trettenes, Ulla; Stein, Paul C.; Klösgen, Beate Maria

    2012-01-01

    We report a 31P NMR assay for quantification of aqueous phospholipid samples. Using a capillary with trimethylphosphate as internal standard, the limit of quantification is 1.30mM. Comparison of the 31P NMR quantification method in aqueous buffer and in organic solvent revealed that the two methods...... are equal within experimental error. Changing the pH of the buffer enables peak separation for different phospholipid species. This is an advantage compared to the commercial enzyme assay based on phospholipase D and choline oxidase. The reported method, using routine 31P NMR equipment, is suitable when...... fast results of a limited number of samples are requested. © 2012 Elsevier B.V.....

  19. Quantification of organic acids in beer by nuclear magnetic resonance (NMR)-based methods

    Energy Technology Data Exchange (ETDEWEB)

    Rodrigues, J.E.A. [CICECO-Department of Chemistry, University of Aveiro, Campus de Santiago, 3810-193 Aveiro (Portugal); Erny, G.L. [CESAM - Department of Chemistry, University of Aveiro, Campus de Santiago, 3810-193 Aveiro (Portugal); Barros, A.S. [QOPNAA-Department of Chemistry, University of Aveiro, Campus de Santiago, 3810-193 Aveiro (Portugal); Esteves, V.I. [CESAM - Department of Chemistry, University of Aveiro, Campus de Santiago, 3810-193 Aveiro (Portugal); Brandao, T.; Ferreira, A.A. [UNICER, Bebidas de Portugal, Leca do Balio, 4466-955 S. Mamede de Infesta (Portugal); Cabrita, E. [Department of Chemistry, New University of Lisbon, 2825-114 Caparica (Portugal); Gil, A.M., E-mail: agil@ua.pt [CICECO-Department of Chemistry, University of Aveiro, Campus de Santiago, 3810-193 Aveiro (Portugal)

    2010-08-03

    The organic acids present in beer provide important information on the product's quality and history, determining organoleptic properties and being useful indicators of fermentation performance. NMR spectroscopy may be used for rapid quantification of organic acids in beer and different NMR-based methodologies are hereby compared for the six main acids found in beer (acetic, citric, lactic, malic, pyruvic and succinic). The use of partial least squares (PLS) regression enables faster quantification, compared to traditional integration methods, and the performance of PLS models built using different reference methods (capillary electrophoresis (CE), both with direct and indirect UV detection, and enzymatic essays) was investigated. The best multivariate models were obtained using CE/indirect detection and enzymatic essays as reference and their response was compared with NMR integration, either using an internal reference or an electrical reference signal (Electronic REference To access In vivo Concentrations, ERETIC). NMR integration results generally agree with those obtained by PLS, with some overestimation for malic and pyruvic acids, probably due to peak overlap and subsequent integral errors, and an apparent relative underestimation for citric acid. Overall, these results make the PLS-NMR method an interesting choice for organic acid quantification in beer.

  20. Quantification of organic acids in beer by nuclear magnetic resonance (NMR)-based methods

    International Nuclear Information System (INIS)

    Rodrigues, J.E.A.; Erny, G.L.; Barros, A.S.; Esteves, V.I.; Brandao, T.; Ferreira, A.A.; Cabrita, E.; Gil, A.M.

    2010-01-01

    The organic acids present in beer provide important information on the product's quality and history, determining organoleptic properties and being useful indicators of fermentation performance. NMR spectroscopy may be used for rapid quantification of organic acids in beer and different NMR-based methodologies are hereby compared for the six main acids found in beer (acetic, citric, lactic, malic, pyruvic and succinic). The use of partial least squares (PLS) regression enables faster quantification, compared to traditional integration methods, and the performance of PLS models built using different reference methods (capillary electrophoresis (CE), both with direct and indirect UV detection, and enzymatic essays) was investigated. The best multivariate models were obtained using CE/indirect detection and enzymatic essays as reference and their response was compared with NMR integration, either using an internal reference or an electrical reference signal (Electronic REference To access In vivo Concentrations, ERETIC). NMR integration results generally agree with those obtained by PLS, with some overestimation for malic and pyruvic acids, probably due to peak overlap and subsequent integral errors, and an apparent relative underestimation for citric acid. Overall, these results make the PLS-NMR method an interesting choice for organic acid quantification in beer.

  1. NMR and pattern recognition methods in metabolomics: From data acquisition to biomarker discovery: A review

    Energy Technology Data Exchange (ETDEWEB)

    Smolinska, Agnieszka, E-mail: A.Smolinska@science.ru.nl [Institute for Molecules and Materials, Radboud University Nijmegen, Nijmegen (Netherlands); Blanchet, Lionel [Institute for Molecules and Materials, Radboud University Nijmegen, Nijmegen (Netherlands); Department of Biochemistry, Nijmegen Centre for Molecular Life Sciences, Radboud University Nijmegen Medical Centre, Nijmegen (Netherlands); Buydens, Lutgarde M.C.; Wijmenga, Sybren S. [Institute for Molecules and Materials, Radboud University Nijmegen, Nijmegen (Netherlands)

    2012-10-31

    Highlights: Black-Right-Pointing-Pointer Procedures for acquisition of different biofluids by NMR. Black-Right-Pointing-Pointer Recent developments in metabolic profiling of different biofluids by NMR are presented. Black-Right-Pointing-Pointer The crucial steps involved in data preprocessing and multivariate chemometric analysis are reviewed. Black-Right-Pointing-Pointer Emphasis is given on recent findings on Multiple Sclerosis via NMR and pattern recognition methods. - Abstract: Metabolomics is the discipline where endogenous and exogenous metabolites are assessed, identified and quantified in different biological samples. Metabolites are crucial components of biological system and highly informative about its functional state, due to their closeness to functional endpoints and to the organism's phenotypes. Nuclear Magnetic Resonance (NMR) spectroscopy, next to Mass Spectrometry (MS), is one of the main metabolomics analytical platforms. The technological developments in the field of NMR spectroscopy have enabled the identification and quantitative measurement of the many metabolites in a single sample of biofluids in a non-targeted and non-destructive manner. Combination of NMR spectra of biofluids and pattern recognition methods has driven forward the application of metabolomics in the field of biomarker discovery. The importance of metabolomics in diagnostics, e.g. in identifying biomarkers or defining pathological status, has been growing exponentially as evidenced by the number of published papers. In this review, we describe the developments in data acquisition and multivariate analysis of NMR-based metabolomics data, with particular emphasis on the metabolomics of Cerebrospinal Fluid (CSF) and biomarker discovery in Multiple Sclerosis (MScl).

  2. NMR determination of chemically related metals in solution as a new method of inorganic analysis

    International Nuclear Information System (INIS)

    Fedorov, L.A.

    1989-01-01

    An NMR spectroscopic method for the determination of chemically related metals in solution is suggested. The metals are determined in complexes with specially selected polydentate ligands. Structural requirements to ligands, analytical properties and general limits of the application of the method are discussed. (orig.)

  3. Disk-cylinder method for using NMR to measure magnetic susceptibility

    International Nuclear Information System (INIS)

    Burnham, A.K.

    1978-01-01

    The sphere-cylinder method of using nuclear magnetic resonance (NMR) to measure the magnetic susceptibility of diamagnetic and paramagnetic materials has been generalized to the disk-cylinder method. A two-fold increase in sensitivity was obtained. Accuracies of 0.1% of the diamagnetism of water should be readily obtainable

  4. Seed prepare for oil content determination by NMR method in six cotton varieties

    International Nuclear Information System (INIS)

    Gondim-Tomaz, Rose Marry Araujo; Erismann, Norma de Magalhaes; Sabino, Nelson Paulieri; Kondo, Julio Isao; Cia, Edivaldo; Azzini, Anisio; Soave, Daise

    1998-01-01

    Three comparative methods (chemical seed-delinting with sulphuric acid solution, flaming and seed with linter) to prepare cotton seeds for oil determination by the Nuclear Magnetic Resonance (NMR) technique were considered. The chemical treatment with sulphuric acid was the best as long the linter interference was eliminated. The seed oil contents were determined by the NMR method in six cotton varieties from the national variety test. The IAPAR (Instituto Agronomico do Parana) 71 PR3 and IAC (Instituto Agronomico de Campinas) 20 varieties presented the highest oil content followed by the CNPA 7H, CS 50, IAC 22 and CNPA Precoce 2. (author)

  5. Fast method of NMR imaging based on trains of spin echoes

    International Nuclear Information System (INIS)

    Hennel, F.

    1993-01-01

    A theoretical introduction to Fourier NMR imaging and a discussion of fast methods are presented. Then an application of the method of echo-planar imaging (EPI) with spin echoes in a micro-imaging system is described together with introduced modifications of the sequence. A new technique for the measurement of flow profiles in liquids which results from a modification of x-pulsed EPI is presented. The development of new software for a NMR micro-imaging system is described, too. 51 refs, 29 refs

  6. Electronic Transport in Two-Dimensional Materials

    Science.gov (United States)

    Sangwan, Vinod K.; Hersam, Mark C.

    2018-04-01

    Two-dimensional (2D) materials have captured the attention of the scientific community due to the wide range of unique properties at nanometer-scale thicknesses. While significant exploratory research in 2D materials has been achieved, the understanding of 2D electronic transport and carrier dynamics remains in a nascent stage. Furthermore, because prior review articles have provided general overviews of 2D materials or specifically focused on charge transport in graphene, here we instead highlight charge transport mechanisms in post-graphene 2D materials, with particular emphasis on transition metal dichalcogenides and black phosphorus. For these systems, we delineate the intricacies of electronic transport, including band structure control with thickness and external fields, valley polarization, scattering mechanisms, electrical contacts, and doping. In addition, electronic interactions between 2D materials are considered in the form of van der Waals heterojunctions and composite films. This review concludes with a perspective on the most promising future directions in this fast-evolving field.

  7. Stress distribution in two-dimensional silos

    Science.gov (United States)

    Blanco-Rodríguez, Rodolfo; Pérez-Ángel, Gabriel

    2018-01-01

    Simulations of a polydispersed two-dimensional silo were performed using molecular dynamics, with different numbers of grains reaching up to 64 000, verifying numerically the model derived by Janssen and also the main assumption that the walls carry part of the weight due to the static friction between grains with themselves and those with the silo's walls. We vary the friction coefficient, the radii dispersity, the silo width, and the size of grains. We find that the Janssen's model becomes less relevant as the the silo width increases since the behavior of the stresses becomes more hydrostatic. Likewise, we get the normal and tangential stress distribution on the walls evidencing the existence of points of maximum stress. We also obtained the stress matrix with which we observe zones of concentration of load, located always at a height around two thirds of the granular columns. Finally, we observe that the size of the grains affects the distribution of stresses, increasing the weight on the bottom and reducing the normal stress on the walls, as the grains are made smaller (for the same total mass of the granulate), giving again a more hydrostatic and therefore less Janssen-type behavior for the weight of the column.

  8. Asymptotics for Two-dimensional Atoms

    DEFF Research Database (Denmark)

    Nam, Phan Thanh; Portmann, Fabian; Solovej, Jan Philip

    2012-01-01

    We prove that the ground state energy of an atom confined to two dimensions with an infinitely heavy nucleus of charge $Z>0$ and $N$ quantum electrons of charge -1 is $E(N,Z)=-{1/2}Z^2\\ln Z+(E^{\\TF}(\\lambda)+{1/2}c^{\\rm H})Z^2+o(Z^2)$ when $Z\\to \\infty$ and $N/Z\\to \\lambda$, where $E^{\\TF}(\\lambd......We prove that the ground state energy of an atom confined to two dimensions with an infinitely heavy nucleus of charge $Z>0$ and $N$ quantum electrons of charge -1 is $E(N,Z)=-{1/2}Z^2\\ln Z+(E^{\\TF}(\\lambda)+{1/2}c^{\\rm H})Z^2+o(Z^2)$ when $Z\\to \\infty$ and $N/Z\\to \\lambda$, where $E......^{\\TF}(\\lambda)$ is given by a Thomas-Fermi type variational problem and $c^{\\rm H}\\approx -2.2339$ is an explicit constant. We also show that the radius of a two-dimensional neutral atom is unbounded when $Z\\to \\infty$, which is contrary to the expected behavior of three-dimensional atoms....

  9. Seismic isolation of two dimensional periodic foundations

    International Nuclear Information System (INIS)

    Yan, Y.; Mo, Y. L.; Laskar, A.; Cheng, Z.; Shi, Z.; Menq, F.; Tang, Y.

    2014-01-01

    Phononic crystal is now used to control acoustic waves. When the crystal goes to a larger scale, it is called periodic structure. The band gaps of the periodic structure can be reduced to range from 0.5 Hz to 50 Hz. Therefore, the periodic structure has potential applications in seismic wave reflection. In civil engineering, the periodic structure can be served as the foundation of upper structure. This type of foundation consisting of periodic structure is called periodic foundation. When the frequency of seismic waves falls into the band gaps of the periodic foundation, the seismic wave can be blocked. Field experiments of a scaled two dimensional (2D) periodic foundation with an upper structure were conducted to verify the band gap effects. Test results showed the 2D periodic foundation can effectively reduce the response of the upper structure for excitations with frequencies within the frequency band gaps. When the experimental and the finite element analysis results are compared, they agree well with each other, indicating that 2D periodic foundation is a feasible way of reducing seismic vibrations.

  10. Two-dimensional transport of tokamak plasmas

    International Nuclear Information System (INIS)

    Hirshman, S.P.; Jardin, S.C.

    1979-01-01

    A reduced set of two-fluid transport equations is obtained from the conservation equations describing the time evolution of the differential particle number, entropy, and magnetic fluxes in an axisymmetric toroidal plasma with nested magnetic surfaces. Expanding in the small ratio of perpendicular to parallel mobilities and thermal conductivities yields as solubility constraints one-dimensional equations for the surface-averaged thermodynamic variables and magnetic fluxes. Since Ohm's law E +u x B =R', where R' accounts for any nonideal effects, only determines the particle flow relative to the diffusing magnetic surfaces, it is necessary to solve a single two-dimensional generalized differential equation, (partial/partialt) delpsi. (delp - J x B) =0, to find the absolute velocity of a magnetic surface enclosing a fixed toroidal flux. This equation is linear but nonstandard in that it involves flux surface averages of the unknown velocity. Specification of R' and the cross-field ion and electron heat fluxes provides a closed system of equations. A time-dependent coordinate transformation is used to describe the diffusion of plasma quantities through magnetic surfaces of changing shape

  11. Turbulent equipartitions in two dimensional drift convection

    International Nuclear Information System (INIS)

    Isichenko, M.B.; Yankov, V.V.

    1995-01-01

    Unlike the thermodynamic equipartition of energy in conservative systems, turbulent equipartitions (TEP) describe strongly non-equilibrium systems such as turbulent plasmas. In turbulent systems, energy is no longer a good invariant, but one can utilize the conservation of other quantities, such as adiabatic invariants, frozen-in magnetic flux, entropy, or combination thereof, in order to derive new, turbulent quasi-equilibria. These TEP equilibria assume various forms, but in general they sustain spatially inhomogeneous distributions of the usual thermodynamic quantities such as density or temperature. This mechanism explains the effects of particle and energy pinch in tokamaks. The analysis of the relaxed states caused by turbulent mixing is based on the existence of Lagrangian invariants (quantities constant along fluid-particle or other orbits). A turbulent equipartition corresponds to the spatially uniform distribution of relevant Lagrangian invariants. The existence of such turbulent equilibria is demonstrated in the simple model of two dimensional electrostatically turbulent plasma in an inhomogeneous magnetic field. The turbulence is prescribed, and the turbulent transport is assumed to be much stronger than the classical collisional transport. The simplicity of the model makes it possible to derive the equations describing the relaxation to the TEP state in several limits

  12. Radiation effects on two-dimensional materials

    Energy Technology Data Exchange (ETDEWEB)

    Walker, R.C. II; Robinson, J.A. [Department of Materials Science, Penn State, University Park, PA (United States); Center for Two-Dimensional Layered Materials, Penn State, University Park, PA (United States); Shi, T. [Department of Mechanical and Nuclear Engineering, Penn State, University Park, PA (United States); Department of Nuclear Engineering and Radiological Sciences, University of Michigan, Ann Arbor, MI (United States); Silva, E.C. [GlobalFoundries, Malta, NY (United States); Jovanovic, I. [Department of Nuclear Engineering and Radiological Sciences, University of Michigan, Ann Arbor, MI (United States)

    2016-12-15

    The effects of electromagnetic and particle irradiation on two-dimensional materials (2DMs) are discussed in this review. Radiation creates defects that impact the structure and electronic performance of materials. Determining the impact of these defects is important for developing 2DM-based devices for use in high-radiation environments, such as space or nuclear reactors. As such, most experimental studies have been focused on determining total ionizing dose damage to 2DMs and devices. Total dose experiments using X-rays, gamma rays, electrons, protons, and heavy ions are summarized in this review. We briefly discuss the possibility of investigating single event effects in 2DMs based on initial ion beam irradiation experiments and the development of 2DM-based integrated circuits. Additionally, beneficial uses of irradiation such as ion implantation to dope materials or electron-beam and helium-beam etching to shape materials have begun to be used on 2DMs and are reviewed as well. For non-ionizing radiation, such as low-energy photons, we review the literature on 2DM-based photo-detection from terahertz to UV. The majority of photo-detecting devices operate in the visible and UV range, and for this reason they are the focus of this review. However, we review the progress in developing 2DMs for detecting infrared and terahertz radiation. (copyright 2016 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

  13. Buckled two-dimensional Xene sheets.

    Science.gov (United States)

    Molle, Alessandro; Goldberger, Joshua; Houssa, Michel; Xu, Yong; Zhang, Shou-Cheng; Akinwande, Deji

    2017-02-01

    Silicene, germanene and stanene are part of a monoelemental class of two-dimensional (2D) crystals termed 2D-Xenes (X = Si, Ge, Sn and so on) which, together with their ligand-functionalized derivatives referred to as Xanes, are comprised of group IVA atoms arranged in a honeycomb lattice - similar to graphene but with varying degrees of buckling. Their electronic structure ranges from trivial insulators, to semiconductors with tunable gaps, to semi-metallic, depending on the substrate, chemical functionalization and strain. More than a dozen different topological insulator states are predicted to emerge, including the quantum spin Hall state at room temperature, which, if realized, would enable new classes of nanoelectronic and spintronic devices, such as the topological field-effect transistor. The electronic structure can be tuned, for example, by changing the group IVA element, the degree of spin-orbit coupling, the functionalization chemistry or the substrate, making the 2D-Xene systems promising multifunctional 2D materials for nanotechnology. This Perspective highlights the current state of the art and future opportunities in the manipulation and stability of these materials, their functions and applications, and novel device concepts.

  14. An NMR log echo data de-noising method based on the wavelet packet threshold algorithm

    International Nuclear Information System (INIS)

    Meng, Xiangning; Xie, Ranhong; Li, Changxi; Hu, Falong; Li, Chaoliu; Zhou, Cancan

    2015-01-01

    To improve the de-noising effects of low signal-to-noise ratio (SNR) nuclear magnetic resonance (NMR) log echo data, this paper applies the wavelet packet threshold algorithm to the data. The principle of the algorithm is elaborated in detail. By comparing the properties of a series of wavelet packet bases and the relevance between them and the NMR log echo train signal, ‘sym7’ is found to be the optimal wavelet packet basis of the wavelet packet threshold algorithm to de-noise the NMR log echo train signal. A new method is presented to determine the optimal wavelet packet decomposition scale; this is within the scope of its maximum, using the modulus maxima and the Shannon entropy minimum standards to determine the global and local optimal wavelet packet decomposition scales, respectively. The results of applying the method to the simulated and actual NMR log echo data indicate that compared with the wavelet threshold algorithm, the wavelet packet threshold algorithm, which shows higher decomposition accuracy and better de-noising effect, is much more suitable for de-noising low SNR–NMR log echo data. (paper)

  15. Application of NMR Screening Methods with 19F Detection to Fluorinated Compounds Bound to Proteins

    Directory of Open Access Journals (Sweden)

    Kazuo Furihata

    2017-12-01

    Full Text Available The combinational use of one-dimensional (1D NMR-based screening techniques with 1H and 19F detections were applied to a human serum albumin–diflunisal complex. Since most NMR screening methods observe 1H spectra, the overlapped 1H signals were unavailable in the binding epitope mapping. However, the NMR experiments with 19F detection can be used as an effective complementary method. For the purpose of identifying the 1H and 19F binding epitopes of diflunisal, this paper carries out a combinatorial analysis using 1H{1H} and 19F{1H} saturation transfer difference experiments. The differences of the 1H-inversion recovery rates with and without target irradiation are also analyzed for a comprehensive interpretation of binding epitope mapping.

  16. Nonlinear aerodynamics of two-dimensional airfoils in severe maneuver

    Science.gov (United States)

    Scott, Matthew T.; Mccune, James E.

    1988-01-01

    This paper presents a nonlinear theory of forces and moment acting on a two-dimensional airfoil in unsteady potential flow. Results are obtained for cases of both large and small amplitude motion. The analysis, which is based on an extension of Wagner's integral equation to the nonlinear regime, takes full advantage of the trailing wake's tendency to deform under local velocities. Interactive computational results are presented that show examples of wake-induced lift and moment augmentation on the order of 20 percent of quasi-static values. The expandability and flexibility of the present computational method are noted, as well as the relative speed with which solutions are obtained.

  17. Field analysis of two-dimensional focusing grating

    OpenAIRE

    Borsboom, P.P.; Frankena, H.J.

    1995-01-01

    The method that we have developed [P-P. Borsboom, Ph.D. dissertation (Delft University of Technology, Delft, The Netherlands); P-P. Borsboom and H. J. Frankena, J. Opt. Soc. Am. A 12, 1134–1141 (1995)] is successfully applied to a two-dimensional focusing grating coupler. The field in the focal region has been determined for symmetrical chirped gratings consisting of as many as 124 corrugations. The intensity distribution in the focal region agrees well with the approximate predictions of geo...

  18. Cavalier perspective plots of two-dimensional matrices. Program Stereo

    International Nuclear Information System (INIS)

    Los Arcos Merino, J.M.

    1978-01-01

    The program Stereo allows representation of a two-dimensional matrix containing numerical data, in the form of a cavalier perspective, isometric or not, with an angle variable between 0 deg and 180 deg. The representation is in histogram form for each matrix row and those curves which fall behind higher curves and therefore would not be seen are suppressed. It has been written in Fortran V for a Calcomp-936 digital plotter operating off-line with a Univac 1106 computer. Drawing method, subroutine structure and running instructions are described in this paper. (author)

  19. Bosonization in a two-dimensional Riemann Cartan geometry

    International Nuclear Information System (INIS)

    Denardo, G.; Spallucci, E.

    1987-01-01

    We study the vacuum functional for a Dirac field in a two dimensional Riemann-Cartan geometry. Torsion is treated as a quantum variable while the metric is considered as a classical background field. Decoupling spinors from the non-Riemannian part of the geometry introduces a chiral Jacobian into the vacuum generating functional. We compute this functional Jacobian determinant by means of the Alvarez method. Finally, we show that the effective action for the background geometry is of the Liouville type and does not preserve any memory of the initial torsion field. (author)

  20. Two-dimensional collapse calculations of cylindrical clouds

    International Nuclear Information System (INIS)

    Bastien, P.; Mitalas, R.

    1979-01-01

    A two-dimensional hydrodynamic computer code has been extensively modified and expanded to study the collapse of non-rotating interstellar clouds. The physics and the numerical methods involved are discussed. The results are presented and discussed in terms of the Jeans number. The critical Jeans number for collapse of non-rotating cylindrical clouds whose length is the same as their diameter is 1.00. No evidence for fragmentation has been found for these clouds, but fragmentation seems quite likely for more elongated cylindrical clouds. (author)

  1. Graphene and Two-Dimensional Materials for Optoelectronic Applications

    Directory of Open Access Journals (Sweden)

    Andreas Bablich

    2016-03-01

    Full Text Available This article reviews optoelectronic devices based on graphene and related two-dimensional (2D materials. The review includes basic considerations of process technology, including demonstrations of 2D heterostructure growth, and comments on the scalability and manufacturability of the growth methods. We then assess the potential of graphene-based transparent conducting electrodes. A major part of the review describes photodetectors based on lateral graphene p-n junctions and Schottky diodes. Finally, the progress in vertical devices made from 2D/3D heterojunctions, as well as all-2D heterostructures is discussed.

  2. Minimal quantization of two-dimensional models with chiral anomalies

    International Nuclear Information System (INIS)

    Ilieva, N.

    1987-01-01

    Two-dimensional gauge models with chiral anomalies - ''left-handed'' QED and the chiral Schwinger model, are quantized consistently in the frames of the minimal quantization method. The choice of the cone time as a physical time for system of quantization is motivated. The well-known mass spectrum is found but with a fixed value of the regularization parameter a=2. Such a unique solution is obtained due to the strong requirement of consistency of the minimal quantization that reflects in the physically motivated choice of the time axis

  3. BRST quantization of Polyakov's two-dimensional gravity

    International Nuclear Information System (INIS)

    Itoh, Katsumi

    1990-01-01

    Two-dimensional gravity coupled to minimal models is quantized in the chiral gauge by the BRST method. By using the Wakimoto construction for the gravity sector, we show how the quartet mechanism of Kugo and Ojima works and solve the physical state condition. As a result the positive semi-definiteness of the physical subspace is shown. The formula of Knizhnik et al. for gravitational scaling dimensions is rederived from the physical state condition. We also observe a relation between the chiral gauge and the conformal gauge. (orig.)

  4. Discrete formulation for two-dimensional multigroup neutron diffusion equations

    Energy Technology Data Exchange (ETDEWEB)

    Vosoughi, Naser E-mail: vosoughi@mehr.sharif.edu; Salehi, Ali A.; Shahriari, Majid

    2003-02-01

    The objective of this paper is to introduce a new numerical method for neutronic calculation in a reactor core. This method can produce the final finite form of the neutron diffusion equation by classifying the neutronic variables and using two kinds of cell complexes without starting from the conventional differential form of the neutron diffusion equation. The method with linear interpolation produces the same convergence as the linear continuous finite element method. The quadratic interpolation is proven; the convergence order depends on the shape of the dual cell. The maximum convergence order is achieved by choosing the dual cell based on two Gauss' points. The accuracy of the method was examined with a well-known IAEA two-dimensional benchmark problem. The numerical results demonstrate the effectiveness of the new method.

  5. Discrete formulation for two-dimensional multigroup neutron diffusion equations

    International Nuclear Information System (INIS)

    Vosoughi, Naser; Salehi, Ali A.; Shahriari, Majid

    2003-01-01

    The objective of this paper is to introduce a new numerical method for neutronic calculation in a reactor core. This method can produce the final finite form of the neutron diffusion equation by classifying the neutronic variables and using two kinds of cell complexes without starting from the conventional differential form of the neutron diffusion equation. The method with linear interpolation produces the same convergence as the linear continuous finite element method. The quadratic interpolation is proven; the convergence order depends on the shape of the dual cell. The maximum convergence order is achieved by choosing the dual cell based on two Gauss' points. The accuracy of the method was examined with a well-known IAEA two-dimensional benchmark problem. The numerical results demonstrate the effectiveness of the new method

  6. A New Method of Estimating Wind Tunnel Wall Interference in the Unsteady Two-Dimensional Flow (Nouvelle Methode D’Estimation de la Perturbation des Ecoulements Instationnaires par les Parois d’une Soufflerie).

    Science.gov (United States)

    1983-01-01

    disturbance theory . The main feature of the method is the use of measured pressure along lines in the flow direction near the tunnel walls. This method...disturbance theory , then $can be written ( , = qo( , ) .@ (:. S-in(.t + 0.( or s CO (8) Defining cw as co S . ^(9) gives Sin= C, f(4,.) + OCr,z)co.s(0t...AUTHOR (S)/ AUTEUR (S) H. Sawada, visiting scientist 2nd Aerodynamics Division, National Aerospace Laboratory, Japan SERIES/SERIE Aeronautical Note 6

  7. Validation of quantitative 1H NMR method for the analysis of pharmaceutical formulations

    International Nuclear Information System (INIS)

    Santos, Maiara da S.

    2013-01-01

    The need for effective and reliable quality control in products from pharmaceutical industries renders the analyses of their active ingredients and constituents of great importance. This study presents the theoretical basis of ¹H NMR for quantitative analyses and an example of the method validation according to Resolution RE N. 899 by the Brazilian National Health Surveillance Agency (ANVISA), in which the compound paracetamol was the active ingredient. All evaluated parameters (selectivity, linearity, accuracy, repeatability and robustness) showed satisfactory results. It was concluded that a single NMR measurement provides structural and quantitative information of active components and excipients in the sample. (author)

  8. Structural variation study of cobalt nanoparticles synthesized by co-precipitation method using 59Co NMR

    Science.gov (United States)

    Manjunatha, M.; Kumar, Rajeev; B. M., Siddesh; Sahoo, Balaram; Damle, R.; Ramesh, K. P.

    2018-04-01

    We have synthesized cobalt nanoparticles using co-precipitation method. Further, the two phases of the cobalt is monitored by varying the synthesis parameters. 59Co NMR and XRD are used as characterization tools to study the phase variation in the cobalt samples. XRD and NMR results show a remarkable correlation in the two samples (Co-1 and Co-2). Co-2 has predominant fcc and hcp phases, whereas, Co-1 has fcc phase with lower amount of hcp. Both the samples show same saturation magnetization (Ms) but there is a remarkable difference in the phase composition. Thus, 59Co NMR appears to be a good tool to identify the phase purity of the ferromagnetic cobalt samples.

  9. Optimized slice-selective 1H NMR experiments combined with highly accurate quantitative 13C NMR using an internal reference method

    Science.gov (United States)

    Jézéquel, Tangi; Silvestre, Virginie; Dinis, Katy; Giraudeau, Patrick; Akoka, Serge

    2018-04-01

    Isotope ratio monitoring by 13C NMR spectrometry (irm-13C NMR) provides the complete 13C intramolecular position-specific composition at natural abundance. It represents a powerful tool to track the (bio)chemical pathway which has led to the synthesis of targeted molecules, since it allows Position-specific Isotope Analysis (PSIA). Due to the very small composition range (which represents the range of variation of the isotopic composition of a given nuclei) of 13C natural abundance values (50‰), irm-13C NMR requires a 1‰ accuracy and thus highly quantitative analysis by 13C NMR. Until now, the conventional strategy to determine the position-specific abundance xi relies on the combination of irm-MS (isotopic ratio monitoring Mass Spectrometry) and 13C quantitative NMR. However this approach presents a serious drawback since it relies on two different techniques and requires to measure separately the signal of all the carbons of the analyzed compound, which is not always possible. To circumvent this constraint, we recently proposed a new methodology to perform 13C isotopic analysis using an internal reference method and relying on NMR only. The method combines a highly quantitative 1H NMR pulse sequence (named DWET) with a 13C isotopic NMR measurement. However, the recently published DWET sequence is unsuited for samples with short T1, which forms a serious limitation for irm-13C NMR experiments where a relaxing agent is added. In this context, we suggest two variants of the DWET called Multi-WET and Profiled-WET, developed and optimized to reach the same accuracy of 1‰ with a better immunity towards T1 variations. Their performance is evaluated on the determination of the 13C isotopic profile of vanillin. Both pulse sequences show a 1‰ accuracy with an increased robustness to pulse miscalibrations compared to the initial DWET method. This constitutes a major advance in the context of irm-13C NMR since it is now possible to perform isotopic analysis with high

  10. ABOUT SOLUTION OF MULTIPOINT BOUNDARY PROBLEMS OF TWO-DIMENSIONAL STRUCTURAL ANALYSIS WITH THE USE OF COMBINED APPLICATION OF FINITE ELEMENT METHOD AND DISCRETE-CONTINUAL FINITE ELEMENT METHOD PART 2: SPECIAL ASPECTS OF FINITE ELEMENT APPROXIMATION

    Directory of Open Access Journals (Sweden)

    Pavel A. Akimov

    2017-12-01

    Full Text Available As is well known, the formulation of a multipoint boundary problem involves three main components: a description of the domain occupied by the structure and the corresponding subdomains; description of the conditions inside the domain and inside the corresponding subdomains, the description of the conditions on the boundary of the domain, conditions on the boundaries between subdomains. This paper is a continuation of another work published earlier, in which the formulation and general principles of the approximation of the multipoint boundary problem of a static analysis of deep beam on the basis of the joint application of the finite element method and the discrete-continual finite element method were considered. It should be noted that the approximation within the fragments of a domain that have regular physical-geometric parameters along one of the directions is expedient to be carried out on the basis of the discrete-continual finite element method (DCFEM, and for the approximation of all other fragments it is necessary to use the standard finite element method (FEM. In the present publication, the formulas for the computing of displacements partial derivatives of displacements, strains and stresses within the finite element model (both within the finite element and the corresponding nodal values (with the use of averaging are presented. Boundary conditions between subdomains (respectively, discrete models and discrete-continual models and typical conditions such as “hinged support”, “free edge”, “perfect contact” (twelve basic (basic variants are available are under consideration as well. Governing formulas for computing of elements of the corresponding matrices of coefficients and vectors of the right-hand sides are given for each variant. All formulas are fully adapted for algorithmic implementation.

  11. Statistical mechanics of two-dimensional and geophysical flows

    International Nuclear Information System (INIS)

    Bouchet, Freddy; Venaille, Antoine

    2012-01-01

    The theoretical study of the self-organization of two-dimensional and geophysical turbulent flows is addressed based on statistical mechanics methods. This review is a self-contained presentation of classical and recent works on this subject; from the statistical mechanics basis of the theory up to applications to Jupiter’s troposphere and ocean vortices and jets. Emphasize has been placed on examples with available analytical treatment in order to favor better understanding of the physics and dynamics. After a brief presentation of the 2D Euler and quasi-geostrophic equations, the specificity of two-dimensional and geophysical turbulence is emphasized. The equilibrium microcanonical measure is built from the Liouville theorem. Important statistical mechanics concepts (large deviations and mean field approach) and thermodynamic concepts (ensemble inequivalence and negative heat capacity) are briefly explained and described. On this theoretical basis, we predict the output of the long time evolution of complex turbulent flows as statistical equilibria. This is applied to make quantitative models of two-dimensional turbulence, the Great Red Spot and other Jovian vortices, ocean jets like the Gulf-Stream, and ocean vortices. A detailed comparison between these statistical equilibria and real flow observations is provided. We also present recent results for non-equilibrium situations, for the studies of either the relaxation towards equilibrium or non-equilibrium steady states. In this last case, forces and dissipation are in a statistical balance; fluxes of conserved quantity characterize the system and microcanonical or other equilibrium measures no longer describe the system.

  12. Fast acquisition of multidimensional NMR spectra of solids and mesophases using alternative sampling methods.

    Science.gov (United States)

    Lesot, Philippe; Kazimierczuk, Krzysztof; Trébosc, Julien; Amoureux, Jean-Paul; Lafon, Olivier

    2015-11-01

    Unique information about the atom-level structure and dynamics of solids and mesophases can be obtained by the use of multidimensional nuclear magnetic resonance (NMR) experiments. Nevertheless, the acquisition of these experiments often requires long acquisition times. We review here alternative sampling methods, which have been proposed to circumvent this issue in the case of solids and mesophases. Compared to the spectra of solutions, those of solids and mesophases present some specificities because they usually display lower signal-to-noise ratios, non-Lorentzian line shapes, lower spectral resolutions and wider spectral widths. We highlight herein the advantages and limitations of these alternative sampling methods. A first route to accelerate the acquisition time of multidimensional NMR spectra consists in the use of sparse sampling schemes, such as truncated, radial or random sampling ones. These sparsely sampled datasets are generally processed by reconstruction methods differing from the Discrete Fourier Transform (DFT). A host of non-DFT methods have been applied for solids and mesophases, including the G-matrix Fourier transform, the linear least-square procedures, the covariance transform, the maximum entropy and the compressed sensing. A second class of alternative sampling consists in departing from the Jeener paradigm for multidimensional NMR experiments. These non-Jeener methods include Hadamard spectroscopy as well as spatial or orientational encoding of the evolution frequencies. The increasing number of high field NMR magnets and the development of techniques to enhance NMR sensitivity will contribute to widen the use of these alternative sampling methods for the study of solids and mesophases in the coming years. Copyright © 2015 John Wiley & Sons, Ltd.

  13. High-resolution nuclear magnetic resonance measurements in inhomogeneous magnetic fields: A fast two-dimensional J-resolved experiment

    Energy Technology Data Exchange (ETDEWEB)

    Huang, Yuqing; Cai, Shuhui; Yang, Yu; Sun, Huijun; Lin, Yanqin, E-mail: linyq@xmu.edu.cn, E-mail: chenz@xmu.edu.cn; Chen, Zhong, E-mail: linyq@xmu.edu.cn, E-mail: chenz@xmu.edu.cn [Department of Electronic Science, Fujian Provincial Key Laboratory of Plasma and Magnetic Resonance, State Key Laboratory for Physical Chemistry of Solid Surfaces, Xiamen University, Xiamen 361005 (China); Lin, Yung-Ya [Department of Chemistry and Biochemistry, University of California, Los Angeles, California 90095 (United States)

    2016-03-14

    High spectral resolution in nuclear magnetic resonance (NMR) is a prerequisite for achieving accurate information relevant to molecular structures and composition assignments. The continuous development of superconducting magnets guarantees strong and homogeneous static magnetic fields for satisfactory spectral resolution. However, there exist circumstances, such as measurements on biological tissues and heterogeneous chemical samples, where the field homogeneity is degraded and spectral line broadening seems inevitable. Here we propose an NMR method, named intermolecular zero-quantum coherence J-resolved spectroscopy (iZQC-JRES), to face the challenge of field inhomogeneity and obtain desired high-resolution two-dimensional J-resolved spectra with fast acquisition. Theoretical analyses for this method are given according to the intermolecular multiple-quantum coherence treatment. Experiments on (a) a simple chemical solution and (b) an aqueous solution of mixed metabolites under externally deshimmed fields, and on (c) a table grape sample with intrinsic field inhomogeneity from magnetic susceptibility variations demonstrate the feasibility and applicability of the iZQC-JRES method. The application of this method to inhomogeneous chemical and biological samples, maybe in vivo samples, appears promising.

  14. Two-dimensional vibrational-electronic spectroscopy

    Science.gov (United States)

    Courtney, Trevor L.; Fox, Zachary W.; Slenkamp, Karla M.; Khalil, Munira

    2015-10-01

    Two-dimensional vibrational-electronic (2D VE) spectroscopy is a femtosecond Fourier transform (FT) third-order nonlinear technique that creates a link between existing 2D FT spectroscopies in the vibrational and electronic regions of the spectrum. 2D VE spectroscopy enables a direct measurement of infrared (IR) and electronic dipole moment cross terms by utilizing mid-IR pump and optical probe fields that are resonant with vibrational and electronic transitions, respectively, in a sample of interest. We detail this newly developed 2D VE spectroscopy experiment and outline the information contained in a 2D VE spectrum. We then use this technique and its single-pump counterpart (1D VE) to probe the vibrational-electronic couplings between high frequency cyanide stretching vibrations (νCN) and either a ligand-to-metal charge transfer transition ([FeIII(CN)6]3- dissolved in formamide) or a metal-to-metal charge transfer (MMCT) transition ([(CN)5FeIICNRuIII(NH3)5]- dissolved in formamide). The 2D VE spectra of both molecules reveal peaks resulting from coupled high- and low-frequency vibrational modes to the charge transfer transition. The time-evolving amplitudes and positions of the peaks in the 2D VE spectra report on coherent and incoherent vibrational energy transfer dynamics among the coupled vibrational modes and the charge transfer transition. The selectivity of 2D VE spectroscopy to vibronic processes is evidenced from the selective coupling of specific νCN modes to the MMCT transition in the mixed valence complex. The lineshapes in 2D VE spectra report on the correlation of the frequency fluctuations between the coupled vibrational and electronic frequencies in the mixed valence complex which has a time scale of 1 ps. The details and results of this study confirm the versatility of 2D VE spectroscopy and its applicability to probe how vibrations modulate charge and energy transfer in a wide range of complex molecular, material, and biological systems.

  15. Two-dimensional vibrational-electronic spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Courtney, Trevor L.; Fox, Zachary W.; Slenkamp, Karla M.; Khalil, Munira, E-mail: mkhalil@uw.edu [Department of Chemistry, University of Washington, Box 351700, Seattle, Washington 98195 (United States)

    2015-10-21

    Two-dimensional vibrational-electronic (2D VE) spectroscopy is a femtosecond Fourier transform (FT) third-order nonlinear technique that creates a link between existing 2D FT spectroscopies in the vibrational and electronic regions of the spectrum. 2D VE spectroscopy enables a direct measurement of infrared (IR) and electronic dipole moment cross terms by utilizing mid-IR pump and optical probe fields that are resonant with vibrational and electronic transitions, respectively, in a sample of interest. We detail this newly developed 2D VE spectroscopy experiment and outline the information contained in a 2D VE spectrum. We then use this technique and its single-pump counterpart (1D VE) to probe the vibrational-electronic couplings between high frequency cyanide stretching vibrations (ν{sub CN}) and either a ligand-to-metal charge transfer transition ([Fe{sup III}(CN){sub 6}]{sup 3−} dissolved in formamide) or a metal-to-metal charge transfer (MMCT) transition ([(CN){sub 5}Fe{sup II}CNRu{sup III}(NH{sub 3}){sub 5}]{sup −} dissolved in formamide). The 2D VE spectra of both molecules reveal peaks resulting from coupled high- and low-frequency vibrational modes to the charge transfer transition. The time-evolving amplitudes and positions of the peaks in the 2D VE spectra report on coherent and incoherent vibrational energy transfer dynamics among the coupled vibrational modes and the charge transfer transition. The selectivity of 2D VE spectroscopy to vibronic processes is evidenced from the selective coupling of specific ν{sub CN} modes to the MMCT transition in the mixed valence complex. The lineshapes in 2D VE spectra report on the correlation of the frequency fluctuations between the coupled vibrational and electronic frequencies in the mixed valence complex which has a time scale of 1 ps. The details and results of this study confirm the versatility of 2D VE spectroscopy and its applicability to probe how vibrations modulate charge and energy transfer in a

  16. Bayesian approach for peak detection in two-dimensional chromatography.

    Science.gov (United States)

    Vivó-Truyols, Gabriel

    2012-03-20

    A new method for peak detection in two-dimensional chromatography is presented. In a first step, the method starts with a conventional one-dimensional peak detection algorithm to detect modulated peaks. In a second step, a sophisticated algorithm is constructed to decide which of the individual one-dimensional peaks have been originated from the same compound and should then be arranged in a two-dimensional peak. The merging algorithm is based on Bayesian inference. The user sets prior information about certain parameters (e.g., second-dimension retention time variability, first-dimension band broadening, chromatographic noise). On the basis of these priors, the algorithm calculates the probability of myriads of peak arrangements (i.e., ways of merging one-dimensional peaks), finding which of them holds the highest value. Uncertainty in each parameter can be accounted by adapting conveniently its probability distribution function, which in turn may change the final decision of the most probable peak arrangement. It has been demonstrated that the Bayesian approach presented in this paper follows the chromatographers' intuition. The algorithm has been applied and tested with LC × LC and GC × GC data and takes around 1 min to process chromatograms with several thousands of peaks.

  17. Optimized set of two-dimensional experiments for fast sequential assignment, secondary structure determination, and backbone fold validation of 13C/15N-labelled proteins

    International Nuclear Information System (INIS)

    Bersch, Beate; Rossy, Emmanuel; Coves, Jacques; Brutscher, Bernhard

    2003-01-01

    NMR experiments are presented which allow backbone resonance assignment, secondary structure identification, and in favorable cases also molecular fold topology determination from a series of two-dimensional 1 H- 15 N HSQC-like spectra. The 1 H- 15 N correlation peaks are frequency shifted by an amount ± ω X along the 15 N dimension, where ω X is the C α , C β , or H α frequency of the same or the preceding residue. Because of the low dimensionality (2D) of the experiments, high-resolution spectra are obtained in a short overall experimental time. The whole series of seven experiments can be performed in typically less than one day. This approach significantly reduces experimental time when compared to the standard 3D-based methods. The here presented methodology is thus especially appealing in the context of high-throughput NMR studies of protein structure, dynamics or molecular interfaces

  18. Mode selection in two-dimensional Bragg resonators based on planar dielectric waveguides

    International Nuclear Information System (INIS)

    Baryshev, V R; Ginzburg, N S; Zaslavskii, V Yu; Malkin, A M; Sergeev, A S; Thumm, M

    2009-01-01

    Two-dimensional Bragg resonators based on planar dielectric waveguides are analysed. It is shown that the doubly periodic corrugation deposited on the dielectric surface in the form of two gratings with translational vectors directed perpendicular to each other ensures effective selection of modes along two coordinates at large Fresnel parameters. This result is obtained both by the method of coupled waves (geometrical optics approximation) and by the direct numerical simulations. Two-dimensional Bragg resonators make it possible to fabricate two-dimensional distributed feedback lasers and to provide generation of spatially coherent radiation in large-volume active media. (waveguides)

  19. Strain-engineered growth of two-dimensional materials.

    Science.gov (United States)

    Ahn, Geun Ho; Amani, Matin; Rasool, Haider; Lien, Der-Hsien; Mastandrea, James P; Ager Iii, Joel W; Dubey, Madan; Chrzan, Daryl C; Minor, Andrew M; Javey, Ali

    2017-09-20

    The application of strain to semiconductors allows for controlled modification of their band structure. This principle is employed for the manufacturing of devices ranging from high-performance transistors to solid-state lasers. Traditionally, strain is typically achieved via growth on lattice-mismatched substrates. For two-dimensional (2D) semiconductors, this is not feasible as they typically do not interact epitaxially with the substrate. Here, we demonstrate controlled strain engineering of 2D semiconductors during synthesis by utilizing the thermal coefficient of expansion mismatch between the substrate and semiconductor. Using WSe 2 as a model system, we demonstrate stable built-in strains ranging from 1% tensile to 0.2% compressive on substrates with different thermal coefficient of expansion. Consequently, we observe a dramatic modulation of the band structure, manifested by a strain-driven indirect-to-direct bandgap transition and brightening of the dark exciton in bilayer and monolayer WSe 2 , respectively. The growth method developed here should enable flexibility in design of more sophisticated devices based on 2D materials.Strain engineering is an essential tool for modifying local electronic properties in silicon-based electronics. Here, Ahn et al. demonstrate control of biaxial strain in two-dimensional materials based on the growth substrate, enabling more complex low-dimensional electronics.

  20. Two dimensional kinetic analysis of electrostatic harmonic plasma waves

    Energy Technology Data Exchange (ETDEWEB)

    Fonseca-Pongutá, E. C.; Ziebell, L. F.; Gaelzer, R. [Instituto de Física, UFRGS, 91501-970 Porto Alegre, RS (Brazil); Yoon, P. H. [IPST, University of Maryland, College Park, Maryland 20742 (United States); SSR, Kyung Hee University, Yongin, Gyeonggi 446-701 (Korea, Republic of)

    2016-06-15

    Electrostatic harmonic Langmuir waves are virtual modes excited in weakly turbulent plasmas, first observed in early laboratory beam-plasma experiments as well as in rocket-borne active experiments in space. However, their unequivocal presence was confirmed through computer simulated experiments and subsequently theoretically explained. The peculiarity of harmonic Langmuir waves is that while their existence requires nonlinear response, their excitation mechanism and subsequent early time evolution are governed by essentially linear process. One of the unresolved theoretical issues regards the role of nonlinear wave-particle interaction process over longer evolution time period. Another outstanding issue is that existing theories for these modes are limited to one-dimensional space. The present paper carries out two dimensional theoretical analysis of fundamental and (first) harmonic Langmuir waves for the first time. The result shows that harmonic Langmuir wave is essentially governed by (quasi)linear process and that nonlinear wave-particle interaction plays no significant role in the time evolution of the wave spectrum. The numerical solutions of the two-dimensional wave spectra for fundamental and harmonic Langmuir waves are also found to be consistent with those obtained by direct particle-in-cell simulation method reported in the literature.

  1. Two-dimensional goodness-of-fit testing in astronomy

    International Nuclear Information System (INIS)

    Peacock, J.A

    1983-01-01

    This paper deals with the techniques available to test for consistency between the empirical distribution of data points on a plane and a hypothetical density law. Two new statistical tests are developed. The first is a two-dimensional version of the Kolmogorov-Smirnov test, for which the distribution of the test statistic is investigated using a Monte Carlo method. This test is found in practice to be very nearly distribution-free, and empirical formulae for the confidence levels are given. Secondly, the method of power-spectrum analysis is extended to deal with cases in which the null hypothesis is not a uniform distribution. These methods are illustrated by application to the distribution of quasar candidates found on an objective-prism plate of the Virgo Cluster. (author)

  2. Quantum control with NMR methods: Application to quantum simulations

    International Nuclear Information System (INIS)

    Negrevergne, Camille

    2002-01-01

    Manipulating information according to quantum laws allows improvements in the efficiency of the way we treat certain problems. Liquid state Nuclear Magnetic Resonance methods allow us to initialize, manipulate and read the quantum state of a system of coupled spins. These methods have been used to realize an experimental small Quantum Information Processor (QIP) able to process information through around hundred elementary operations. One of the main themes of this work was to design, optimize and validate reliable RF-pulse sequences used to 'program' the QIP. Such techniques have been used to run a quantum simulation algorithm for anionic systems. Some experimental results have been obtained on the determination of Eigen energies and correlation function for a toy problem consisting of fermions on a lattice, showing an experimental proof of principle for such quantum simulations. (author) [fr

  3. On-line comprehensive two-dimensional normal-phase liquid chromatography × reversed-phase liquid chromatography for preparative isolation of Peucedanum praeruptorum.

    Science.gov (United States)

    Wang, Xin-Yuan; Li, Jia-Fu; Jian, Ya-Mei; Wu, Zhen; Fang, Mei-Juan; Qiu, Ying-Kun

    2015-03-27

    A new on-line comprehensive preparative two-dimensional normal-phase liquid chromatography × reversed-phase liquid chromatography (2D NPLC × RPLC) system was developed for the separation of complicated natural products. It was based on the use of a silica gel packed medium-pressure column as the first dimension and an ODS preparative HPLC column as the second dimension. The two dimensions were connected with normal-phase (NP) and reversed-phase (RP) enrichment units, involving a newly developed airflow assisted adsorption (AAA) technique. The instrument operation and the performance of this NPLC × RPLC separation method were illustrated by gram-scale isolation of ethanol extract from the roots of Peucedanum praeruptorum. In total, 19 compounds with high purity were obtained via automated multi-step preparative separation in a short period of time using this system, and their structures were comprehensively characterized by ESI-MS, (1)H NMR, and (13)C NMR. Including two new compounds, five isomers in two groups with identical HPLC and TLC retention values were also obtained and identified by 1D NMR and 2D NMR. This is the first report of an NPLC × RPLC system successfully applied in an on-line preparative process. This system not only solved the interfacing problem of mobile-phase immiscibility caused by NP and RP separation, it also exhibited apparent advantages in separation efficiency and sample treatment capacity compared with conventional methods. Copyright © 2015 Elsevier B.V. All rights reserved.

  4. Two-dimensional PCA-based human gait identification

    Science.gov (United States)

    Chen, Jinyan; Wu, Rongteng

    2012-11-01

    It is very necessary to recognize person through visual surveillance automatically for public security reason. Human gait based identification focus on recognizing human by his walking video automatically using computer vision and image processing approaches. As a potential biometric measure, human gait identification has attracted more and more researchers. Current human gait identification methods can be divided into two categories: model-based methods and motion-based methods. In this paper a two-Dimensional Principal Component Analysis and temporal-space analysis based human gait identification method is proposed. Using background estimation and image subtraction we can get a binary images sequence from the surveillance video. By comparing the difference of two adjacent images in the gait images sequence, we can get a difference binary images sequence. Every binary difference image indicates the body moving mode during a person walking. We use the following steps to extract the temporal-space features from the difference binary images sequence: Projecting one difference image to Y axis or X axis we can get two vectors. Project every difference image in the difference binary images sequence to Y axis or X axis difference binary images sequence we can get two matrixes. These two matrixes indicate the styles of one walking. Then Two-Dimensional Principal Component Analysis(2DPCA) is used to transform these two matrixes to two vectors while at the same time keep the maximum separability. Finally the similarity of two human gait images is calculated by the Euclidean distance of the two vectors. The performance of our methods is illustrated using the CASIA Gait Database.

  5. Enhanced spectral resolution by high-dimensional NMR using the filter diagonalization method and "hidden" dimensions.

    Science.gov (United States)

    Meng, Xi; Nguyen, Bao D; Ridge, Clark; Shaka, A J

    2009-01-01

    High-dimensional (HD) NMR spectra have poorer digital resolution than low-dimensional (LD) spectra, for a fixed amount of experiment time. This has led to "reduced-dimensionality" strategies, in which several LD projections of the HD NMR spectrum are acquired, each with higher digital resolution; an approximate HD spectrum is then inferred by some means. We propose a strategy that moves in the opposite direction, by adding more time dimensions to increase the information content of the data set, even if only a very sparse time grid is used in each dimension. The full HD time-domain data can be analyzed by the filter diagonalization method (FDM), yielding very narrow resonances along all of the frequency axes, even those with sparse sampling. Integrating over the added dimensions of HD FDM NMR spectra reconstitutes LD spectra with enhanced resolution, often more quickly than direct acquisition of the LD spectrum with a larger number of grid points in each of the fewer dimensions. If the extra-dimensions do not appear in the final spectrum, and are used solely to boost information content, we propose the moniker hidden-dimension NMR. This work shows that HD peaks have unmistakable frequency signatures that can be detected as single HD objects by an appropriate algorithm, even though their patterns would be tricky for a human operator to visualize or recognize, and even if digital resolution in an HD FT spectrum is very coarse compared with natural line widths.

  6. Lie algebra contractions on two-dimensional hyperboloid

    International Nuclear Information System (INIS)

    Pogosyan, G. S.; Yakhno, A.

    2010-01-01

    The Inoenue-Wigner contraction from the SO(2, 1) group to the Euclidean E(2) and E(1, 1) group is used to relate the separation of variables in Laplace-Beltrami (Helmholtz) equations for the four corresponding two-dimensional homogeneous spaces: two-dimensional hyperboloids and two-dimensional Euclidean and pseudo-Euclidean spaces. We show how the nine systems of coordinates on the two-dimensional hyperboloids contracted to the four systems of coordinates on E 2 and eight on E 1,1 . The text was submitted by the authors in English.

  7. Getting Your Peaks in Line: A Review of Alignment Methods for NMR Spectral Data

    Directory of Open Access Journals (Sweden)

    Trung Nghia Vu

    2013-04-01

    Full Text Available One of the most significant challenges in the comparative analysis of Nuclear Magnetic Resonance (NMR metabolome profiles is the occurrence of shifts between peaks across different spectra, for example caused by fluctuations in pH, temperature, instrument factors and ion content. Proper alignment of spectral peaks is therefore often a crucial preprocessing step prior to downstream quantitative analysis. Various alignment methods have been developed specifically for this purpose. Other methods were originally developed to align other data types (GC, LC, SELDI-MS, etc., but can also be applied to NMR data. This review discusses the available methods, as well as related problems such as reference determination or the evaluation of alignment quality. We present a generic alignment framework that allows for comparison and classification of different alignment approaches according to their algorithmic principles, and we discuss their performance.

  8. Suspension and simple optical characterization of two-dimensional membranes

    Science.gov (United States)

    Northeast, David B.; Knobel, Robert G.

    2018-03-01

    We report on a method for suspending two-dimensional crystal materials in an electronic circuit using an only photoresists and solvents. Graphene and NbSe2 are suspended tens of nanometers above metal electrodes with clamping diameters of several microns. The optical cavity formed from the membrane/air/metal structures enables a quick method to measure the number of layers and the gap separation using comparisons between the expected colour and optical microscope images. This characterization technique can be used with just an illuminated microscope with a digital camera which makes it adaptable to environments where other means of characterization are not possible, such as inside nitrogen glove boxes used in handling oxygen-sensitive materials.

  9. Two-dimensional neutron scintillation detector with optimal gamma discrimination

    International Nuclear Information System (INIS)

    Kanyo, M.; Reinartz, R.; Schelten, J.; Mueller, K.D.

    1993-01-01

    The gamma sensitivity of a two-dimensional scintillation neutron detector based on position sensitive photomultipliers (Hamamatsu R2387 PM) has been minimized by a digital differential discrimination unit. Since the photomultiplier gain is position-dependent by ±25% a discrimination unit was developed where digital upper and lower discrimination levels are set due to the position-dependent photomultiplier gain obtained from calibration measurements. By this method narrow discriminator windows can be used to reduce the gamma background drastically without effecting the neutron sensitivity of the detector. The new discrimination method and its performance tested by neutron measurements will be described. Experimental results concerning spatial resolution and γ-sensitivity are presented

  10. Two dimensional tunable photonic crystals and n doped semiconductor materials

    International Nuclear Information System (INIS)

    Elsayed, Hussein A.; El-Naggar, Sahar A.; Aly, Arafa H.

    2015-01-01

    In this paper, we theoretically investigate the effect of the doping concentration on the properties of two dimensional semiconductor photonic band structures. We consider two structures; type I(II) that is composed of n doped semiconductor (air) rods arranged into a square lattice of air (n doped semiconductor). We consider three different shapes of rods. Our numerical method is based on the frequency dependent plane wave expansion method. The numerical results show that the photonic band gaps in type II are more sensitive to the changes in the doping concentration than those of type I. In addition, the width of the gap of type II is less sensitive to the shape of the rods than that of type I. Moreover, the cutoff frequency can be strongly tuned by the doping concentrations. Our structures could be of technical use in optical electronics for semiconductor applications

  11. Two-dimensional void reconstruction by neutron transmission

    International Nuclear Information System (INIS)

    Zakaib, G.D.; Harms, A.A.; Vlachopoulos, J.

    1978-01-01

    Contemporary algebraic reconstruction methods are utilized in investigating the two-dimensional void distribution in a water analog from neutron transmission measurements. It is sought to ultimately apply these techniques to the determination of time-averaged void distribution in two-phase flow systems as well as for potential usage in neutron radiography. Initially, projection data were obtained from a digitized model of a hypothetical two-phase representation and later from neutron beam traverses across a voided methacrylate plastic model. From 10 to 15 views were incorporated, and decoupling of overlapped measurements was utilized to afford greater resolution. In general, the additive Algebraic Reconstruction Technique yielded the best reconstructions, with others showing promise for noisy data. Results indicate the need for some further development of the method in interpreting real data

  12. Drifting plasmons in open two-dimensional channels: modal analysis

    International Nuclear Information System (INIS)

    Sydoruk, O

    2013-01-01

    Understanding the properties of plasmons in two-dimensional channels is important for developing methods of terahertz generation. This paper presents a modal analysis of plasmonic reflection in open channels supporting dc currents. As it shows, the plasmons can be amplified upon reflection if a dc current flows away from a conducting boundary; de-amplification occurs for the opposite current direction. The problem is solved analytically, based on a perturbation calculation, and numerically, and agreement between the methods is demonstrated. The power radiated by a channel is found to be negligible, and plasmon reflection in open channels is shown to be similar to that in closed channels. Based on this similarity, the oscillator designs developed earlier for closed channels could be applicable also for open ones. The results develop the modal-decomposition technique further as an instrument for the design of terahertz plasmonic sources. (paper)

  13. Efficient two-dimensional compressive sensing in MIMO radar

    Science.gov (United States)

    Shahbazi, Nafiseh; Abbasfar, Aliazam; Jabbarian-Jahromi, Mohammad

    2017-12-01

    Compressive sensing (CS) has been a way to lower sampling rate leading to data reduction for processing in multiple-input multiple-output (MIMO) radar systems. In this paper, we further reduce the computational complexity of a pulse-Doppler collocated MIMO radar by introducing a two-dimensional (2D) compressive sensing. To do so, we first introduce a new 2D formulation for the compressed received signals and then we propose a new measurement matrix design for our 2D compressive sensing model that is based on minimizing the coherence of sensing matrix using gradient descent algorithm. The simulation results show that our proposed 2D measurement matrix design using gradient decent algorithm (2D-MMDGD) has much lower computational complexity compared to one-dimensional (1D) methods while having better performance in comparison with conventional methods such as Gaussian random measurement matrix.

  14. Selective growth of two-dimensional phosphorene on catalyst surface.

    Science.gov (United States)

    Qiu, L; Dong, J C; Ding, F

    2018-02-01

    Although the study of black phosphorene (BP) and its isomers has attracted enormous attention, the method of synthesizing high-quality samples in a large area is still pending. Here we explore the potential of using the chemical vapor deposition method to synthesize large-area two-dimensional (2D) phosphorene films on metal surfaces. Our ab initio calculations show that BP can be synthesized by using tin (Sn) as a catalyst, while one of its isomers, blue phosphorene (BLP), is very possible to be synthesized by using most other metals, such as Ag and Au. Besides, our study also suggests that the large binding energy between the 2D phosphorene and the active metal substrate may prohibit the exfoliation of the 2D phosphorene for real applications and, therefore, tin, silver and gold are predicted to be the most suitable catalysts for the synthesis of BP and BLP.

  15. Finite volume model for two-dimensional shallow environmental flow

    Science.gov (United States)

    Simoes, F.J.M.

    2011-01-01

    This paper presents the development of a two-dimensional, depth integrated, unsteady, free-surface model based on the shallow water equations. The development was motivated by the desire of balancing computational efficiency and accuracy by selective and conjunctive use of different numerical techniques. The base framework of the discrete model uses Godunov methods on unstructured triangular grids, but the solution technique emphasizes the use of a high-resolution Riemann solver where needed, switching to a simpler and computationally more efficient upwind finite volume technique in the smooth regions of the flow. Explicit time marching is accomplished with strong stability preserving Runge-Kutta methods, with additional acceleration techniques for steady-state computations. A simplified mass-preserving algorithm is used to deal with wet/dry fronts. Application of the model is made to several benchmark cases that show the interplay of the diverse solution techniques.

  16. Two-dimensional PIC-MCC simulation of ion extraction

    International Nuclear Information System (INIS)

    Xiong Jiagui; Wang Dewu

    2000-01-01

    To explore more simple and efficient ion extraction methods used in atomic vapor laser isotope separation (AVLIS), two-dimensional (2D) PIC-MCC simulation code is used to simulate and compare several methods: parallel electrode method, II type electrode method, improved M type electrode method, and radio frequency (RF) resonance method. The simulations show that, the RF resonance method without magnetic field is the best among others, then the improved M type electrode method. The result of simulation of II type electrode method is quite different from that calculated by 2D electron equilibrium model. The RF resonance method with or without magnetic field has guide different results. Strong resonance occurs in the simulation without magnetic field, whereas no significant resonance occurs under weak magnetic field. And that is quite different from the strong resonance phenomena occurring in the 1D PIC simulation with weak magnetic field. As for practical applications, the RF resonance method without magnetic field has pros and cons, compared with the M type electrode method

  17. Two Dimensional Electrophoresis of Galactosidase Relating to the Disappearance of Bombyx Lectin Activity

    OpenAIRE

    カトウ, ヤスオ; Yasuo, Kato

    2004-01-01

    "Two dimensional polyacrylamide gel electroporesis (2 D-PAGE) analysis on the haemolymph of Bombyx mori was performed using the Mini-PROTEAN mini tube gel two dimensional polyacrylamide gel electrophoresis system (Bio-Rad Laboratories, Inc.). The result on various electrophoretical conditions using the haemolymph-protein showed the possibility that the haemolymph-protein was separated actually by means of this method. Moreover, the result of 2 D-PAGE analysis on Fraction II obtained by gel fi...

  18. Volatilizable Biogenic Organic Compounds (VBOCs with two dimensional Gas Chromatography-Time of Flight Mass Spectrometry (GC × GC-TOFMS: sampling methods, VBOC complexity, and chromatographic retention data

    Directory of Open Access Journals (Sweden)

    C. Chen

    2012-02-01

    Full Text Available Two dimensional gas chromatography (GC × GC with detection by time-of-flight mass spectrometry (TOFMS was applied in the rapid analysis of air samples containing highly complex mixtures of volatilizable biogenic organic compounds (VBOCs. VBOC analytical methodologies are briefly reviewed, and optimal conditions are discussed for sampling with both adsorption/thermal desorption (ATD cartridges and solid-phase microextraction (SPME fibers. Air samples containing VBOC emissions from leaves of two tree species (Cedrus atlantica and Calycolpus moritzianus were obtained by both ATD and SPME. The optimized gas chromatographic conditions utilized a 45 m, 0.25 mm I.D. low-polarity primary column (DB-VRX, 1.4 μm film and a 1.5 m, 0.25 mm I.D. polar secondary column (StabilwaxTM, 0.25 μm film. Excellent separation was achieved in a 36 min temperature programmed GC × GC chromatogram. Thousands of VBOC peaks were present in the sample chromatograms; hundreds of tentative identifications by NIST mass spectral matching are provided. Very few of the tentatively identified compounds are currently available as authentic standards. Minimum detection limit values for a 5 l ATD sample were 3.5 pptv (10 ng m−3 for isoprene, methyl vinyl ketone, and methacrolein, and ~1.5 pptv (~10 ng m−3 for monoterpenes and sesquiterpenes. Kovats-type chromatographic retention index values on the primary column and relative retention time values on the secondary column are provided for 21 standard compounds and for 417 tentatively identified VBOCs. 19 of the 21 authentic standard compounds were found in one of the Cedrus atlantica SPME samples. In addition, easily quantifiable levels of at least 13 sesquiterpenes were found in an ATD sample obtained from a branch enclosure of Calycolpus moritzianus. Overall, the results obtained via GC × GC-TOFMS highlight an extreme, and largely uncharacterized diversity of VBOCs, consistent with the hypothesis that sesquiterpenes and

  19. Volatilizable Biogenic Organic Compounds (VBOCs) with two dimensional Gas Chromatography-Time of Flight Mass Spectrometry (GC × GC-TOFMS): sampling methods, VBOC complexity, and chromatographic retention data

    Science.gov (United States)

    Pankow, J. F.; Luo, W.; Melnychenko, A. N.; Barsanti, K. C.; Isabelle, L. M.; Chen, C.; Guenther, A. B.; Rosenstiel, T. N.

    2012-02-01

    Two dimensional gas chromatography (GC × GC) with detection by time-of-flight mass spectrometry (TOFMS) was applied in the rapid analysis of air samples containing highly complex mixtures of volatilizable biogenic organic compounds (VBOCs). VBOC analytical methodologies are briefly reviewed, and optimal conditions are discussed for sampling with both adsorption/thermal desorption (ATD) cartridges and solid-phase microextraction (SPME) fibers. Air samples containing VBOC emissions from leaves of two tree species (Cedrus atlantica and Calycolpus moritzianus) were obtained by both ATD and SPME. The optimized gas chromatographic conditions utilized a 45 m, 0.25 mm I.D. low-polarity primary column (DB-VRX, 1.4 μm film) and a 1.5 m, 0.25 mm I.D. polar secondary column (StabilwaxTM, 0.25 μm film). Excellent separation was achieved in a 36 min temperature programmed GC × GC chromatogram. Thousands of VBOC peaks were present in the sample chromatograms; hundreds of tentative identifications by NIST mass spectral matching are provided. Very few of the tentatively identified compounds are currently available as authentic standards. Minimum detection limit values for a 5 l ATD sample were 3.5 pptv (10 ng m-3) for isoprene, methyl vinyl ketone, and methacrolein, and ~1.5 pptv (~10 ng m-3) for monoterpenes and sesquiterpenes. Kovats-type chromatographic retention index values on the primary column and relative retention time values on the secondary column are provided for 21 standard compounds and for 417 tentatively identified VBOCs. 19 of the 21 authentic standard compounds were found in one of the Cedrus atlantica SPME samples. In addition, easily quantifiable levels of at least 13 sesquiterpenes were found in an ATD sample obtained from a branch enclosure of Calycolpus moritzianus. Overall, the results obtained via GC × GC-TOFMS highlight an extreme, and largely uncharacterized diversity of VBOCs, consistent with the hypothesis that sesquiterpenes and other compounds

  20. Two-dimensional fluorescence lifetime correlation spectroscopy. 2. Application.

    Science.gov (United States)

    Ishii, Kunihiko; Tahara, Tahei

    2013-10-03

    In the preceding article, we introduced the theoretical framework of two-dimensional fluorescence lifetime correlation spectroscopy (2D FLCS). In this article, we report the experimental implementation of 2D FLCS. In this method, two-dimensional emission-delay correlation maps are constructed from the photon data obtained with the time-correlated single photon counting (TCSPC), and then they are converted to 2D lifetime correlation maps by the inverse Laplace transform. We develop a numerical method to realize reliable transformation, employing the maximum entropy method (MEM). We apply the developed actual 2D FLCS to two real systems, a dye mixture and a DNA hairpin. For the dye mixture, we show that 2D FLCS is experimentally feasible and that it can identify different species in an inhomogeneous sample without any prior knowledge. The application to the DNA hairpin demonstrates that 2D FLCS can disclose microsecond spontaneous dynamics of biological molecules in a visually comprehensible manner, through identifying species as unique lifetime distributions. A FRET pair is attached to the both ends of the DNA hairpin, and the different structures of the DNA hairpin are distinguished as different fluorescence lifetimes in 2D FLCS. By constructing the 2D correlation maps of the fluorescence lifetime of the FRET donor, the equilibrium dynamics between the open and the closed forms of the DNA hairpin is clearly observed as the appearance of the cross peaks between the corresponding fluorescence lifetimes. This equilibrium dynamics of the DNA hairpin is clearly separated from the acceptor-missing DNA that appears as an isolated diagonal peak in the 2D maps. The present study clearly shows that newly developed 2D FLCS can disclose spontaneous structural dynamics of biological molecules with microsecond time resolution.

  1. Selected topics from recent NMR studies of organolithium compounds

    Directory of Open Access Journals (Sweden)

    Günther Harald

    1999-01-01

    Full Text Available After a short introduction to NMR spectroscopy of alkali and alkaline earth metals the review concentrates on NMR investigations of organolithium compounds. The isotopic fingerprint method, which rests on deuterium-induced isotope shifts for 6Li resonances, is introduced and exemplified with applications from the aggregation behavior of cyclopropyllithium systems and mixed aggregate formation between methyllithium and lithium salts. In the following chapter, one- and two-dimensional pulse experiments, both for homo- and for heteronuclear spin systems are discussed. Finally, the structural aspects associated with benzyllithium are outlined and the formation of polylithium systems by lithium reduction of biphenylenes is described.

  2. Characterization of ZSM-5 zeolites synthesized by amorphous seed method by 29 Si solid state NMR

    International Nuclear Information System (INIS)

    Souza, Claudia M.G. de; Lau, Yiu Lam; Menezes, Sonia Cabral de

    1993-01-01

    The main objective of this analysis was to study the structure of samples synthesised by the amorphous seed method. The implications of this process upon the synthesized material were unknown. In the synthesis it was used ethanol and amorphous seed, which were added to the final synthesis mixture. It was observed a very significant reduction in the reaction time when compared to conventional synthesis. NMR was used to study the defects in the crystal lattice. Results are presented and discussed

  3. Spin precession in inversion-asymmetric two-dimensional systems

    International Nuclear Information System (INIS)

    Liu, M.-H.; Chang, C.-R.

    2006-01-01

    We present a theoretical method to calculate the expectation value of spin in an inversion-asymmetric two-dimensional (2D) system with respect to an arbitrarily spin-polarized electron state, injected via an ideal point contact. The 2D system is confined in a [0 0 1]-grown quantum well, where both the Rashba and the Dresselhaus spin-orbit couplings are taken into account. The obtained analytical results allow more concrete description of the spatial behaviors of the spin precession caused individually by the Rashba and the Dresselhaus terms. Applying the calculation on the Datta-Das spin-FET, whose original design considers only the Rashba effect inside the channel, we investigate the possible influence due to the Dresselhaus spin-orbit coupling. Concluded solution is the choice of ±[1±10], in particular [1 1 0], as the channel direction

  4. Sample preparation guidelines for two-dimensional electrophoresis.

    Science.gov (United States)

    Posch, Anton

    2014-12-01

    Sample preparation is one of the key technologies for successful two-dimensional electrophoresis (2DE). Due to the great diversity of protein sample types and sources, no single sample preparation method works with all proteins; for any sample the optimum procedure must be determined empirically. This review is meant to provide a broad overview of the most important principles in sample preparation in order to avoid a multitude of possible pitfalls. Sample preparation protocols from the expert in the field were screened and evaluated. On the basis of these protocols and my own comprehensive practical experience important guidelines are given in this review. The presented guidelines will facilitate straightforward protocol development for researchers new to gel-based proteomics. In addition the available choices are rationalized in order to successfully prepare a protein sample for 2DE separations. The strategies described here are not limited to 2DE and can also be applied to other protein separation techniques.

  5. Measuring protein dynamics with ultrafast two-dimensional infrared spectroscopy

    International Nuclear Information System (INIS)

    Adamczyk, Katrin; Candelaresi, Marco; Hunt, Neil T; Robb, Kirsty; Hoskisson, Paul A; Tucker, Nicholas P; Gumiero, Andrea; Walsh, Martin A; Parker, Anthony W

    2012-01-01

    Recent advances in the methodology and application of ultrafast two-dimensional infrared (2D-IR) spectroscopy to biomolecular systems are reviewed. A description of the 2D-IR technique and the molecular contributions to the observed spectra are presented followed by a discussion of recent literature relating to the use of 2D-IR and associated approaches for measuring protein dynamics. In particular, these include the use of diatomic ligand groups for measuring haem protein dynamics, isotopic labelling strategies and the use of vibrational probe groups. The final section reports on the current state of the art regarding the use of 2D-IR methods to provide insights into biological reaction mechanisms. (topical review)

  6. The first principle calculation of two-dimensional Dirac materials

    Science.gov (United States)

    Lu, Jin

    2017-12-01

    As the size of integrated device becoming increasingly small, from the last century, semiconductor industry is facing the enormous challenge to break the Moore’s law. The development of calculation, communication and automatic control have emergent expectation of new materials at the aspect of semiconductor industrial technology and science. In spite of silicon device, searching the alternative material with outstanding electronic properties has always been a research point. As the discovery of graphene, the research of two-dimensional Dirac material starts to express new vitality. This essay studied the development calculation of 2D material’s mobility and introduce some detailed information of some approximation method of the first principle calculation.

  7. Two-dimensional strain gradient damage modeling: a variational approach

    Science.gov (United States)

    Placidi, Luca; Misra, Anil; Barchiesi, Emilio

    2018-06-01

    In this paper, we formulate a linear elastic second gradient isotropic two-dimensional continuum model accounting for irreversible damage. The failure is defined as the condition in which the damage parameter reaches 1, at least in one point of the domain. The quasi-static approximation is done, i.e., the kinetic energy is assumed to be negligible. In order to deal with dissipation, a damage dissipation term is considered in the deformation energy functional. The key goal of this paper is to apply a non-standard variational procedure to exploit the damage irreversibility argument. As a result, we derive not only the equilibrium equations but, notably, also the Karush-Kuhn-Tucker conditions. Finally, numerical simulations for exemplary problems are discussed as some constitutive parameters are varying, with the inclusion of a mesh-independence evidence. Element-free Galerkin method and moving least square shape functions have been employed.

  8. Two-dimensional electronic spectroscopy with birefringent wedges

    Energy Technology Data Exchange (ETDEWEB)

    Réhault, Julien; Maiuri, Margherita; Oriana, Aurelio; Cerullo, Giulio [IFN-CNR, Dipartimento di Fisica, Politecnico di Milano, Piazza Leonardo da Vinci 32, 20133 Milano (Italy)

    2014-12-15

    We present a simple experimental setup for performing two-dimensional (2D) electronic spectroscopy in the partially collinear pump-probe geometry. The setup uses a sequence of birefringent wedges to create and delay a pair of phase-locked, collinear pump pulses, with extremely high phase stability and reproducibility. Continuous delay scanning is possible without any active stabilization or position tracking, and allows to record rapidly and easily 2D spectra. The setup works over a broad spectral range from the ultraviolet to the near-IR, it is compatible with few-optical-cycle pulses and can be easily reconfigured to two-colour operation. A simple method for scattering suppression is also introduced. As a proof of principle, we present degenerate and two-color 2D spectra of the light-harvesting complex 1 of purple bacteria.

  9. Two-dimensional plasma photonic crystals in dielectric barrier discharge

    International Nuclear Information System (INIS)

    Fan Weili; Dong Lifang; Zhang Xinchun

    2010-01-01

    A series of two-dimensional plasma photonic crystals have been obtained by filaments' self-organization in atmospheric dielectric barrier discharge with two water electrodes, which undergo the transition from square to square superlattice and finally to the hexagon. The spatio-temporal behaviors of the plasma photonic crystals in nanosecond scale have been studied by optical method, which show that the plasma photonic crystal is actually an integration of different transient sublattices. The photonic band diagrams of the transverse electric (TE) mode and transverse magnetic mode for each sublattice of these plasma photonic crystals have been investigated theoretically. A wide complete band gap is formed in the hexagonal plasma photonic crystal with the TE mode. The changes of the band edge frequencies and the band gap widths in the evolvement of different structures are studied. A kind of tunable plasma photonic crystal which can be controlled both in space and time is suggested.

  10. Three-dimensional versus two-dimensional vision in laparoscopy

    DEFF Research Database (Denmark)

    Sørensen, Stine D; Savran, Mona Meral; Konge, Lars

    2016-01-01

    were cohort size and characteristics, skill trained or operation performed, instrument used, outcome measures, and conclusions. Two independent authors performed the search and data extraction. RESULTS: Three hundred and forty articles were screened for eligibility, and 31 RCTs were included...... through a two-dimensional (2D) projection on a monitor, which results in loss of depth perception. To counter this problem, 3D imaging for laparoscopy was developed. A systematic review of the literature was performed to assess the effect of 3D laparoscopy. METHODS: A systematic search of the literature...... in the review. Three trials were carried out in a clinical setting, and 28 trials used a simulated setting. Time was used as an outcome measure in all of the trials, and number of errors was used in 19 out of 31 trials. Twenty-two out of 31 trials (71 %) showed a reduction in performance time, and 12 out of 19...

  11. Statistical thermodynamics of a two-dimensional relativistic gas.

    Science.gov (United States)

    Montakhab, Afshin; Ghodrat, Malihe; Barati, Mahmood

    2009-03-01

    In this paper we study a fully relativistic model of a two-dimensional hard-disk gas. This model avoids the general problems associated with relativistic particle collisions and is therefore an ideal system to study relativistic effects in statistical thermodynamics. We study this model using molecular-dynamics simulation, concentrating on the velocity distribution functions. We obtain results for x and y components of velocity in the rest frame (Gamma) as well as the moving frame (Gamma;{'}) . Our results confirm that Jüttner distribution is the correct generalization of Maxwell-Boltzmann distribution. We obtain the same "temperature" parameter beta for both frames consistent with a recent study of a limited one-dimensional model. We also address the controversial topic of temperature transformation. We show that while local thermal equilibrium holds in the moving frame, relying on statistical methods such as distribution functions or equipartition theorem are ultimately inconclusive in deciding on a correct temperature transformation law (if any).

  12. Two-dimensional echocardiographic features of right ventricular infarction

    International Nuclear Information System (INIS)

    D'Arcy, B.; Nanda, N.C.

    1982-01-01

    Real-time, two-dimensional echocardiographic studies were performed in 10 patients with acute myocardial infarction who had clinical features suggestive of right ventricular involvement. All patients showed right ventricular wall motion abnormalities. In the four-chamber view, seven patients showed akinesis of the entire right ventricular diaphragmatic wall and three showed akinesis of segments of the diaphragmatic wall. Segmental dyskinetic areas involving the right ventricular free wall were identified in four patients. One patient showed a large right ventricular apical aneurysm. Other echocardiographic features included enlargement of the right ventricle in eight cases, paradoxical ventricular septal motion in seven cases, tricuspid incompetence in eight cases, dilation of the stomach in four cases and localized pericardial effusion in two cases. Right ventricular infarction was confirmed by radionuclide methods in seven patients, at surgery in one patient and at autopsy in two patients

  13. Two dimensional polar display of cardiac blood pool SPECT

    International Nuclear Information System (INIS)

    Honda, Norinari; Machida, Kikuo; Mamiya, Toshio; Takahashi, Taku; Takishima, Teruo; Hasegawa, Noriko; Hashimoto, Masanori; Ohno, Ken

    1989-01-01

    A new method of ECG gated cardiac blood pool SPECT to illustrate the left ventricular (LV) wall motion in a single static image, two dimensional polar display (2DPD), was described. Circumferential profiles of the difference between end diastolic and end systolic short axis images of the LV were displayed in a similar way to the bull's eye plot of 201 Tl myocardial SPECT. The diagnoses by 2DPDs agreed with those by cinematic displays of ECG gated blood pool SPECT in 74 out of 84 segments (85.5%) of abnormal motion, and 155 out of 168 segments (80.3%) of normal motion. It is concluded that 2DPD can evaluate regional wall motion by a single static image in a significant number of patients, and is also useful in comparing with the bull's eye image of 201 Tl myorcardial SPECT. (orig.)

  14. Evaporation effect on two-dimensional wicking in porous media.

    Science.gov (United States)

    Benner, Eric M; Petsev, Dimiter N

    2018-03-15

    We analyze the effect of evaporation on expanding capillary flow for losses normal to the plane of a two-dimensional porous medium using the potential flow theory formulation of the Lucas-Washburn method. Evaporation induces a finite steady state liquid flux on capillary flows into fan-shaped domains which is significantly greater than the flux into media of constant cross section. We introduce the evaporation-capillary number, a new dimensionless quantity, which governs the frontal motion when multiplied by the scaled time. This governing product divides the wicking behavior into simple regimes of capillary dominated flow and evaporative steady state, as well as the intermediate regime of evaporation influenced capillary driven motion. We also show flow dimensionality and evaporation reduce the propagation rate of the wet front relative to the Lucas-Washburn law. Copyright © 2017 Elsevier Inc. All rights reserved.

  15. Two dimensional layered materials: First-principle investigation

    Science.gov (United States)

    Tang, Youjian

    Two-dimensional layered materials have emerged as a fascinating research area due to their unique physical and chemical properties, which differ from those of their bulk counterparts. Some of these unique properties are due to carriers and transport being confined to 2 dimensions, some are due to lattice symmetry, and some arise from their large surface area, gateability, stackability, high mobility, spin transport, or optical accessibility. How to modify the electronic and magnetic properties of two-dimensional layered materials for desirable long-term applications or fundamental physics is the main focus of this thesis. We explored the methods of adsorption, intercalation, and doping as ways to modify two-dimensional layered materials, using density functional theory as the main computational methodology. Chapter 1 gives a brief review of density functional theory. Due to the difficulty of solving the many-particle Schrodinger equation, density functional theory was developed to find the ground-state properties of many-electron systems through an examination of their charge density, rather than their wavefunction. This method has great application throughout the chemical and material sciences, such as modeling nano-scale systems, analyzing electronic, mechanical, thermal, optical and magnetic properties, and predicting reaction mechanisms. Graphene and transition metal dichalcogenides are arguably the two most important two-dimensional layered materials in terms of the scope and interest of their physical properties. Thus they are the main focus of this thesis. In chapter 2, the structure and electronic properties of graphene and transition metal dichalcogenides are described. Alkali adsorption onto the surface of bulk graphite and metal intecalation into transition metal dichalcogenides -- two methods of modifying properties through the introduction of metallic atoms into layered systems -- are described in chapter 2. Chapter 3 presents a new method of tuning

  16. Absorption and scattering coefficients estimation in two-dimensional participating media using the generalized maximum entropy and Levenberg-Marquardt methods; Estimacion del coeficiente de absorcion y dispersion en medios participantes bidimensionales utilizando el metodo de maxima entropia generalizada y el metodo Levenberg-Marquardt

    Energy Technology Data Exchange (ETDEWEB)

    Berrocal T, Mariella J. [Universidade Federal, Rio de Janeiro, RJ (Brazil). Coordenacao dos Programas de Pos-graduacao de Engenharia. Programa de Engenharia Nuclear]|[Universidad Nacional de Ingenieria, Lima (Peru); Roberty, Nilson C. [Universidade Federal, Rio de Janeiro, RJ (Brazil). Coordenacao dos Programas de Pos-graduacao de Engenharia. Programa de Engenharia Nuclear; Silva Neto, Antonio J. [Universidade do Estado, Nova Friburgo, RJ (Brazil). Instituto Politecnico. Dept. de Engenharia Mecanica e Energia]|[Universidade Federal, Rio de Janeiro, RJ (Brazil). Coordenacao dos Programas de Pos-graduacao de Engenharia. Programa de Engenharia Nuclear

    2002-07-01

    The solution of inverse problems in participating media where there is emission, absorption and dispersion of the radiation possesses several applications in engineering and medicine. The objective of this work is to estimative the coefficients of absorption and dispersion in two-dimensional heterogeneous participating media, using in independent form the Generalized Maximum Entropy and Levenberg Marquardt methods. Both methods are based on the solution of the direct problem that is modeled by the Boltzmann equation in cartesian geometry. Some cases testes are presented. (author)

  17. Beginning Introductory Physics with Two-Dimensional Motion

    Science.gov (United States)

    Huggins, Elisha

    2009-01-01

    During the session on "Introductory College Physics Textbooks" at the 2007 Summer Meeting of the AAPT, there was a brief discussion about whether introductory physics should begin with one-dimensional motion or two-dimensional motion. Here we present the case that by starting with two-dimensional motion, we are able to introduce a considerable…

  18. Two-dimensional black holes and non-commutative spaces

    International Nuclear Information System (INIS)

    Sadeghi, J.

    2008-01-01

    We study the effects of non-commutative spaces on two-dimensional black hole. The event horizon of two-dimensional black hole is obtained in non-commutative space up to second order of perturbative calculations. A lower limit for the non-commutativity parameter is also obtained. The observer in that limit in contrast to commutative case see two horizon

  19. Solution of the two-dimensional spectral factorization problem

    Science.gov (United States)

    Lawton, W. M.

    1985-01-01

    An approximation theorem is proven which solves a classic problem in two-dimensional (2-D) filter theory. The theorem shows that any continuous two-dimensional spectrum can be uniformly approximated by the squared modulus of a recursively stable finite trigonometric polynomial supported on a nonsymmetric half-plane.

  20. Two-dimensional Navier-Stokes turbulence in bounded domains

    NARCIS (Netherlands)

    Clercx, H.J.H.; van Heijst, G.J.F.

    In this review we will discuss recent experimental and numerical results of quasi-two-dimensional decaying and forced Navier–Stokes turbulence in bounded domains. We will give a concise overview of developments in two-dimensional turbulence research, with emphasis on the progress made during the