Two-Dimensional NMR Lineshape Analysis
Waudby, Christopher A.; Ramos, Andres; Cabrita, Lisa D.; Christodoulou, John
2016-04-01
NMR titration experiments are a rich source of structural, mechanistic, thermodynamic and kinetic information on biomolecular interactions, which can be extracted through the quantitative analysis of resonance lineshapes. However, applications of such analyses are frequently limited by peak overlap inherent to complex biomolecular systems. Moreover, systematic errors may arise due to the analysis of two-dimensional data using theoretical frameworks developed for one-dimensional experiments. Here we introduce a more accurate and convenient method for the analysis of such data, based on the direct quantum mechanical simulation and fitting of entire two-dimensional experiments, which we implement in a new software tool, TITAN (TITration ANalysis). We expect the approach, which we demonstrate for a variety of protein-protein and protein-ligand interactions, to be particularly useful in providing information on multi-step or multi-component interactions.
Dipeptide Structural Analysis Using Two-Dimensional NMR for the Undergraduate Advanced Laboratory
Gonzalez, Elizabeth; Dolino, Drew; Schwartzenburg, Danielle; Steiger, Michelle A.
2015-01-01
A laboratory experiment was developed to introduce students in either an organic chemistry or biochemistry lab course to two-dimensional nuclear magnetic resonance (2D NMR) spectroscopy using simple biomolecules. The goal of this experiment is for students to understand and interpret the information provided by a 2D NMR spectrum. Students are…
Dipeptide Structural Analysis Using Two-Dimensional NMR for the Undergraduate Advanced Laboratory
Gonzalez, Elizabeth; Dolino, Drew; Schwartzenburg, Danielle; Steiger, Michelle A.
2015-01-01
A laboratory experiment was developed to introduce students in either an organic chemistry or biochemistry lab course to two-dimensional nuclear magnetic resonance (2D NMR) spectroscopy using simple biomolecules. The goal of this experiment is for students to understand and interpret the information provided by a 2D NMR spectrum. Students are…
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.
Gopinath, T; Kumar, Anil
2006-12-01
Hadamard spectroscopy has earlier been used to speed-up multi-dimensional NMR experiments. In this work, we speed-up the two-dimensional quantum computing scheme, by using Hadamard spectroscopy in the indirect dimension, resulting in a scheme which is faster and requires the Fourier transformation only in the direct dimension. Two and three qubit quantum gates are implemented with an extra observer qubit. We also use one-dimensional Hadamard spectroscopy for binary information storage by spatial encoding and implementation of a parallel search algorithm.
Separation of 2H MAS NMR Spectra by Two-Dimensional Spectroscopy
Kristensen, J. H.; Bildsøe, H.; Jakobsen, H. J.; Nielsen, N. C.
1999-08-01
New methods for optimum separation of 2H MAS NMR spectra are presented. The approach is based on hypercomplex spectroscopy that is useful for sign discrimination and phase separation. A new theoretical formalism is developed for the description of hypercomplex experiments. This exploits the properties of Lie algebras and hypercomplex numbers to obtain a solution to the Liouville-von Neumann equation. The solution is expressed in terms of coherence transfer functions that describe the allowed coherence transfer pathways in the system. The theoretical formalism is essential in order to understand all the features of hypercomplex experiments. The method is applied to the development of two-dimensional quadrupole-resolved 2H MAS NMR spectroscopy. The important features of this technique are discussed and two different versions are presented with widely different characteristics. An improved version of two-dimensional double-quantum 2H MAS NMR spectroscopy is developed. The conditions under which the double-quantum experiment is useful are discussed and its performance is compared with that observed for the quadrupole-resolved experiments. A general method is presented for evaluating the optimum pulse sequence parameters consistent with maximum sensitivity and resolution. This approach improves the performance of the experiments and is essential for any further development of the techniques. The effects of finite pulse width and hypercomplex data processing may lead to both intensity and phase distortions in the spectra. These effects are analyzed and general correction procedures are suggested. The techniques are applied to polycrystalline malonic-acid-2H4 for which the spinning sideband manifolds from the carboxyl and methylene deuterons are separated. The spinning sideband manifolds are simulated to determine the quadrupole parameters. The values are consistent with previous results, indicating that the techniques are both accurate and reliable.
Two-dimensional NMR exchange spectroscopy. Quantitative treatment of multisite exchanging systems
Abel, Edward W.; Coston, Timothy P. J.; Orrell, Keith G.; Šik, Vladimir; Stephenson, David
A general method for evaluating rate constants in complex exchange networks with N-sites from two-dimensional EXSY (NOESY) NMR spectra is proposed. A computer program D2DNMR capable of performing signal intensity to exchange rate calculations (and vice versa), based on a matrix formalism, is outlined. The method is illustrated by 195Pt 2D NMR studies of the A ⇌ B ⇌ C spin system arising from pyramidal sulfur inversion in platinum(IV) complexes of type [Pt XMe 3(MeSCH 2CH 2SMe)] ( X = Cl, I). Comparison with 1H NMR bandshape analyses of the same compounds shows high agreement between the rate constants and activation parameters determined by both techniques. Mechanisms of 195Pt spin-lattice relaxation are briefly discussed.
Two-dimensional NMR spectroscopy strongly enhances soil organic matter composition analysis
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
Correlating nuclear frequencies by two-dimensional ELDOR-detected NMR spectroscopy.
Kaminker, Ilia; Wilson, Tiffany D; Savelieff, Masha G; Hovav, Yonatan; Zimmermann, Herbert; Lu, Yi; Goldfarb, Daniella
2014-03-01
ELDOR (Electron Double Resonance)-detected NMR (EDNMR) is a pulse EPR experiment that is used to measure the transition frequencies of nuclear spins coupled to electron spins. These frequencies are further used to determine hyperfine and quadrupolar couplings, which are signatures of the electronic and spatial structures of paramagnetic centers. In recent years, EDNMR has been shown to be particularly useful at high fields/high frequencies, such as W-band (∼95 GHz, ∼3.5 T), for low γ quadrupolar nuclei. Although at high fields the nuclear Larmor frequencies are usually well resolved, the limited resolution of EDNMR still remains a major concern. In this work we introduce a two dimensional, triple resonance, correlation experiment based on the EDNMR pulse sequence, which we term 2D-EDNMR. This experiment allows circumventing the resolution limitation by spreading the signals in two dimensions and the observed correlations help in the assignment of the signals. First we demonstrate the utility of the 2D-EDNMR experiment on a nitroxide spin label, where we observe correlations between (14)N nuclear frequencies. Negative cross-peaks appear between lines belonging to different MS electron spin manifolds. We resolved two independent correlation patterns for nuclear frequencies arising from the EPR transitions corresponding to the (14)N mI=0 and mI=-1 nuclear spin states, which severely overlap in the one dimensional EDNMR spectrum. The observed correlations could be accounted for by considering changes in the populations of energy levels that S=1/2, I=1 spin systems undergo during the pulse sequence. In addition to these negative cross-peaks, positive cross-peaks appear as well. We present a theoretical model based on the Liouville equation and use it to calculate the time evolution of populations of the various energy levels during the 2D-EDNMR experiment and generated simulated 2D-EDMR spectra. These calculations show that the positive cross-peaks appear due to
Correlating nuclear frequencies by two-dimensional ELDOR-detected NMR spectroscopy
Kaminker, Ilia; Wilson, Tiffany D.; Savelieff, Masha G.; Hovav, Yonatan; Zimmermann, Herbert; Lu, Yi; Goldfarb, Daniella
2014-03-01
ELDOR (Electron Double Resonance)-detected NMR (EDNMR) is a pulse EPR experiment that is used to measure the transition frequencies of nuclear spins coupled to electron spins. These frequencies are further used to determine hyperfine and quadrupolar couplings, which are signatures of the electronic and spatial structures of paramagnetic centers. In recent years, EDNMR has been shown to be particularly useful at high fields/high frequencies, such as W-band (∼95 GHz, ∼3.5 T), for low γ quadrupolar nuclei. Although at high fields the nuclear Larmor frequencies are usually well resolved, the limited resolution of EDNMR still remains a major concern. In this work we introduce a two dimensional, triple resonance, correlation experiment based on the EDNMR pulse sequence, which we term 2D-EDNMR. This experiment allows circumventing the resolution limitation by spreading the signals in two dimensions and the observed correlations help in the assignment of the signals. First we demonstrate the utility of the 2D-EDNMR experiment on a nitroxide spin label, where we observe correlations between 14N nuclear frequencies. Negative cross-peaks appear between lines belonging to different MS electron spin manifolds. We resolved two independent correlation patterns for nuclear frequencies arising from the EPR transitions corresponding to the 14N mI = 0 and mI = -1 nuclear spin states, which severely overlap in the one dimensional EDNMR spectrum. The observed correlations could be accounted for by considering changes in the populations of energy levels that S = 1/2, I = 1 spin systems undergo during the pulse sequence. In addition to these negative cross-peaks, positive cross-peaks appear as well. We present a theoretical model based on the Liouville equation and use it to calculate the time evolution of populations of the various energy levels during the 2D-EDNMR experiment and generated simulated 2D-EDMR spectra. These calculations show that the positive cross-peaks appear due
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.
Profiling of carotenoids in tomato juice by one- and two-dimensional NMR.
Tiziani, Stefano; Schwartz, Steven J; Vodovotz, Yael
2006-08-09
Epidemiological data have shown a link between dietary intake of tomatoes and tomato products (rich in carotenoids) and a decreased risk of chronic diseases. The carotenoid profile in tomato products depends on tomato variety as well as the thermal conditions used in processing. The final carotenoid profile may affect the bioaccessibility and bioavailability of these biomolecules. Therefore, nondestructive, reliable methods are needed to characterize the structural and stereochemical variation of carotenoids. CDCl(3) rapid extraction was used to extract carotenoids from tomato juice as an alternative rapid procedure that minimizes solvents and time consumption prior to NMR analysis. The profile of these biomolecules was characterized by application of high-resolution multidimensional NMR techniques using a cryogenic probe. The combination of homonuclear and heteronuclear two-dimensional NMR techniques served to identify (all-E)-, (5Z)-, (9Z)-, and (13Z)-lycopene isomers and other carotenoids such as (all-E)-beta-carotene and (15Z)-phytoene dissolved in the extracted lipid mixture. The use of one-dimensional NMR enabled the rapid identification of lycopene isomers, thereby minimizing further isomerization of (all-E)-lycopene as compared to HPLC data. On the basis of the assignments accomplished, the carotenoid profile of typical tomato juice was successfully determined with minimal purification procedures.
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
Two-dimensional NMR and structure determination of salmon calcitonin in methanol
Energy Technology Data Exchange (ETDEWEB)
Meadows, R.P.; Nikonowicz, E.P.; Jones, C.R.; Gorenstein, D.G. (Purdue Univ., Lafayette, IN (USA)); Bastian, J.W.
1991-02-05
The structure of the 32-residue peptide salmon calcitonin (sCT) in 90% MeOH-10% H{sub 2}O has been investigated by two-dimensional NMR techniques and molecular modeling. Sequential assignments for nearly all of the 32 spin systems have been obtained, and results indicate that the heptaresidue loop formed by the disulfide bond between Cys-1 and Cys-7 is followed by an {alpha}-helical segment from Val-8 through Tyr-22. A region of conformational heterogeneity is observed for residues 20-25, resulting from the slow isomerism of the cis and trans forms of Pro-23. The C-terminal segment is found to exist in an extended conformation.
Wehrli, S L; Moore, K S; Roder, H; Durell, S; Zasloff, M
1993-08-01
Squalamine is a novel aminosterol recently isolated from the dogfish shark, Squalus acanthias. This water-soluble steroid exhibits potent antibacterial activity against both gram-negative and gram-positive bacteria. In addition, squalamine is fungicidal and induces osmotic lysis of protozoa. We report here the structural determination of squalamine, 3 beta-N-1-[N(3-[4-aminobutyl])-1,3 diaminopropane]-7 alpha,24 zeta-dihydroxy-5 alpha-cholestane 24-sulfate, which was deduced from the analysis of fast atom bombardment spectra and a series of two-dimensional nuclear magnetic resonance (NMR) spectra. Squalamine is a cationic steroid characterized by a condensation of an anionic bile salt intermediate with the polyamine, spermidine. This molecule is a potential host-defense agent in the shark, and provides insight into a new class of vertebrate antimicrobial molecules.
Rapid determination of fluid viscosity using low-field two-dimensional NMR.
Deng, Feng; Xiao, Lizhi; Chen, Weiliang; Liu, Huabing; Liao, Guangzhi; Wang, Mengying; Xie, Qingming
2014-10-01
The rapid prediction of fluid viscosity, especially the fluid in heavy-oil petroleum reservoirs, is of great importance for oil exploration and transportation. We suggest a new method for rapid prediction of fluid viscosity using two-dimensional (2D) NMR relaxation time distributions. DEFIR, Driven-Equilibrium Fast-Inversion Recovery, a new pulse sequence for rapid measurement of 2D relaxation times, is proposed. The 2D relation between the ratio of transverse relaxation time to longitudinal relaxation time (T1/T2) and T1 distribution of fluid are obtained by means of DEFIR with only two one-dimensional measurements. The measurement speed of DEFIR pulse sequence over 2 times as fast as that of the traditional 2D method. Using Bloembergen theory, the relation between the distributions and fluid viscosity is found. Precise method for viscosity prediction is then established. Finally, we apply this method to a down-hole NMR fluid analysis system and realized on-site and on-line prediction of viscosity for formation fluids. The results demonstrated that the new method for viscosity prediction is efficient and accurate. Copyright © 2014 Elsevier Inc. All rights reserved.
Wei, Feifei; Furihata, Kazuo; Hu, Fangyu; Miyakawa, Takuya; Tanokura, Masaru
2010-11-01
A complex mixture analysis by one- and two-dimensional nuclear magnetic resonance (NMR) spectroscopy was carried out for the first time for the identification and quantification of organic compounds in green coffee bean extract (GCBE). A combination of (1)H-(1)H DQF-COSY, (1)H-(13)C HSQC, and (1)H-(13)C CT-HMBC two-dimensional sequences was used, and 16 compounds were identified. In particular, three isomers of caffeoylquinic acid were identified in the complex mixture without any separation. In addition, GCBE components were quantified by the integration of carbon signals by use of a relaxation reagent and an inverse-gated decoupling method without a nuclear Overhauser effect. This NMR methodology provides detailed information about the kinds and amounts of GCBE components, and in our study, the chemical makeup of GCBE was clarified by the NMR results. 2010 John Wiley & Sons, Ltd.
Wei, Feifei; Furihata, Kazuo; Hu, Fangyu; Miyakawa, Takuya; Tanokura, Masaru
2011-09-14
Coffee was characterized by proton and carbon nuclear magnetic resonance (NMR) spectroscopy. To identify the coffee components, a detailed and approximately 90% signal assignment was carried out using various two-dimensional NMR spectra and a spiking method, in which authentic compounds were added to the roasted coffee bean extract (RCBE) sample. A total of 24 coffee components, including 5 polysaccharide units, 3 stereoisomers of chlorogenic acids, and 2 stereoisomers of quinic acids, were identified with the NMR spectra of RCBE. On the basis of the signal assignment, state analyses were further launched for the metal ion-citrate complexes and caffeine-chlorogenate complexes. On the basis of the signal integration, the coffee components were successfully quantified. This NMR methodology yielded detailed information on RCBE using only a single observation and provides a systemic approach for the analysis of other complex mixtures.
1H and 13C resonance designation of antimycin A1 by two-dimensional NMR spectroscopy
Abidi, S.L.; Adams, B.R.
1987-01-01
Complete 1H and 13C resonance assignments of antimycin A1 were accomplished by two-dimensional NMR techniques, viz. 1H homonuclear COSY correlation, heteronuclear 13C-1H chemical shift correlation and long-range heteronuclear 13C-1H COLOC correlation. Antimycin A1 was found to consist of two isomeric components in a 2:1 ratio based on NMR spectroscopic evidence. The structure of the major component was newly assigned as the 8-isopentanoic acid ester. The spectra of the minor component were consistent with the known structure of antimycin A1.
Numerical Experiment on Two-Dimensional Line Thermal
Institute of Scientific and Technical Information of China (English)
J.H.W.LEE; G.Q.CHEN(陈国谦)
2002-01-01
The time evolution of a two-dimensional line thermal-a turbulent flow produced by an initial element with signifi-cant buoyancy released in a large water body, is numerically studied with the two-equation k - s model for turbulenceclosure. The numerical results show that the thermal is characterized by a vortex pair flow and a kidney shaped concentra-tion structure with double peak maxima; the computed flow details and scalar mixing characteristics can be described byself-similar relations beyond a dimensionless time around 10. There are two regions in the flow field of a line thermal: amixing region where the concentration of tracer fluid is high and the flow is turbulent and rotational with a pair of vortexeyes, and an ambient region where the concentration is zero and the flow is potential and well-described by a model ofdoublet with strength very close to those given by early experimental and analytical studies. The added virtual mass coeffi-cient of the thermal motion is found to be approximately 1. The aspect ratio for the kidney-shaped sectional thermal isfound to be around 1.45 for the self-similar phase. The predicted thermal spreading and mixing rate compares well withexperimental data.
Energy Technology Data Exchange (ETDEWEB)
Benn, R.; Brenneke, H.; Frings, A.; Lehmkuhl, H.; Mehler, G.; Rufinska, A.; Wildt, T.
1988-08-17
The indirect heteronuclear two-dimensional (2D) triple-resonance (S,I)-(/sup 1/H) NMR spectroscopy is introduced for measuring the chemical shift and scalar spin-spin coupling constants of an insensitive nucleus I via its scalar coupling J(S,I) by detection of the nucleus S of higher sensitivity. The versatility of this approach is demonstrated by extracting delta(/sup 57/Fe) and J(Fe,X) from (/sup 31/P,/sup 57/Fe)-(/sup 1/H) spectra of various dissolved ((/eta//sup 5/-Cp)(L/sub 2/(R)))Fe, ((/eta//sup 3/-allyl)(/eta//sup 5/-Cp)(L))Fe, and ((/eta//sup 1/,/eta//sup 2/-alkenyl)(/eta//sup 5/-Cp)(L))Fe complexes (R = alkyl, hydride; L = PR/sub 3/). In practice the sensitivity of 2D (/sup 31/P,/sup 57/Fe) spectra was found to be higher than that of the direct observation scheme by at least a factor (..gamma../sub P//..gamma../sub Fe/)/sup 5/2/. Due to the intrinsically higher resolving power of a two-dimensional experiment, small scalar couplings like /sup 2J/(Fe,F) and /sup 1/J(Fe,H) were readily obtained from indirect two-dimensional spectra. Combinations of (/sup 1/H,/sup 57/Fe) and (/sup 31/P,/sup 57/Fe) spectra yielded the relative signs of the J(Fe,X) couplings: /sup 1/J(Fe,P) is positive and increases with increasing ..pi..-acceptor power of the phosphorus ligand L from 55 (L = PMe/sub 3/, R = H) to 149 Hz (L = PF/sub 3/). /sup 1/J(Fe,H) is around +9 Hz (R = H), whereas /sup 2/J(P,H) in these complexes was found to be negative. In all of the allyl complexes investigated, /sup 2J/(Fe,F) (L = PF/sub 3/) is positive and around 3 Hz. In the quasi-tetragonal and -trigonal iron complexes, delta(/sup 57/Fe) varies by about 4000 ppM. This can be rationalized qualitatively by the electronegativity of the atoms directly bonded to iron and the higher oxidation potential in the presence of more basic ligands L via the paramagnetic shielding term. 52 references, 5 figures, 5 tables.
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
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
Li, Shenhui; Zheng, Anmin; Su, Yongchao; Fang, Hanjun; Shen, Wanling; Yu, Zhiwu; Chen, Lei; Deng, Feng
2010-04-21
Extra-framework aluminium (EFAL) species in hydrated dealuminated HY zeolite were thoroughly investigated by various two-dimensional solid-state NMR techniques as well as density functional theoretical calculations. (27)Al MQ MAS NMR experiments demonstrated that five-coordinated and four-coordinated extra-framework aluminium subsequently disappeared with the increase of water loading, and the quadrupole interaction of each aluminium species decreased gradually during the hydration process. (1)H double quantum MAS NMR revealed that the EFAL species in the hydrated zeolite consisted of three components: a hydroxyl AlOH group, and two types of water molecule (rigid and mobile water). (1)H-(27)Al LG-CP HETCOR experiments indicated that both the extra-framework and the framework Al atoms were in close proximity to the rigid water in the fully rehydrated zeolite. The experimental results were further confirmed by DFT theoretical calculations. Moreover, theoretical calculation results further demonstrated that the EFAL species in the hydrated zeolite consisted of the three components and the calculated (1)H NMR chemical shift for each component agreed well with our NMR observations. It is the rigid water that connects the extra-framework aluminium with the four-coordinated framework aluminium through strong hydrogen bonds.
Edén, Mattias
2010-05-01
Three two-dimensional (2D) NMR homonuclear correlation techniques invoking double-quantum (2Q) filtration of the central transitions of half-integer spins are evaluated numerically and experimentally. They correlate directly detected single-quantum (1Q) coherences in the t(2) domain with either of 1Q, two-spin 2Q or single-spin multiple-quantum coherence-evolutions in the indirect (t(1)) dimension. We employ experimental (23)Na and (27)Al NMR on sodium sulfite and the natural mineral sillimanite (SiAl(2)O(5)), in conjunction with simulated 2D spectra from pairs of dipolar-recoupled spins-3/2 and 5/2 at different external magnetic fields, to compare the correlation strategies from the viewpoints of 2D spectral resolution, signal sensitivity, implementational aspects and their relative merits for establishing internuclear proximities and quadrupolar tensor orientations.
Weisz, K; Shafer, R H; Egan, W; James, T L
1992-08-25
Phase-sensitive two-dimensional nuclear Overhauser enhancement (2D NOE) and double-quantum-filtered correlated (2QF-COSY) spectra were recorded at 500 MHz for the DNA duplex d(CATTTGCATC).d(GATGCAAATG), which contains the octamer element of immunoglobulin genes. Exchangeable and nonexchangeable proton resonances including those of the H5' and H5" protons were assigned. Overall, the decamer duplex adopts a B-type DNA conformation. Scalar coupling constants for the sugar protons were determined by quantitative simulations of 2QF-COSY cross-peaks. These couplings are consistent with a two-state dynamic equilibrium between a minor N- and a major S-type conformer for all residues. The pseudorotation phase angle P of the major conformer is in the range 117-135 degrees for nonterminal pyrimidine nucleotides and 153-162 degrees for nonterminal purine nucleotides. Except for the terminal residues, the minor conformer comprises less than 25% of the population. Distance constraints obtained by a complete relaxation matrix analysis of the 2D NOE intensities with the MARDIGRAS algorithm confirm the dependence of the sugar pucker on pyrimidine and purine bases. Averaging by fast local motions has at most small effects on the NOE-derived interproton distances.
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...
Sensitivity and resolution of two-dimensional NMR diffusion-relaxation measurements
Kausik, Ravinath; Hürlimann, Martin D.
2016-09-01
The performance of 2D NMR diffusion-relaxation measurements for fluid typing applications is analyzed. In particular, we delineate the region in the diffusion - relaxation plane that can be determined with a given gradient strength and homogeneity, and compare the performance of the single and double echo encoding with the stimulated echo diffusion encoding. We show that the diffusion editing based approach is able to determine the diffusion coefficient only if the relaxation time T2 exceeds a cutoff value T2,cutoff , that scales like T2,cutoff ∝g - 2 / 3D - 1 / 3 . For stimulated echo encoding, the optimal diffusion encoding times (Td and δ), that provide the best diffusion sensitivity, rely only on the T1 /T2 ratios and not on the diffusion coefficients of the fluids or the applied gradient strengths. Irrespective of T1 , for high enough gradients (i.e. when γ2g2 DT23 >102), the Hahn echo based encoding is superior to encoding based on the stimulated echo. For weaker gradients, the stimulated echo is superior only if the T1 /T2 ratio is much larger than 1. For single component systems, the diffusion sensitivity is not adversely impacted by the uniformity of the gradients and the diffusion distributions can be well measured. The presence of non-uniform gradients can affect the determination of the diffusion distributions when you have two fluids of comparable T2 . In such situations the effective single component diffusion coefficient is always closer to the geometric mean diffusion coefficient of the two fluids.
Jeener, Jean; Alewaeters, Gerrit
2016-05-01
The review articles published in "Progress in NMR Spectroscopy" are usually invited treatments of topics of current interest, but occasionally the Editorial Board may take an initiative to publish important historical material that is not widely available. The present article represents just such a case. Jean Jeener gave a lecture in 1971 at a summer school in Basko Polje, in what was then called Yugoslavia. As is now widely known, Jean Jeener laid down the foundations in that lecture of two - and higher - dimensional NMR spectroscopy by proposing the homonuclear COSY experiment. Jeener realized that the new proposal would open the door towards protein NMR and molecular structure determinations, but he felt that useful versions of such experiments could not be achieved with the NMR, computer and electronics technology available at that time, so that copies of the lecture notes were circulated (the Basko Polje lecture notes by J. Jeener and G. Alewaeters), but no formal publication followed. Fortunately, Ernst, Freeman, Griffin, and many others were more far-sighted and optimistic. An early useful extension was Ernst's proposal to replace the original projection/reconstruction technique of MRI by the widely adopted Fourier transform method inspired by the Basko Polje lecture. Later, the pulse method spread over many fields of spectroscopy as soon as the required technology became available. Jean Jeener, Emeritus professor, Université Libre de Bruxelles. Geoffrey Bodenhausen, Ecole Normale Supérieure, Paris.
Numerical analysis of biological clogging in two-dimensional sand box experiments
DEFF Research Database (Denmark)
Kildsgaard, J.; Engesgaard, Peter Knudegaard
2001-01-01
Two-dimensional models for biological clogging and sorptive tracer transport were used to study the progress of clogging in a sand box experiment. The sand box had been inoculated with a strip of bacteria and exposed to a continuous injection of nitrate and acetate. Brilliant Blue was regularly...... with the assumed linear constant Kd behaviour. It is demonstrated that the dimensionality of sand box experiments in comparison to column experiments results in a much lower reduction in hydraulic conductivity Žfactor of 100. and that the bulk hydraulic conductivity of the sand box decreased only slightly. However...
DEFF Research Database (Denmark)
Yelle, Daniel J.; Kaparaju, Laxmi-Narasimha Prasad; Hunt, Christopher G.
2013-01-01
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 C-H NMR......-methyl-α-d-glucuronic acid of xylan. In the polysaccharide anomeric region, decreases in the minor β-d-mannopyranosyl, and α-l-arabinofuranosyl units were observed in the NMR spectra from hydrothermally pretreated wheat straw. The aromatic region indicated only minor changes to the aromatic structures during the process (e...
A further experiment on two-dimensional decaying turbulence on a rotating sphere
Energy Technology Data Exchange (ETDEWEB)
Yoden, S. [Kyoto Univ., Kyoto (Japan). Dept. of Geophysics; Ishioka, K.; Yamada, M. [Tokyo Univ., Tokyo (Japan). Graduate Schoool of Mathematical Sciences; Hayashi, Y.-Y. [Hokkaido Univ., Sapporo (Japan). Div. of Earth and Planetary Sciences
1999-12-01
A series of numerical experiments on the two-dimensional decaying turbulence is performed for a non-divergent barotropic fluid on a rotating sphere by using a high-resolution spectral model. Time variations of the energy spectrum and the flow field are highly dependent on the rotation rate. In non-rotational cases, isolated coherent vortices emerge in the course of time development as in the planar two-dimensional turbulence. As the rotation rate increases, however, the evolution of the flow field charges drastically, and a westward circumpolar vortex appears in high-latitudes as well as zonal band structures in mid- and low-latitudes. The dependence of these features on the initial energy spectrum is investigated and the dynamics of such pattern formulations is discussed.
Schoenfelder, Wiete; Gläser, Hans-Reinhard; Mitreiter, Ivonne; Stallmach, Frank
2008-06-01
Limestones and karstified limestones (dolostones) from a Permian aquifer in Central Germany were studied by 1H 2D NMR relaxometry and PFG NMR diffusometry, aiming at a non-destructive characterization of the pore space. Information concerning pore size distribution and water diffusion were in accord for different samples of each type of rock, but differed fundamentally between limestones and dolostones. The results of the 2D relaxometry measurements revealed a ratio of surface relaxation times Ts1/ Ts2 of about 2 for the limestones and about 4.5 for the dolostones, mirroring the different content of iron and manganese in the solid pore walls. In consideration of thin section interpretation, the corresponding fraction in the T1- T2 relaxation time distributions was attributed to interparticle porosity. Porosity of large vugs is clearly displayed by relaxation times longer than 1 s in the dolostones only. A third fraction of the total water-saturated pore space in the dolostones, which is clearly displayed in the 2D relaxation time distributions at the smallest relaxation times and a Ts1/ Ts2 ratio of about 12, is attributed to intrafossil porosity. The porosity classification, basing on non-destructive NMR experiments, is verified by mercury intrusion porosimetry and thin section interpretation.
Laboratory setup and results of experiments on two-dimensional multiphase flow in porous media
Energy Technology Data Exchange (ETDEWEB)
McBride, J.F. (ed.) (Pacific Northwest Lab., Richland, WA (USA)); Graham, D.N. (ed.); Schiegg, H.O. (SIMULTEC Ltd., Meilen/Zurich (Switzerland))
1990-10-01
In the event of an accidental release into earth's subsurface of an immiscible organic liquid, such as a petroleum hydrocarbon or chlorinated organic solvent, the spatial and temporal distribution of the organic liquid is of great interest when considering efforts to prevent groundwater contamination or restore contaminated groundwater. An accurate prediction of immiscible organic liquid migration requires the incorporation of relevant physical principles in models of multiphase flow in porous media; these physical principles must be determined from physical experiments. This report presents a series of such experiments performed during the 1970s at the Swiss Federal Institute of Technology (ETH) in Zurich, Switzerland. The experiments were designed to study the transient, two-dimensional displacement of three immiscible fluids in a porous medium. This experimental study appears to be the most detailed published to date. The data obtained from these experiments are suitable for the validation and test calibration of multiphase flow codes. 73 refs., 140 figs.
Energy Technology Data Exchange (ETDEWEB)
Kosasi, S.; Sluis, W.G. van der; Hart, L.A. ' t; Labadie, R.P. (Utrecht University (Netherlands). Faculty of Pharmacy, Department of Pharmacognosy); Boelens, R. (Utrecht University (Netherlands). Department of Chemistry)
1989-10-09
An immunologically active novel cyclic decapeptide, consisting of 1 Ala, 2 Gly, 1 Ile, 2 Thr, 2 Trp and 2 Val, has been isolated from the latex of Jatropha multifida L. (Euphorbiaceae). The structure was elucidated by means of amino acid analysis and FAB-mass spectroscopy. The animo acid sequence was obtained by two-dimensional {sup 1}H NMR spectroscopy (COSY and NOESY). 12 refs.; 3 figs.; 2 tabs.
Fermi liquid-to-Bose condensate crossover in a two-dimensional ultracold gas experiment
Barmashova, T. V.; Mart'yanov, K. A.; Makhalov, V. B.; Turlapov, A. V.
2016-02-01
By controling interparticle interactions, it is possible to transform a fermionic system into a bosonic system and vice versa, while preserving quantum degeneracy. Evidence of such a transformation may be found by monitoring the pressure and interference. The Fermi pressure is an indication of the fermion?ic character of a system, while the interference implies a nonzero order parameter and Bose condensation. Lowering from three to two spatial dimensions introduces new physics and makes the system more difficult to describe due to the increased fluctuations and the reduced applicability of mean field methods. An experiment with a two-dimensional ultracold atomic gas shows a crossover between the Bose and Fermi limits, as evident from the value of pressure and from the interference pattern, and provides data to test models of 2D Fermi and Bose systems, including the most-difficult-to-model strongly coupled systems.
Vibrational wave packet induced oscillations in two-dimensional electronic spectra. I. Experiments
Nemeth, Alexandra; Mancal, Tomas; Lukes, Vladimir; Hauer, Juergen; Kauffmann, Harald F; Sperling, Jaroslaw
2010-01-01
This is the first in a series of two papers investigating the effect of electron-phonon coupling in two-dimensional Fourier transformed electronic spectroscopy. We present a series of one- and two-dimensional nonlinear spectroscopic techniques for studying a dye molecule in solution. Ultrafast laser pulse excitation of an electronic transition coupled to vibrational modes induces a propagating vibrational wave packet that manifests itself in oscillating signal intensities and line-shapes. For the two-dimensional electronic spectra we can attribute the observed modulations to periodic enhancement and decrement of the relative amplitudes of rephasing and non-rephasing contributions to the total response. Different metrics of the two-dimensional signals are shown to relate to the frequency-frequency correlation function which provides the connection between experimentally accessible observations and the underlying microscopic molecular dynamics. A detailed theory of the time-dependent two-dimensional spectral li...
DNA sequencing by two-dimensional materials: As theoretical modeling meets experiments.
Liang, Lijun; Shen, Jia-Wei; Zhang, Zhisen; Wang, Qi
2017-03-15
Owing to their extraordinary electrical, chemical, optical, mechanical and structural properties, two-dimensional (2D) materials (mainly including graphene, boron nitride, MoS2 etc.) have stimulated exploding interests in sensor applications. 2D-material based nanoscale DNA sequencing is a single-molecule technique with revolutionary potential. In this paper, we review the methodology of DNA sequencing based on the measurements of ionic current, force peak, and transverse electrical currents etc. by 2D materials. The advantages and disadvantages of DNA sequencing by 2D materials are discussed. Besides the recent development of experiments, we will focus on the theoretical calculations of DNA sequencing, which have been played a critical role in the development of this field. Special emphasis will focus on the disagreements between experiments and theoretical calculations, and the explanations for the discrepancy will be highlighted. Finally, some new plausible sequencing methods from computational studies will be discussed, which may be applied in the realistic DNA sequencing experiments in future.
Large two-dimensional laboratory experiment with biodegradation of a PCE source zone
Langevoort, M.; Hassanizadeh, S.; Kleingeld, P.; Heimovaara, T.; Leijnse, T.
2008-12-01
To investigate the effects of bioremediation on DNAPL source zones, we carried out an experiment in a two-dimensional tank filled with sand. A microbial assemblage originating from a contaminated field site was used for inoculation without enrichment. Injection of 250 ml PCE into the tank yielded a residual zone of PCE with a pool at the bottom. After this injection, the tank was continuously flushed with anaerobic water containing sufficient electron donor and various nutrients. Chlorinated ethenes analysis, microbial groups counting, and the visual observation of the colored PCE show that PCE was degraded in the source zone. Bio-enhanced dissolution occurred as cDCE concentrations were measured four times the solubility limit of PCE and because the PCE solubility limit in the source zone increased. Degradation of cDCE to VC and ethene occurred when PCE concentrations were low (<0.1 mM). After one year of experiment, approximately 135 ml of chlorinated ethenes were removed from the tank. PCE left in the tank was 90 ml and was only present in the pool. keywords: 2D tank experiment, PCE-DNAPL, reductive dechlorination, source zone, bio-enhanced dissolution, mobilization.
Tucker, Lorraine; Gilbert, Fiona J; Astley, Susan M; Dibden, Amanda; Seth, Archana; Morel, Juliet; Bundred, Sara; Litherland, Janet; Klassen, Herman; Lip, Gerald; Purushothaman, Hema; Dobson, Hilary M; McClure, Linda; Skippage, Philippa; Stoner, Katherine; Kissin, Caroline; Beetles, Ursula; Lim, Yit Yoong; Hurley, Emma; Goligher, Jane; Rahim, Rumana; Gagliardi, Tanja J; Suaris, Tamara; Duffy, Stephen W
2017-05-01
Purpose To assess whether individual reader performance with digital breast tomosynthesis (DBT) and two-dimensional (2D) mammography varies with number of years of experience or volume of 2D mammograms read. Materials and Methods After written informed consent was obtained, 8869 women (age range, 29-85 years; mean age, 56 years) were recruited into the TOMMY trial (A Comparison of Tomosynthesis with Digital Mammography in the UK National Health Service Breast Screening Program), an ethically approved, multicenter, multireader, retrospective reading study, between July 2011 and March 2013. Each case was read prospectively for clinical assessment and to establish ground truth. A retrospective reading data set of 7060 cases was created and randomly allocated for independent blinded review of (a) 2D mammograms, (b) DBT images and 2D mammograms, and (c) synthetic 2D mammograms and DBT images, without access to previous examinations. Readers (19 radiologists, three advanced practitioner radiographers, and two breast clinicians) who had 3-25 (median, 10) years of experience in the U.K. National Health Service Breast Screening Program and read 5000-13 000 (median, 8000) cases per annum were included in this study. Specificity was analyzed according to reader type and years and volume of experience, and then both specificity and sensitivity were analyzed by matched inference. The median duration of experience (10 years) was used as the cutoff point for comparison of reader performance. Results Specificity improved with the addition of DBT for all readers. This was significant for all staff groups (56% vs 68% and 49% vs 67% [P readers and was significantly higher for those with less than 10 years of experience (91% vs 86%; P = .03) and those with total mammographic experience of fewer than 80 000 cases (88% vs 86%; P = .03). Conclusion The addition of DBT to conventional 2D screening mammography improved specificity for all readers, but the gain in sensitivity was greater
Yamada, K.; Ahmad, M. M.; Ogiso, Y.; Okuda, T.; Chikami, J.; Miehe, G.; Ehrenberg, H.; Fuess, H.
2004-07-01
RbSn2F5 is a two-dimensional fluoride ion conductor. It undergoes a first-order phase transition to a superionic state at 368 K. The structure of the low temperature phase has been determined from the Rietveld analysis of the X-ray powder diffraction. The dynamic properties of the fluoride ions in RbSn2F5 have been studied by impedance spectroscopy and solid state NMR. The dc ionic conductivity of this sample shows an abrupt increase at the phase transition temperature. We have obtained the hopping frequency and the concentration of the charge carriers (F- ions) at different temperatures from the analysis of the conductivity spectra using Almond-West formalism. The estimated values of the charge carriers’ concentration agree well with that determined from the structure and were found to be independent of temperature. The relatively small value of the power-law exponent, n ≈ 0.55, supports the two-dimensional property of the investigated material. Furthermore, 19F NMR with simulation has suggested the diffusive motions of the fluoride ions between different sites. In contrast, 119Sn and 87Rb NMR spectra below 250 K supported the intrinsic disordered nature due to the random distribution of the fluoride ion vacancies.
Retrieval of spectral and dynamic properties from two-dimensional infrared pump-probe experiments.
Chelli, Riccardo; Volkov, Victor V; Righini, Roberto
2008-07-15
We have developed a fitting algorithm able to extract spectral and dynamic properties of a three level oscillator from a two-dimensional infrared spectrum (2D-IR) detected in time resolved nonlinear experiments. Such properties go from the frequencies of the ground-to-first and first-to-second vibrational transitions (and hence anharmonicity) to the frequency-fluctuation correlation function. This last is represented through a general expression that allows one to approach the various strategies of modeling proposed in the literature. The model is based on the Kubo picture of stochastic fluctuations of the transition frequency as a result of perturbations by a fluctuating surrounding. To account for the line-shape broadening due to pump pulse spectral width in double-resonance measurements, we supply the fitting algorithm with the option to perform the convolution of the spectral signal with a Lorentzian function in the pump-frequency dimension. The algorithm is tested here on 2D-IR pump-probe spectra of a Gly-Ala dipeptide recorded at various pump-probe delay times. Speedup benchmarks have been performed on a small Beowulf cluster. The program is written in FORTRAN language for both serial and parallel architectures and is available free of charge to the interested reader.
Experiment and modeling of a two-dimensional piezoelectric energy harvester
Yang, Yaowen; Wu, Hao; Kiong Soh, Chee
2015-12-01
Vibration energy harvesting using piezoelectric materials has attracted much research interest in recent years. Numerous efforts have been devoted to improving the efficiency of vibration energy harvesters and broadening their bandwidths. In most reported literature, energy harvesters are designed to harvest energy from vibration source with a specific excitation direction. However, a practical environmental vibration source may include multiple components from different directions. Thus, it is an important concern to design a vibration energy harvester to be adaptive to multiple excitation directions. In this article, a piezoelectric energy harvester with frame configuration is proposed to achieve two-dimensional (2D) vibration energy harvesting. The harvester works in two fundamental modes, i.e., its vertical and horizontal vibration modes. By tuning the structural parameters, the harvester can capture vibration energy from arbitrary directions in a 2D plane. Experimental studies are carried out to prove its feasibility. A finite element model and an equivalent circuit model are built to simulate the system and validate the experiment outcomes. The study of this 2D energy harvester indicates its promising potential in practical vibration scenarios.
The Second Las Cruces Trench Experiment: Experimental Results and Two-Dimensional Flow Predictions
Hills, R. G.; Wierenga, P. J.; Hudson, D. B.; Kirkland, M. R.
1991-10-01
As part of a comprehensive field study designed to provide data to test stochastic and deterministic models of water flow and contaminant transport in the vadose zone, several trench experiments were performed in the semiarid region of southern New Mexico. The first trench experiment is discussed by Wierenga et al. (this issue). During the second trench experiment, a 1.2 m wide by 12 m long area on the north side of and parallel to a 26.4 m long by 4.8 m wide by 6m deep trench was irrigated with water containing tracers using a carefully controlled drip irrigation system. The irrigated area was heavily instrumented with tensiometers and neutron probe access tubes to monitor water movement, and with suction samplers to monitor solute transport. Water containing tritium and bromide was. applied during the first 11.5 days of the study. Thereafter, water was applied without tracers for an additional 64 days. Both water movement and tracer movement were monitored in the subsoil during infiltration and redistribution. The experimental results indicate that water and bromide moved fairly uniformly during infiltration and the bromide moved ahead of the tritium due to anion exclusion during redistribution. Comparisons between measurements and predictions made with a two-dimensional model show qualitative agreement for two of the three water content measurement planes. Model predictions of tritium and bromide transport were not as satisfactory. Measurements of both tritium and bromide show localized areas of high relative concentrations and a large downward motion of bromide relative to tritium during redistribution. While the simple deterministic model does show larger downward motions for bromide than for tritium during redistribution, it does not predict the high concentrations of solute observed during infiltration, nor can it predict the heterogeneous behavior observed for tritium during infiltration and for bromide during redistribution.
Fratila, R.M.; Gomez, M.V.; Sykora, S.; Velders, A.H.
2014-01-01
Nuclear magnetic resonance (NMR) spectroscopy is a powerful analytical technique, but its low sensitivity and highly sophisticated, costly, equipment severely constrain more widespread applications. Here we show that a non-resonant planar transceiver microcoil integrated in a microfluidic chip (dete
Shoushtari, Seyed Mohammad Hossein Jazayeri; Cartwright, Nick; Perrochet, Pierre; Nielsen, Peter
2017-01-01
This paper presents a new laboratory dataset on the moisture-pressure relationship above a dispersive groundwater wave in a two-dimensional vertical unconfined sand flume aquifer driven by simple harmonic forcing. A total of five experiments were conducted in which all experimental parameters were kept constant except for the oscillation period, which ranged from 268 s to 2449 s between tests. Moisture content and suction head sensor pairings were co-located at two locations in the unsaturated zone both approximately 0.2 m above the mean watertable elevation and respectively 0.3 m and 0.75 m from the driving head boundary. For all oscillation periods except for the shortest (T = 268s), the formation of a hysteretic moisture-pressure scanning loop was observed. Consistent with the decay of the saturated zone groundwater wave, the size of the observed moisture-pressure scanning loops decayed with increasing distance landward and the decay rate is larger for the shorter oscillation periods. At the shortest period (T = 268s), the observed moisture-pressure relationship was observed to be non-hysteretic but with a capillary capacity that differs from that of the static equilibrium wetting and drying curves. This finding is consistent with observations from existing one-dimensional vertical sand column experiments. The relative damping of the moisture content with distance landward is higher than that for the suction head consistent with the fact that transmission of pressure through a porous medium occurs more readily than mass transfer. This is further supported by the fact that observed phase lags for the unsaturated zone variables (i.e. suction head and moisture content) relative to the driving head are greater than the saturated zone variables (i.e. piezometric head). Harmonic analysis of the data reveals no observable generation of higher harmonics in either moisture or pressure despite the strongly non-linear relationship between the two. In addition, a phase lag
Kaseman, Derrick C; Hung, Ivan; Lee, Kathleen; Kovnir, Kirill; Gan, Zhehong; Aitken, Bruce; Sen, Sabyasachi
2015-02-05
The short-range structure, connectivity, and chemical order in As(x)Te(100-x) (25 ≤ x ≤ 65) glasses are studied using high-resolution two-dimensional projection magic-angle-turning (pjMAT) (125)Te nuclear magnetic resonance (NMR) spectroscopy. The (125)Te pjMAT NMR results indicate that the coordination of Te atoms obeys the 8-N coordination rule over the entire composition range. However, in strong contrast with the analogous glass-forming As-S and As-Se chalcogenides, significant violation of chemical order is observed in As-Te glasses over the entire composition range in the form of homopolar As-As (Te-Te) bonds, even in severely As (Te)-deficient glasses. The speciation of the Te coordination environments can be explained with the dissociation reaction model As2Te3 → 2As + 3Te(II), characterized by a dissociation constant that is independent of glass composition. These structural characteristics can be attributed to the high metallicity of Te and the strong energetic similarity between the Te-Te, Te-As, and As-As bonds, and they are consistent with the monotonic and often nearly linear variation of physical properties observed in telluride glasses as a function of the Te content.
Vallverdú-Queralt, Anna; Meudec, Emmanuelle; Ferreira-Lima, Nayla; Sommerer, Nicolas; Dangles, Olivier; Cheynier, Véronique; Le Guernevé, Christine
2016-05-15
In red and rosé wines, the grape anthocyanins are progressively converted to more stable pigments, including phenylpyranoanthocyanins. One-/two-dimensional NMR and UPLC-DAD-ESI-MS(n) measurements were used to monitor the synthesis of guaiacylpyranomalvidin 3-O-glucoside from malvidin 3-O-glucoside and vinylguaiacol in model solutions and identify the products formed during the reaction. The highest conversion rates (30%, determined by (1)H qNMR) were obtained with a small excess of vinylguaiacol in methanol/water (70/30) at pH 3 and 35°C. Two reaction pathways competed with the formation of guaiacylpyranomalvidin 3-O-glucoside. The first one only concerns malvidin 3-O-glucoside and consists in C-ring cleavage with formation of malvone and smaller molecular weight breakdown products. This pathway is favored at higher pH and incubation temperature. At lower pH values or in the presence of large vinylguaiacol excess, faster consumption of malvidin 3-O-glucoside resulted from the formation of more complex pyranoanthocyanins substituted by vinylguaiacol oligomers.
Basudhar, Debashree; Madrona, Yarrow; Kandel, Sylvie; Lampe, Jed N; Nishida, Clinton R; de Montellano, Paul R Ortiz
2015-04-17
Defining the conformational states of cytochrome P450 active sites is critical for the design of agents that minimize drug-drug interactions, the development of isoform-specific P450 inhibitors, and the engineering of novel oxidative catalysts. We used two-dimensional (1)H,(15)N HSQC chemical shift perturbation mapping of (15)N-labeled Phe residues and x-ray crystallography to examine the ligand-dependent conformational dynamics of CYP119. Active site Phe residues were most affected by the binding of azole inhibitors and fatty acid substrates, in agreement with active site localization of the conformational changes. This was supported by crystallography, which revealed movement of the F-G loop with various azoles. Nevertheless, the NMR chemical shift perturbations caused by azoles and substrates were distinguishable. The absence of significant chemical shift perturbations with several azoles revealed binding of ligands to an open conformation similar to that of the ligand-free state. In contrast, 4-phenylimidazole caused pronounced NMR changes involving Phe-87, Phe-144, and Phe-153 that support the closed conformation found in the crystal structure. The same closed conformation is observed by NMR and crystallography with a para-fluoro substituent on the 4-phenylimidazole, but a para-chloro or bromo substituent engendered a second closed conformation. An open conformation is thus favored in solution with many azole ligands, but para-substituted phenylimidazoles give rise to two closed conformations that depend on the size of the para-substituent. The results suggest that ligands selectively stabilize discrete cytochrome P450 conformational states.
Bush, Brett C.; Cotton, Daniel M.; Siegmund, Oswald H.; Chakrabarti, Supriya; Harris, Walter; Clarke, John
1991-01-01
We discuss a high resolution microchannel plate (MCP) imaging detector to be used in measurements of Doppler-shifted hydrogen Lyman-alpha line emission from Jupiter and the interplanetary medium. The detector is housed in a vacuum-tight stainless steel cylinder (to provide shielding from magnetic fields) with a MgF2 window. Operating at nominal voltage, the four plate configuration provides a gain of 1.2 x 10 exp 7 electrons per incident photon. The wedge-and-strip anode has two-dimensional imaging capabilities, with a resolution of 40 microns FWHM over a one centimeter diameter area. The detector has a high quantum efficiency while retaining a low background rate. A KBr photocathode is used to enhance the quantum efficiency of the bare MCPs to a value of 35 percent at Lyman-alpha.
Numerical experiment of thermal conductivity in two-dimensional Yukawa liquids
Energy Technology Data Exchange (ETDEWEB)
Shahzad, Aamir, E-mail: aamirshahzad-8@hotmail.com [Key Laboratory of Thermo-Fluid Science and Engineering, Ministry of Education (MOE), Xi' an Jiaotong University, Xi' an 710049 (China); Department of Physics, Government College University Faisalabad (GCUF), Allama Iqbal Road, Faisalabad 38000 (Pakistan); He, Mao-Gang, E-mail: mghe@mail.xjtu.edu.cn [Key Laboratory of Thermo-Fluid Science and Engineering, Ministry of Education (MOE), Xi' an Jiaotong University, Xi' an 710049 (China)
2015-12-15
A newly improved homogenous nonequilibrium molecular dynamics simulation (HNEMDS) method, proposed by the Evans, has been used to compute the thermal conductivity of two-dimensional (2D) strongly coupled complex (dusty) plasma liquids (SCCDPLs), for the first time. The effects of equilibrium external field strength along with different system sizes and plasma states (Γ, κ) on the thermal conductivity of SCCDPLs have been calculated using an enhanced HNEMDS method. A simple analytical temperature representation of Yukawa 2D thermal conductivity with appropriate normalized frequencies (plasma and Einstein) has also been calculated. The new HNEMDS algorithm shows that the present method provides more accurate results with fast convergence and small size effects over a wide range of plasma states. The presented thermal conductivity obtained from HNEMDS method is found to be in very good agreement with that obtained through the previously known numerical simulations and experimental results for 2D Yukawa liquids (SCCDPLs) and with the three-dimensional nonequilibrium molecular dynamics simulation (MDS) and equilibrium MDS calculations. It is shown that the HNEMDS algorithm is a powerful tool, making the calculations very efficient and can be used to predict the thermal conductivity in 2D Yukawa liquid systems.
Artigaud, Sébastien; Gauthier, Olivier; Pichereau, Vianney
2013-11-01
Two-dimensional electrophoresis is a crucial method in proteomics that allows the characterization of proteins' function and expression. This usually implies the identification of proteins that are differentially expressed between two contrasting conditions, for example, healthy versus diseased in human proteomics biomarker discovery and stressful conditions versus control in animal experimentation. The statistical procedures that lead to such identifications are critical steps in the 2-DE analysis workflow. They include a normalization step and a test and probability correction for multiple testing. Statistical issues caused by the high dimensionality of the data and large-scale multiple testing have been a more active topic in transcriptomics than proteomics, especially in microarray analysis. We thus propose to adapt innovative statistical tools developed for microarray analysis and incorporate them in the 2-DE analysis pipeline. In this article, we evaluate the performance of different normalization procedures, different statistical tests and false discovery rate calculation methods with both real and simulated datasets. We demonstrate that the use of statistical procedures adapted from microarrays lead to notable increase in power as well as a minimization of false-positive discovery rate. More specifically, we obtained the best results in terms of reliability and sensibility when using the 'moderate t-test' from Smyth in association with classic false discovery rate from Benjamini and Hochberg. The methods discussed are freely available in the 'prot2D' open source R-package from Bioconductor (http://www.bioconductor.org//) under the terms of the GNU General Public License (version 2 or later). sebastien.artigaud@univ-brest.fr or sebastien.artigaud@gmx.com.
Li, Xiaoming; Shen, Qirong; Zhang, Dongqing; Mei, Xinlan; Ran, Wei; Xu, Yangchun; Yu, Guanghui
2013-01-01
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) (13)C 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.
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.
Energy Technology Data Exchange (ETDEWEB)
Chae, Young Kee; Kim, Seol Hyun [Sejong Univ., Seoul (Korea, Republic of); Ellinger, James E.; Markley, John L. [Univ. of Wisconsin-Madison Madison (United States)
2013-12-15
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.
An Inversion Recovery NMR Kinetics Experiment
Williams, Travis J.; Kershaw, Allan D.; Li, Vincent; Wu, Xinping
2011-01-01
A convenient laboratory experiment is described in which NMR magnetization transfer by inversion recovery is used to measure the kinetics and thermochemistry of amide bond rotation. The experiment utilizes Varian spectrometers with the VNMRJ 2.3 software, but can be easily adapted to any NMR platform. The procedures and sample data sets in this…
Energy Technology Data Exchange (ETDEWEB)
Ong, R.L.; Yu, R.K.
1986-02-15
The 1H-NMR spectra of the oligosaccharide derived from monosialoganglioside GM1 (GM1 = beta-D-galactosyl-(1-3)-beta-D-N-acetylgalactosaminyl-(1-4)- (alpha-N-acetylneuraminyl-(2-3)-)-beta-D-galactosyl-(1-4)-b eta-D-glucosylceramide) (GM1OS) and its reduced form (GM1OS-R) have been obtained at 500 MHz in D2O. Through the combined use of one-dimensional and homonuclear two-dimensional spin-echo J-correlated (2D SECSY) spectra of GM1OS-R, the assignments for the ring protons of GM1OS are made. Data on chemical shifts and coupling constants of GM1OS including the alpha-linked neuraminic acid protons, in aqueous solution, are tabulated. Due to the very small coupling constants (less than 2 Hz) and the closeness in chemical shifts (less than 0.04 ppm) for the pair of correlated peaks in the two-dimensional spectrum, the information on the connectivities of the H5 ring protons of the neutral sugar residues is missing. Second-order coupling also blurs this information. Data are compared with those obtained for ganglioside GM1 in dimethyl sulfoxide (DMSO; the actual composition therein was 97% DMSO-d6 and 3% D2O) by T. A. W. Koerner, J. H. Prestegard, P. C. Demou, and R. K. Yu. While the heterogeneity of chemical shifts for the H5, H6a, and H6b protons diminishes in D2O, that for A-9a and A-9b remains. The latter suggests an intraneuraminic acid conformation involving the glycerol side chain unaffected by the solvent. Moreover, the chemical shifts of the III-1, III-2, and A-4 protons (and perhaps the II-4, IV-2, and A-8 protons) in D2O exhibit unusual upfield shifts compared with those in DMSO. This indicates that the intramolecular interactions between GalNAc residue III and neuraminic acid present in DMSO are weakened in D2O. The effect of temperature on the conformation is also examined and appears to be minimal (less than 0.02 ppm) in the range 22-50 degrees C.
Harting, Benjamin; Slenzka, Klaus
2012-07-01
To investigate the influence of microgravity environments on photosynthetic organisms we designed a 2 dimensional clinostatexperiment for a suspended cell culture of Chlamydomonas reinhardtii. A novel approach of online measurments concerning relevant parameters important for the clasification of photosynthesis was obtained. To adress the photosynthesis rate we installed and validated an optical mesurement system to monitor the evolution and consumption of dissolved oxygen. Simultaneously a PAM sensor to analyse the flourescence quantum yield of the photochemical reaction was integarted. Thus it was possible to directly classify important parameters of the phototrophic metabolism during clinorotation. The experiment design including well suited light conditions and further biochemical analysis were directly performed for microalgal cell cultures. Changes in the photosynthetic efficiancy of phototrophic cyanobacteria has been observed during parabolic flight campaign but the cause is already not understood. Explenations could be the dependency of gravitaxis by intracellular ionconcentartion or the existance of mechanosensitive ionchannels for example associated in chloroplasts of Chlamydomonas reinhardtii. The purpuse of the microalgal clinostat are studies in a qasi microgravity environment for the process design of future bioregenerative life suport systems in spaceflight missions. First results has indicated the need for special nourishment of the cell culture during microgravity experiments. Further data will be presented during the assembly.
Two-Dimensional Numerical Evaluation of 1-D Multi-FM SSD Experiments on OMEGA EP
Shvydky, A.; Hohenberger, M.; Marozas, J. A.; Bonino, M. J.; Canning, D.; Collins, T. J. B.; Kessler, T. J.; Kruschwitz, B. E.; McKenty, P. W.; Meyerhofer, D. D.; Sangster, T. C.; Zuegel, J. D.
2013-10-01
Adequate single-beam smoothing is crucial for successful direct-drive target implosions. One-dimensional, multi-FM smoothing by spectral dispersion (SSD) has been proposed to provide the required level of smoothing. A prototype multi-FM SSD system has been integrated into one beamline of the OMEGA EP Laser System and has been used in laser-driven planar-foil experiments to study the effectiveness of multi-FM SSD in reducing laser imprint. Recent experiments have achieved significantly improved signal-to-noise by employing a newly-qualified soft x-ray imaging diagnostic. Results of 2-D DRACO simulations will be compared with the available experimental data. The simulations include realistic time-dependent far-field spot intensity calculations that emulate the effect of the SSD and have a sufficiently fine computational mesh to resolve speckles. This material is based upon work supported by the Department of Energy National Nuclear Security Administration under Award Number DE-NA0001944.
Two-dimensional structure of mountain wave observed by aircraft during the PYREX experiment
Directory of Open Access Journals (Sweden)
J. L. Attié
Full Text Available This study presents an experimental analysis from aircraft measurements above the Pyrenees chain during the PYREX experiment. The Pyrenees chain, roughly WE oriented, is a major barrier for northerly and southerly airflows. We present a case of southerly flow (15 October 1990 and three successive cases of northerly flows above the Pyrenees (14, 15 and 16 November 1990 documented by two aircraft. The aircraft have described a vertical cross section perpendicular to the Pyrenean ridge. This area is described via the thermodynamical and dynamical fields which have a horizontal resolution of 10 km. Three methods for computing the vertical velocity of the air are presented. The horizontal advection terms which play a role in the budget equations are also evaluated. The altitude turbulence zone of 15 October are shown via turbulent fluxes, turbulent kinetic energy (TKE, dissipation rate of TKE and inertial length-scale. A comparison of results obtained by eddy-correlation and inertial-dissipation method is presented. The experimental results show a warm and dry downdraft for the southerly flow with large values for advection terms. All the mountain wave cases are also shown to present an important dynamical perturbation just above the Pyrenees at upper altitudes.
Energy Technology Data Exchange (ETDEWEB)
Schmidt-Rohr, K.; Fritzsching, K. J.; Liao, S. Y.; Hong Mei, E-mail: mhong@iastate.edu [Iowa State University, Department of Chemistry and Ames Laboratory (United States)
2012-12-15
Several techniques for spectral editing of 2D {sup 13}C-{sup 13}C correlation NMR of proteins are introduced. They greatly reduce the spectral overlap for five common amino acid types, thus simplifying spectral assignment and conformational analysis. The carboxyl (COO) signals of glutamate and aspartate are selected by suppressing the overlapping amide N-CO peaks through {sup 13}C-{sup 15}N dipolar dephasing. The sidechain methine (CH) signals of valine, lecuine, and isoleucine are separated from the overlapping methylene (CH{sub 2}) signals of long-chain amino acids using a multiple-quantum dipolar transfer technique. Both the COO and CH selection methods take advantage of improved dipolar dephasing by asymmetric rotational-echo double resonance (REDOR), where every other {pi}-pulse is shifted from the center of a rotor period t{sub r} by about 0.15 t{sub r}. This asymmetry produces a deeper minimum in the REDOR dephasing curve and enables complete suppression of the undesired signals of immobile segments. Residual signals of mobile sidechains are positively identified by dynamics editing using recoupled {sup 13}C-{sup 1}H dipolar dephasing. In all three experiments, the signals of carbons within a three-bond distance from the selected carbons are detected in the second spectral dimension via {sup 13}C spin exchange. The efficiencies of these spectral editing techniques range from 60 % for the COO and dynamic selection experiments to 25 % for the CH selection experiment, and are demonstrated on well-characterized model proteins GB1 and ubiquitin.
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...
Energy Technology Data Exchange (ETDEWEB)
Davidson, J.W.; Dudziak, D.J.; Pelloni, S.; Stepanek, J.
1988-01-01
In a recent common Los Alamos/PSI effort, a sensitivity and nuclear data uncertainty path for the modular code system AARE (Advanced Analysis for Reactor Engineering) was developed. This path includes the cross-section code TRAMIX, the one-dimensional finite difference S/sub N/-transport code ONEDANT, the two-dimensional finite element S/sub N/-transport code TRISM, and the one- and two-dimensional sensitivity and nuclear data uncertainty code SENSIBL. Within the framework of the present work a complete set of forward and adjoint two-dimensional TRISM calculations were performed both for the bare, as well as for the Pb- and Be-preceeded, LBM using MATXS8 libraries. Then a two-dimensional sensitivity and uncertainty analysis for all cases was performed. The goal of this analysis was the determination of the uncertainties of a calculated tritium production per source neutron from lithium along the central Li/sub 2/O rod in the LBM. Considered were the contributions from /sup 1/H, /sup 6/Li, /sup 7/Li, /sup 9/Be, /sup nat/C, /sup 14/N, /sup 16/O, /sup 23/Na, /sup 27/Al, /sup nat/Si, /sup nat/Cr, /sup nat/Fe, /sup nat/Ni, and /sup nat/Pb. 22 refs., 1 fig., 3 tabs.
Aumelas, A; Chiche, L; Kubo, S; Chino, N; Tamaoki, H; Kobayashi, Y
1995-04-11
Addition of the Lys(-2)-Arg(-1) dipeptide, present in the precursor protein, to the N-terminus of endothelin-1 (ET-1), to form a 23-residue peptide (KR-ET-1) has been shown to greatly improve formation of native disulfide bridges and to dramatically decrease biological activity. Conformational analysis was carried out on this peptide. During protonation of the carboxyl groups, CD spectra showed a decrease in the helical contribution, and NMR spectra displayed strong chemical shift modifications, suggesting the importance of electrostatic interactions in the KR-ET-1 conformation. CD spectra and two-dimensional NMR experiments were performed to investigate the KR-ET-1 three-dimensional structure in water in the carboxylic acid and carboxylate states. Distance and angle constraints were used as input for distance geometry calculations. The KR-ET-1 carboxylic acid conformation was found to be very similar to ET-1, with a helix spanning residues 9-15 and an unconstrained C-terminal part. In contrast, in the carboxylate state, large changes in Arg(-1) and Phe14 chemical shifts and long-range NOEs were consistent with a conformation characterized by a helix extension to Leu17 and a stabilized C-terminal section folded back toward the N-terminus. In addition, thanks to NOEs with Cys11 and Phe14, the Arg(-1) side chain appeared well-defined. Simulated annealing and molecular dynamics calculations, supported an Arg(-1)-Glu10 salt bridge and an electrostatic network involving the charged groups of Trp21, Asp18, and Lys(-2). Moreover, stabilization of the KR-ET-1 C-terminal part is probably reinforced by hydrophobic interactions involving the Val12, Tyr13, Phe14, Leu17, Ile19, Ile20, and Trp21 side chains. In vitro, native disulfide bond formation improvement observed for KR-ET-1 could be ascribed to electrostatic interactions and more specifically to the Arg(-1)-Glu10 salt bridge. In vivo, similar interactions could play an important role in the native folding of the ET-1
Olson, L. E.; Dvorak, F. A.
1976-01-01
The viscous subsonic flow past two-dimensional and infinite-span swept multi-component airfoils is studied theoretically and experimentally. The computerized analysis is based on iteratively coupled boundary-layer and potential-flow analysis. The method, which is restricted to flows with only slight separation, gives surface pressure distribution, chordwise and spanwise boundary-layer characteristics, lift, drag, and pitching moment for airfoil configurations with up to four elements. Merging confluent boundary layers are treated. Theoretical predictions are compared with an exact theoretical potential flow solution and with experimental measures made in the Ames 40- by 80-Foot Wind Tunnel for both two-dimensional and infinite-span swept wing configurations. Section lift characteristics are accurately predicted for zero and moderate sweep angles where flow separation effects are negligible.
Olson, L. E.; Dvorak, F. A.
1975-01-01
The viscous subsonic flow past two-dimensional and infinite-span swept multi-component airfoils is studied theoretically and experimentally. The computerized analysis is based on iteratively coupled boundary layer and potential flow analysis. The method, which is restricted to flows with only slight separation, gives surface pressure distribution, chordwise and spanwise boundary layer characteristics, lift, drag, and pitching moment for airfoil configurations with up to four elements. Merging confluent boundary layers are treated. Theoretical predictions are compared with an exact theoretical potential flow solution and with experimental measures made in the Ames 40- by 80-Foot Wind Tunnel for both two-dimensional and infinite-span swept wing configurations. Section lift characteristics are accurately predicted for zero and moderate sweep angles where flow separation effects are negligible.
Institute of Scientific and Technical Information of China (English)
张许; 刘买利
1999-01-01
It has been a continuous interest in measurement of homonuclear scalar coupling constants using two-dimensional NMR spectroscopy because large chemical shift dispersions can efficiently increase spectral resolution. Numerous methods have been developed using homo- and hetero-nuclear correlation and successfully used for a variety of samples. Here we demonstrate an alternative approach based on maximum-quantum correlation NMR spectroscopy (MAXY NMR). The new method combines the advantages of two-dimensional chemical shift dispersion and the spectral editing feature of the MAXY approach and results in separated correlations of CH, CH2, and CH3 groups in a single experiment with enhanced chemical shift resolution. The method had been tested on a middle-sized molecule, dexamethasone, and a tridecapeptide, neurotensin.%偶合常数是一个重要的NMR参数,其数值与分子中化学键的二面角有关,可以为分子结构研究提供很重要的信息.多维NMR谱由于具有较大的化学位移分辨率,因此常常被用来测定同核或异核自旋-自旋偶合常数.本文介绍了利用最高量子相关技术(MAXY)测定同核偶合常数的方法.MAXY是最近发展的一种多维NMR谱编辑技术,可以使不同官能团(CH, CH2, CH3)的相关峰分布于不同的图谱区域,因此比常规的二维谱具有更高的化学位移分辨率.而且被分离开来的NMR相关峰呈吸收性线型,能清楚地展示各自的偶合分裂特征,可以直接用于测定偶合常数.
Mesoscopic quantum interference experiments in InGaAs and GaAs two-dimensional systems
Ren, Shaola
The study of quantum interference in solid-state systems yields insight in fundamental properties of mesoscopic systems. Electron quantum interference constitutes an important method to explore mesoscopic physics and quantum decoherence. This dissertation focuses on two-dimensional (2D) electron systems in delta-Si doped n-type In0:64Ga0:36As/In 0:45Al0:55As, 2D hole systems in Si-doped p-type GaAs/Al 0:35Ga0:65As and C-doped p-type GaAs/Al0:24Ga 0:76As heterostructures. The low temperature experiments study the magnetotransport of nano- and micro-scale lithographically defined devices fabricated on the heterostructures. These devices include a single ring interferometer and a ring interferometer array in 2D electron system, Hall bar geometries and narrow wires in 2D hole systems. The single ring interferometer yields pronounced Aharonov-Bohm (AB) oscillations with magnetic flux periodicity of h/e over a wide range of magnetic field. The periodicity was confirmed by Fourier transformation of the oscillations. The AB oscillation amplitude shows a quasi-periodic modulation over applied magnetic field due to local magnetic flux threading through the interferometer arms. Further study of current and temperature dependence of the amplitude of the oscillations indicates that the Thouless energy forms the measure of excitation energies giving quantum decoherence. An in-plane magnetic field was applied to the single ring interferometer to study the Berry's phase and the Aharonov-Casher effect. The ring interferometer array yields both AB oscillations and Altshuler-Aronov-Spivak (AAS) oscillations, the latter with magnetic flux periodicity of h/2e. The AAS oscillations require time-reversal symmetry and hence can be used to qualify time-reversal symmetry breaking. More importantly, the fundamental mesoscopic dephasing length associated with time-reversal symmetry breaking under applied magnetic field, an effective magnetic length, can be obtained by the analysis of the AAS
Energy Technology Data Exchange (ETDEWEB)
Sudasinghe, Nilusha [New Mexico State Univ., Las Cruces, NM (United States); Cort, John R. [Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Hallen, Richard [Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Olarte, Mariefel [Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Schmidt, Andrew [Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Schaub, Tanner [New Mexico State Univ., Las Cruces, NM (United States)
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.
Two-dimensional liquid chromatography
DEFF Research Database (Denmark)
Græsbøll, Rune
of this thesis is on online comprehensive two-dimensional liquid chromatography (online LC×LC) with reverse phase in both dimensions (online RP×RP). Since online RP×RP has not been attempted before within this research group, a significant part of this thesis consists of knowledge and experience gained...
Energy Technology Data Exchange (ETDEWEB)
Wang, Ping; Zhou, Ye, E-mail: yezhou@llnl.gov; MacLaren, Stephan A.; Huntington, Channing M.; Raman, Kumar S. [Lawrence Livermore National Laboratory, Livermore, California 94550 (United States); Doss, Forrest W.; Flippo, Kirk A. [Los Alamos National Laboratory, Los Alamos, New Mexico 87545 (United States)
2015-11-15
Three- and two-dimensional numerical studies have been carried out to simulate recent counter-propagating shear flow experiments on the National Ignition Facility. A multi-physics three-dimensional, time-dependent radiation hydrodynamics simulation code is used. Using a Reynolds Averaging Navier-Stokes model, we show that the evolution of the mixing layer width obtained from the simulations agrees well with that measured from the experiments. A sensitivity study is conducted to illustrate a 3D geometrical effect that could confuse the measurement at late times, if the energy drives from the two ends of the shock tube are asymmetric. Implications for future experiments are discussed.
Energy Technology Data Exchange (ETDEWEB)
Yamasaki, Ryohei; Nasholds, W.; Griffiss, J.M. (Univ. of California, San Francisco (United States) Veterans Administration Medical Center, San Francisco, CA (United States)); Bacon, B.E. (Veterans Administration Medical Center, San Francisco (United States)); Schneider, H. (Walter Reed Research Inst., Washington, DC (United States))
1991-10-29
F62 LOS of Neisseria gonorrhoeae consists of two major LOS components; the higher and smaller molecular weight (MW) components were recognized by MAbs 1-1-M and 3F11 respectively. Base-line separation of the two major oligosaccharide (OS) components from F62 LOS was achieved by Bio-Gel P-4 chromatography after dephosphorylation of the OS mixture. The structures of the two major OSs were studied by chemical, enzymatic, and 2D NMR methods as well as methylation followed by GC/MS analysis. The OS component derived from the MAb 1-1-M defined LOS component was determined to have a V{sup 3}-({beta}-N-acetylgalactosaminyl)neolactotetraose structure at one of its nonreducing termini. The OS component derived from the MAb 3F11 defined LOS component did not have a GalNAc residue. The rest of its structure was identical to that of the OS-1, and a neolactotetraose is exposed at its nonreducing terminus.
Optimization and practical implementation of ultrafast 2D NMR experiments
Queiroz Júnior,Luiz H. K.; Antonio G. Ferreira; Patrick Giraudeau
2013-01-01
Ultrafast 2D NMR is a powerful methodology that allows recording of a 2D NMR spectrum in a fraction of second. However, due to the numerous non-conventional parameters involved in this methodology its implementation is no trivial task. Here, an optimized experimental protocol is carefully described to ensure efficient implementation of ultrafast NMR. The ultrafast spectra resulting from this implementation are presented based on the example of two widely used 2D NMR experiments, COSY and HSQC...
Markovic, Rade; Baranac, Marija; Jovanovic, Vesna; Dzambaski, Zdravko
2004-01-01
The experiment describes the regioselective synthesis of a stereodefined push-pull alkene from inexpensive chemicals. Important concepts in organic chemistry, such as resonance theory and role of solvent polarity on formation of intra- and intermolecular hydrogen bonds, which affect the configuration of the double bond in predictable way are…
Markovic, Rade; Baranac, Marija; Jovanovic, Vesna; Dzambaski, Zdravko
2004-01-01
The experiment describes the regioselective synthesis of a stereodefined push-pull alkene from inexpensive chemicals. Important concepts in organic chemistry, such as resonance theory and role of solvent polarity on formation of intra- and intermolecular hydrogen bonds, which affect the configuration of the double bond in predictable way are…
Wang, Ping; Raman, Kumar; MacLaren, Stephan; Huntington, Channing; Nagel, Sabrina
2016-10-01
We present simulations of recent high-energy-density (HED) re-shock experiments on the National Ignition Facility (NIF). The experiments study the Rayleigh-Taylor (RT) and Richtmyer-Meshkov (RM) instability growth that occurs after successive shocks transit a sinusoidally-perturbed interface between materials of different densities. The shock tube is driven at one or both ends using indirect-drive laser cavities or hohlraums. X-ray area-backlit imaging is used to visualize the growth at different times. Our simulations are done with the three-dimensional, radiation hydrodynamics code ARES, developed at LLNL. We show the instabilitygrowth rate, inferred from the experimental radiographs, agrees well with our 2D and 3D simulations. We also discuss some 3D geometrical effects, suggested by our simulations, which could deteriorate the images at late times, unless properly accounted for in the experiment design. Work supported by U.S. Department of Energy under Contract DE- AC52-06NA27279. LLNL-ABS-680789.
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
Juday, Richard D. (Inventor)
1992-01-01
A two-dimensional vernier scale is disclosed utilizing a cartesian grid on one plate member with a polar grid on an overlying transparent plate member. The polar grid has multiple concentric circles at a fractional spacing of the spacing of the cartesian grid lines. By locating the center of the polar grid on a location on the cartesian grid, interpolation can be made of both the X and Y fractional relationship to the cartesian grid by noting which circles coincide with a cartesian grid line for the X and Y direction.
Two-dimensional nuclear magnetic resonance of quadrupolar systems
Energy Technology Data Exchange (ETDEWEB)
Wang, Shuanhu
1997-09-17
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.
Graphical programming for pulse automated NMR experiments
Energy Technology Data Exchange (ETDEWEB)
Belmonte, S.B. [Universidade do Estado, Rio de Janeiro, RJ (Brazil); Oliveira, I.S.; Guimaraes, A.P. [Centro Brasileiro de Pesquisas Fisicas (CBPF), Rio de Janeiro, RJ (Brazil)
1999-01-01
We describe a software program designed to control a broadband pulse Nuclear Magnetic Resonance (NMR) spectrometer used in zero-field NMR studies of magnetic metals. The software is written in the graphical language LabVIEW. This type of programming allows modifications and the inclusion of new routines to be easily made by the non-specialist, without changing the basic structure of the program. The program corrects for differences in the gain of the two acquisition channels [U (phase) and V (quadrature)], and automatic baseline subtraction. We present examples of measurements of NMR spectra, spin-echo decay (T{sub 2}), and quadrupolar oscillations, performed in magnetic intermetallic compounds. (author)
Assigning the NMR Spectrum of Glycidol: An Advanced Organic Chemistry Exercise
Helms, Eric; Arpaia, Nicholas; Widener, Melissa
2007-01-01
Various one- and two-dimensional NMR experiments have been found to be extremely useful for assigning the proton and carbon NMR spectra of glycidol. The technique provides extremely valuable information aiding in the complete assignment of the peaks.
Optimization and practical implementation of ultrafast 2D NMR experiments
Directory of Open Access Journals (Sweden)
Luiz H. K. Queiroz Júnior
2013-01-01
Full Text Available Ultrafast 2D NMR is a powerful methodology that allows recording of a 2D NMR spectrum in a fraction of second. However, due to the numerous non-conventional parameters involved in this methodology its implementation is no trivial task. Here, an optimized experimental protocol is carefully described to ensure efficient implementation of ultrafast NMR. The ultrafast spectra resulting from this implementation are presented based on the example of two widely used 2D NMR experiments, COSY and HSQC, obtained in 0.2 s and 41 s, respectively.
Optimization and practical implementation of ultrafast 2D NMR experiments
Energy Technology Data Exchange (ETDEWEB)
Queiroz Junior, Luiz H. K., E-mail: professorkeng@gmail.com [Universidade Federal de Sao Carlos (UFSC), SP (Brazil). Departamento de Quimica; Universidade Federal de Goias (UFGO), Goiania, GO (Brazil). Inst. de Quimica; Ferreira, Antonio G. [Universidade Federal de Sao Carlos (UFSC), SP (Brazil). Departamento de Quimica; Giraudeau, Patrick [Universite de Nantes (France). CNRS, Chimie et Interdisciplinarite: Synthese, Analyse, Modelisation
2013-09-01
Ultrafast 2D NMR is a powerful methodology that allows recording of a 2D NMR spectrum in a fraction of second. However, due to the numerous non-conventional parameters involved in this methodology its implementation is no trivial task. Here, an optimized experimental protocol is carefully described to ensure efficient implementation of ultrafast NMR. The ultrafast spectra resulting from this implementation are presented based on the example of two widely used 2D NMR experiments, COSY and HSQC, obtained in 0.2 s and 41 s, respectively. (author)
Nolvachai, Yada; Kulsing, Chadin; Marriott, Philip J
2016-02-16
The selection of the best column sets is one of the most tedious processes in comprehensive two-dimensional gas chromatography (GC × GC) where a multitude of choices of column sets could be employed for an individual sample analysis. We demonstrate analyte/stationary phase dependent selection approaches based on the linear solvation energy relationship (LSER), which is a reliable concept for the study of interaction mechanisms and retention prediction with a large database pool of columns and compounds. Good correlations between our predicted results, with experimental results reported in the literature, were obtained. The developed approaches were applied to the simulation of 157 920 individual experiments in GC × GC, focusing on the application of 30 nonionic liquid and 111 ionic liquid (IL) stationary phases for separation of some example sets of model compounds present in practical samples. The best column sets for each sample separation could then be extracted according to maximizing orthogonality, which estimates the quality of separation.
Energy Technology Data Exchange (ETDEWEB)
Tahir, N.A., E-mail: n.tahir@gsi.de [GSI Helmholzzentrum fuer Schwerionenforschung, 64291 Darmstadt (Germany); Kim, V. [Institute of Problems of Chemical Physics, Chernogolovka (Russian Federation); Lamour, E. [Institut des NanoSciences de Paris, UPMC-Sorbonne Universite, CNRS-UMR 7588, 75252 Paris (France); Lomonosov, I.V. [Institute of Problems of Chemical Physics, Chernogolovka (Russian Federation); Piriz, A.R. [ETSI Industriales, Universidad de Castilla-La Mancha, 13071 Ciudad Real (Spain); Rozet, J.P. [Institut des NanoSciences de Paris, UPMC-Sorbonne Universite, CNRS-UMR 7588, 75252 Paris (France); Stoehlker, Th. [GSI Helmholzzentrum fuer Schwerionenforschung, 64291 Darmstadt (Germany); Helmholz-Institut Jena, 07743 Jena (Germany); Sultanov, V. [Institute of Problems of Chemical Physics, Chernogolovka (Russian Federation); Vernhet, D. [Institut des NanoSciences de Paris, UPMC-Sorbonne Universite, CNRS-UMR 7588, 75252 Paris (France)
2012-11-01
In this paper we report on two-dimensional numerical simulations of heating of a rotating, wheel shaped target impacted by the full intensity of the ion beam that will be delivered by the SPIRAL2 facility at Caen, France. The purpose of this work is to study heating of solid targets that will be used to strip the fast ions of SPIRAL2 to the required high charge state for the FISIC (Fast Ion-Slow Ion Collision) experiments. Strippers of aluminum with different emissivities and of carbon are exposed to high beam current of different ion species as oxygen, neon and argon. These studies show that carbon, due to its much higher sublimation temperature and much higher emissivity, is more favorable compared to aluminum. For the highest beam intensities, an aluminum stripper does not survive. However, problem of the induced thermal stresses and long term material fatigue needs to be investigated before a final conclusion can be drawn.
Two-dimensional optical spectroscopy
Cho, Minhaeng
2009-01-01
Discusses the principles and applications of two-dimensional vibrational and optical spectroscopy techniques. This book provides an account of basic theory required for an understanding of two-dimensional vibrational and electronic spectroscopy.
Benchmarking NMR experiments: a relational database of protein pulse sequences.
Senthamarai, Russell R P; Kuprov, Ilya; Pervushin, Konstantin
2010-03-01
Systematic benchmarking of multi-dimensional protein NMR experiments is a critical prerequisite for optimal allocation of NMR resources for structural analysis of challenging proteins, e.g. large proteins with limited solubility or proteins prone to aggregation. We propose a set of benchmarking parameters for essential protein NMR experiments organized into a lightweight (single XML file) relational database (RDB), which includes all the necessary auxiliaries (waveforms, decoupling sequences, calibration tables, setup algorithms and an RDB management system). The database is interfaced to the Spinach library (http://spindynamics.org), which enables accurate simulation and benchmarking of NMR experiments on large spin systems. A key feature is the ability to use a single user-specified spin system to simulate the majority of deposited solution state NMR experiments, thus providing the (hitherto unavailable) unified framework for pulse sequence evaluation. This development enables predicting relative sensitivity of deposited implementations of NMR experiments, thus providing a basis for comparison, optimization and, eventually, automation of NMR analysis. The benchmarking is demonstrated with two proteins, of 170 amino acids I domain of alphaXbeta2 Integrin and 440 amino acids NS3 helicase.
Indian Academy of Sciences (India)
Shivanand M Pudakalakatti; Abhinav Dubey; Hanudatta S Atreya
2015-06-01
NMR-based approach to metabolomics typically involves the collection of two-dimensional (2D) heteronuclear correlation spectra for identification and assignment of metabolites. In case of spectral overlap, a 3D spectrum becomes necessary, which is hampered by slow data acquisition for achieving sufficient resolution. We describe here a method to simultaneously acquire three spectra (one 3D and two 2D) in a single data set, which is based on a combination of different fast data acquisition techniques such as G-matrix Fourier transform (GFT) NMR spectroscopy, parallel data acquisition and non-uniform sampling. The following spectra are acquired simultaneously: (1) 13C multiplicity edited GFT (3,2)D HSQC-TOCSY, (2) 2D [1H-1H] TOCSY and (3) 2D [13C-1H] HETCOR. The spectra are obtained at high resolution and provide high-dimensional spectral information for resolving ambiguities. While the GFT spectrum has been shown previously to provide good resolution, the editing of spin systems based on their CH multiplicities further resolves the ambiguities for resonance assignments. The experiment is demonstrated on a mixture of 21 metabolites commonly observed in metabolomics. The spectra were acquired at natural abundance of 13C. This is the first application of a combination of three fast NMR methods for small molecules and opens up new avenues for high-throughput approaches for NMR-based metabolomics.
NMR data-driven structure determination using NMR-I-TASSER in the CASD-NMR experiment
Energy Technology Data Exchange (ETDEWEB)
Jang, Richard [Huazhong University of Science and Technology, School of Software Engineering (China); Wang, Yan [Huazhong University of Science and Technology, School of Life Science and Technology (China); Xue, Zhidong, E-mail: zdxue@hust.edu.cn [Huazhong University of Science and Technology, School of Software Engineering (China); Zhang, Yang, E-mail: zhng@umich.edu [University of Michigan, Department of Computational Medicine and Bioinformatics (United States)
2015-08-15
NMR-I-TASSER, an adaption of the I-TASSER algorithm combining NMR data for protein structure determination, recently joined the second round of the CASD-NMR experiment. Unlike many molecular dynamics-based methods, NMR-I-TASSER takes a molecular replacement-like approach to the problem by first threading the target through the PDB to identify structural templates which are then used for iterative NOE assignments and fragment structure assembly refinements. The employment of multiple templates allows NMR-I-TASSER to sample different topologies while convergence to a single structure is not required. Retroactive and blind tests of the CASD-NMR targets from Rounds 1 and 2 demonstrate that even without using NOE peak lists I-TASSER can generate correct structure topology with 15 of 20 targets having a TM-score above 0.5. With the addition of NOE-based distance restraints, NMR-I-TASSER significantly improved the I-TASSER models with all models having the TM-score above 0.5. The average RMSD was reduced from 5.29 to 2.14 Å in Round 1 and 3.18 to 1.71 Å in Round 2. There is no obvious difference in the modeling results with using raw and refined peak lists, indicating robustness of the pipeline to the NOE assignment errors. Overall, despite the low-resolution modeling the current NMR-I-TASSER pipeline provides a coarse-grained structure folding approach complementary to traditional molecular dynamics simulations, which can produce fast near-native frameworks for atomic-level structural refinement.
Two-dimensional NQR using ultra-broadband electronics
Mandal, S.; Song, Y.-Q.
2014-03-01
We have recently developed an ultra-broadband instrument that can effectively excite and detect NMR and NQR signals over a wide frequency range. Our current system operates between 100 kHz and 3.2 MHz using an un-tuned sample coil. The major benefits of this instrument compared to conventional NQR/NMR systems include increased robustness, ease of use (in particular for multi-frequency experiments), and elimination of the need for tuning adjustments in the hardware. Here we describe its use for performing two-dimensional (2D) scans, which allow improved interpretation of complex NQR spectra by detecting the connected resonances. Our method relies on population transfers between the three energy levels of spin-1 nuclei (such as 14N) by using multi-frequency excitation and a single RF coil. Experimental results on pure samples and mixtures are also presented.
Thornhill, J. W.; Giuliani, J. L.; Chong, Y. K.; Velikovich, A. L.; Dasgupta, A.; Apruzese, J. P.; Jones, B.; Ampleford, D. J.; Coverdale, C. A.; Jennings, C. A.; Waisman, E. M.; Lamppa, D. C.; McKenney, J. L.; Cuneo, M. E.; Krishnan, M.; Coleman, P. L.; Madden, R. E.; Elliott, K. W.
2012-09-01
Argon Z-pinch experiments are to be performed on the refurbished Z machine (which we will refer to as ZR here in order to distinguish between pre-refurbishment Z) at Sandia National Laboratories with a new 8 cm diameter double-annulus gas puff nozzle constructed by Alameda Applied Sciences Corporation (AASC). The gas exits the nozzle from an outer and inner annulus and a central jet. The amount of gas present in each region can be varied. Here a two-dimensional radiation MHD (2DRMHD) model, MACH2-TCRE, with tabular collisional radiative equilibrium atomic kinetics is used to theoretically investigate stability and K-shell emission properties of several measured (interferometry) initial gas distributions emanating from this new nozzle. Of particular interest is to facilitate that the distributions employed in future experiments have stability and K-shell emission properties that are at least as good as the Titan nozzle generated distribution that was successfully fielded in earlier experiments on the Z machine before it underwent refurbishment. The model incorporates a self-consistent calculation for non-local thermodynamic equilibrium kinetics and ray-trace based radiation transport. This level of detail is necessary in order to model opacity effects, non-local radiation effects, and the high temperature state of K-shell emitting Z-pinch loads. Comparisons of radiation properties and stability of measured AASC gas profiles are made with that of the distribution used in the pre-refurbished Z experiments. Based on these comparisons, an optimal K-shell emission producing initial gas distribution is determined from among the AASC nozzle measured distributions and predictions are made for K-shell yields attainable from future ZR experiments.
Directory of Open Access Journals (Sweden)
Y. V. Konovalov
2015-11-01
Full Text Available The prognostic experiments for fast-flowing ice streams on the southern side of the Academy of Sciences Ice Cap in the Komsomolets Island, Severnaya Zemlya archipelago, are implemented in this study. These experiments are based on inversions of basal friction coefficients using a two-dimensional flow-line thermo-coupled model and the Tikhonov's regularization method. The modeled ice temperature distributions in the cross-sections were obtained using the ice surface temperature histories that were inverted previously from the borehole temperature profiles derived at the Academy of Sciences Ice Cap. Input data included InSAR ice surface velocities, ice surface elevations, and ice thicknesses obtained from airborne measurements and the surface mass balance, were adopted from the prior investigations for the implementation of both the forward and inverse problems. The prognostic experiments reveal that both ice mass and ice stream extents decline for the reference time-independent surface mass balance. Specifically, the grounding line retreats (a along the B–B' flow line from ~ 40 to ~ 30 km (the distance from the summit, (b along the C–C' flow line from ~ 43 to ~ 37 km, and (c along the D–D' flow line from ~ 41 to ~ 32 km considering a time period of 500 years and assuming time-independent surface mass balance. Ice flow velocities in the ice streams decrease with time and this trend results in the overall decline of the outgoing ice flux. Generally, the modeled histories are in agreement with observations of sea ice extent and thickness indicating a continual ice decline in the Arctic.
Bandoli, Giuliano; Nicolini, Marino; Pappalardo, Giuseppe C.; Grassi, Antonio; Perly, Bruno
1987-04-01
The crystal and molecular structure of the nootropic agent N-[2-( N,N-diisopropyl-amino)ethyl]-2-oxo-1-pyrrolidinacetamide sulphate was determined by X-ray analysis. The conformational properties in the solution state were deduced from the 1H-NMR spectrum run in 2H 2O at 500 MHz. Spectral assignments were made with the aid of the COSY 45 shift correlation experiment. Crystals were triclinic with unit cell dimensions a = 13.410(10), b = 11.382(8), c = 6.697(4) », α = 83.80(3), β = 88.61(3)and γ = 72.25(6)° ; space group Poverline1. The structure was determined from 1047 three-dimensional counter data and refined to a value of 7.5% for the conventional discrepancy factor R. One molecule of the solvent acetonitrile is incorporated per two of the (C 14H 28N 3O 2) +-(HSO 4) -. The five-membered heterocyclic ring is in an envelope ( Cs) conformation and the "flap" atom deviates by 0.31 » from the plane of the other four. This plane forms a dihedral angle of 71.4° with the amide group, with the CO fragment directed toward the ring. All bond angles and distances are in good agreement with expected standard values. A strong OH⋯O intermolecular bond (2.61 ») links the cation of the hydrogen-sulphate anion, while the loosely held MeCN molecule is trapped in the polar pockets. The molecular conformation in the solid was compared with results from 1H NMR spectral analysis which showed that in solution wide torsional oscillations can occur about the bonds of the chain bonded to the N(1) atom.
Cation Hydration Constants by Proton NMR: A Physical Chemistry Experiment.
Smith, Robert L.; And Others
1988-01-01
Studies the polarization effect on water by cations and anions. Describes an experiment to illustrate the polarization effect of sodium, lithium, calcium, and strontium ions on the water molecule in the hydration spheres of the ions. Analysis is performed by proton NMR. (MVL)
Spatial reorientation experiments for NMR of solids and partially oriented liquids.
Martin, Rachel W; Kelly, John E; Collier, Kelsey A
2015-11-01
Motional reorientation experiments are extensions of Magic Angle Spinning (MAS) where the rotor axis is changed in order to average out, reintroduce, or scale anisotropic interactions (e.g. dipolar couplings, quadrupolar interactions or chemical shift anisotropies). This review focuses on Variable Angle Spinning (VAS), Switched Angle Spinning (SAS), and Dynamic Angle Spinning (DAS), all of which involve spinning at two or more different angles sequentially, either in successive experiments or during a multidimensional experiment. In all of these experiments, anisotropic terms in the Hamiltonian are scaled by changing the orientation of the spinning sample relative to the static magnetic field. These experiments vary in experimental complexity and instrumentation requirements. In VAS, many one-dimensional spectra are collected as a function of spinning angle. In SAS, dipolar couplings and/or chemical shift anisotropies are reintroduced by switching the sample between two different angles, often 0° or 90° and the magic angle, yielding a two-dimensional isotropic-anisotropic correlation spectrum. Dynamic Angle Spinning (DAS) is a related experiment that is used to simultaneously average out the first- and second-order quadrupolar interactions, which cannot be accomplished by spinning at any unique rotor angle in physical space. Although motional reorientation experiments generally require specialized instrumentation and data analysis schemes, some are accessible with only minor modification of standard MAS probes. In this review, the mechanics of each type of experiment are described, with representative examples. Current and historical probe and coil designs are discussed from the standpoint of how each one accomplishes the particular objectives of the experiment(s) it was designed to perform. Finally, applications to inorganic materials and liquid crystals, which present very different experimental challenges, are discussed. The review concludes with perspectives
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.
Juday, Richard D.
1992-01-01
Modified vernier scale gives accurate two-dimensional coordinates from maps, drawings, or cathode-ray-tube displays. Movable circular overlay rests on fixed rectangular-grid overlay. Pitch of circles nine-tenths that of grid and, for greatest accuracy, radii of circles large compared with pitch of grid. Scale enables user to interpolate between finest divisions of regularly spaced rule simply by observing which mark on auxiliary vernier rule aligns with mark on primary rule.
Diamagnetic phase transitions in two-dimensional conductors
Bakaleinikov, L. A.; Gordon, A.
2014-11-01
A theory describing the susceptibility amplitude and the magnetic induction bifurcation near the dHvA driven diamagnetic phase transitions in quasi two-dimensional (2D) organic conductors of the (ET)2X with X=Cu(NCS)2, KHg(SCN)4, I3, AuBr2, IBr2, etc. is presented. We show that there is a drastic increase in the temperature and magnetic field dependence of the susceptibility amplitude on approaching the diamagnetic phase transition point. Near the phase transition point the temperature and magnetic field dependences are fitted by the ones typical of the mean-field phase transition theory. These dependences confirm the long-range character of the magnetic interactions among the conduction electrons leading to diamagnetic phase transitions. We demonstrate that the magnetic induction splitting of nuclear magnetic resonance (NMR) and muon spin-rotation spectroscopy (μSR) lines due to two Condon domains decreases tending to zero on approaching the diamagnetic phase transition. This decrease is fitted by the temperature and magnetic field dependence of the susceptibility characteristic of the mean-field theory of phase transitions. Performing new susceptibility, NMR and μSR experiments will enable to detect diamagnetic phase transitions and Condon domains in quasi 2D metals.
Institute of Scientific and Technical Information of China (English)
LIU Xue-Hui; LIN Dong-Hai
2007-01-01
This paper describes an amide-exchange-rate-edited (AERE) NMR method that can effectively alleviate the problem of resonance overlap for proteins and peptides. This method exploits the diversity of amide proton exchange rates and consists of two complementary experiments: (1) SEA (solvent exposed amide)-type NMR experiments to map exchangeable surface residues whose amides are not involved in hydrogen bonding, and (2) presat-type NMR experiments to map solvent inaccessibly buried residues or nonexchangeable residues located in hydrogen-bonded secondary structures with properly controlled saturation transfer via amide proton exchanges with the solvent. This method separates overlapping resonances in a spectrum into two complementary spectra. The AERE-NMR method was demonstrated with a sample of 15N/13C/2H(70%) labeled ribosome-inactivating protein trichosanthin of 247 residues.
Bahrami, Arash; Tonelli, Marco; Sahu, Sarata C; Singarapu, Kiran K; Eghbalnia, Hamid R; Markley, John L
2012-01-01
ADAPT-NMR (Assignment-directed Data collection Algorithm utilizing a Probabilistic Toolkit in NMR) represents a groundbreaking prototype for automated protein structure determination by nuclear magnetic resonance (NMR) spectroscopy. With a [(13)C,(15)N]-labeled protein sample loaded into the NMR spectrometer, ADAPT-NMR delivers complete backbone resonance assignments and secondary structure in an optimal fashion without human intervention. ADAPT-NMR achieves this by implementing a strategy in which the goal of optimal assignment in each step determines the subsequent step by analyzing the current sum of available data. ADAPT-NMR is the first iterative and fully automated approach designed specifically for the optimal assignment of proteins with fast data collection as a byproduct of this goal. ADAPT-NMR evaluates the current spectral information, and uses a goal-directed objective function to select the optimal next data collection step(s) and then directs the NMR spectrometer to collect the selected data set. ADAPT-NMR extracts peak positions from the newly collected data and uses this information in updating the analysis resonance assignments and secondary structure. The goal-directed objective function then defines the next data collection step. The procedure continues until the collected data support comprehensive peak identification, resonance assignments at the desired level of completeness, and protein secondary structure. We present test cases in which ADAPT-NMR achieved results in two days or less that would have taken two months or more by manual approaches.
Directory of Open Access Journals (Sweden)
Arash Bahrami
Full Text Available ADAPT-NMR (Assignment-directed Data collection Algorithm utilizing a Probabilistic Toolkit in NMR represents a groundbreaking prototype for automated protein structure determination by nuclear magnetic resonance (NMR spectroscopy. With a [(13C,(15N]-labeled protein sample loaded into the NMR spectrometer, ADAPT-NMR delivers complete backbone resonance assignments and secondary structure in an optimal fashion without human intervention. ADAPT-NMR achieves this by implementing a strategy in which the goal of optimal assignment in each step determines the subsequent step by analyzing the current sum of available data. ADAPT-NMR is the first iterative and fully automated approach designed specifically for the optimal assignment of proteins with fast data collection as a byproduct of this goal. ADAPT-NMR evaluates the current spectral information, and uses a goal-directed objective function to select the optimal next data collection step(s and then directs the NMR spectrometer to collect the selected data set. ADAPT-NMR extracts peak positions from the newly collected data and uses this information in updating the analysis resonance assignments and secondary structure. The goal-directed objective function then defines the next data collection step. The procedure continues until the collected data support comprehensive peak identification, resonance assignments at the desired level of completeness, and protein secondary structure. We present test cases in which ADAPT-NMR achieved results in two days or less that would have taken two months or more by manual approaches.
Kazemifar, F.; Blois, G.; Kyritsis, D. C.; Christensen, K. T.
2013-12-01
A novel experimental apparatus has been developed to study the interaction between liquid/supercritical CO2 and water in a two-dimensional porous micro-model. This flow process is very similar to what is encountered in many engineering applications such as sequestration of CO2 in geological formations (Carbon Capture and Sequestration, CCS) as well as enhanced oil recovery operations (EOR). Saline aquifers have very high potential for geological sequestration of CO2 based on several factors, including high capacity, economics and minimum environmental impact. Several CO2 injection and sequestration projects are currently in operation (e.g. Sleipner project in Norway), and numerous other projects are planned for the near future. While several studies exist on the large temporal- and spatial- scale effects of CO2 injection, the fluid-dynamic mechanisms at the pore-scale are largely unknown. In fact, recent studies suggest that such processes may be far more complex than previously addressed. CO2 and water/brine are immiscible, thus during the injection process of CO2 into a liquid-saturated porous structure, CO2 must displace the resident fluid. The lower viscosity and density of CO2 compared to water results in complex mechanisms of water displacement. While early studies focused on qualitative observations of fluid-fluid interactions, in this study, the microscopic particle image velocimetry (μPIV) technique is employed to quantify the flow fields within each fluid phase. The interface dynamics, migration and trapping mechanisms are of particular interest. In such flows, viscosity and interfacial tension are known as the main controlling parameters. In this regard, a challenging aspect of this work is that, in the vicinity of the critical point, these properties become very sensitive to changes in pressure and temperature. Additionally, despite the low Reynolds number of the flow, inertial effects are found to control the dynamics of flow patterns at the fluid
Two-dimensional liquid chromatography
DEFF Research Database (Denmark)
Græsbøll, Rune
Two-dimensional liquid chromatography has received increasing interest due to the rise in demand for analysis of complex chemical mixtures. Separation of complex mixtures is hard to achieve as a simple consequence of the sheer number of analytes, as these samples might contain hundreds or even...... dimensions. As a consequence of the conclusions made within this thesis, the research group has, for the time being, decided against further development of online LC×LC systems, since it was not deemed ideal for the intended application, the analysis of the polar fraction of oil. Trap-and...
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.
Directory of Open Access Journals (Sweden)
Vorwerk Hilke
2011-02-01
Full Text Available Abstract Purpose To verify the dose distribution and number of monitor units (MU for dynamic treatment techniques like volumetric modulated single arc radiation therapy - Rapid Arc - each patient treatment plan has to be verified prior to the first treatment. The purpose of this study was to develop a patient related treatment plan verification protocol using a two dimensional ionization chamber array (MatriXX, IBA, Schwarzenbruck, Germany. Method Measurements were done to determine the dependence between response of 2D ionization chamber array, beam direction, and field size. Also the reproducibility of the measurements was checked. For the patient related verifications the original patient Rapid Arc treatment plan was projected on CT dataset of the MatriXX and the dose distribution was calculated. After irradiation of the Rapid Arc verification plans measured and calculated 2D dose distributions were compared using the gamma evaluation method implemented in the measuring software OmniPro (version 1.5, IBA, Schwarzenbruck, Germany. Results The dependence between response of 2D ionization chamber array, field size and beam direction has shown a passing rate of 99% for field sizes between 7 cm × 7 cm and 24 cm × 24 cm for measurements of single arc. For smaller and larger field sizes than 7 cm × 7 cm and 24 cm × 24 cm the passing rate was less than 99%. The reproducibility was within a passing rate of 99% and 100%. The accuracy of the whole process including the uncertainty of the measuring system, treatment planning system, linear accelerator and isocentric laser system in the treatment room was acceptable for treatment plan verification using gamma criteria of 3% and 3 mm, 2D global gamma index. Conclusion It was possible to verify the 2D dose distribution and MU of Rapid Arc treatment plans using the MatriXX. The use of the MatriXX for Rapid Arc treatment plan verification in clinical routine is reasonable. The passing rate should be 99
Two-dimensional quantum repeaters
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.
Two-dimensional capillary origami
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.
Two-dimensional cubic convolution.
Reichenbach, Stephen E; Geng, Frank
2003-01-01
The paper develops two-dimensional (2D), nonseparable, piecewise cubic convolution (PCC) for image interpolation. Traditionally, PCC has been implemented based on a one-dimensional (1D) derivation with a separable generalization to two dimensions. However, typical scenes and imaging systems are not separable, so the traditional approach is suboptimal. We develop a closed-form derivation for a two-parameter, 2D PCC kernel with support [-2,2] x [-2,2] that is constrained for continuity, smoothness, symmetry, and flat-field response. Our analyses, using several image models, including Markov random fields, demonstrate that the 2D PCC yields small improvements in interpolation fidelity over the traditional, separable approach. The constraints on the derivation can be relaxed to provide greater flexibility and performance.
Wigger, Stefan; Füßer, Hans-Jürgen; Fuhrmann, Daniel; Schulz, Christof; Kaiser, Sebastian A
2016-01-10
This paper describes advances in using laser-induced fluorescence of dyes for imaging the thickness of oil films in a rotating ring tribometer with optical access, an experiment representing a sliding piston ring in an internal combustion engine. A method for quantitative imaging of the oil-film thickness is developed that overcomes the main challenge, the accurate calibration of the detected fluorescence signal for film thicknesses in the micrometer range. The influence of the background material and its surface roughness is examined, and a method for flat-field correction is introduced. Experiments in the tribometer show that the method yields quantitative, physically plausible results, visualizing features with submicrometer thickness.
Classifying Two-dimensional Hyporeductive Triple Algebras
Issa, A Nourou
2010-01-01
Two-dimensional real hyporeductive triple algebras (h.t.a.) are investigated. A classification of such algebras is presented. As a consequence, a classification of two-dimensional real Lie triple algebras (i.e. generalized Lie triple systems) and two-dimensional real Bol algebras is given.
FACE RECOGNITION USING TWO DIMENSIONAL LAPLACIAN EIGENMAP
Institute of Scientific and Technical Information of China (English)
Chen Jiangfeng; Yuan Baozong; Pei Bingnan
2008-01-01
Recently,some research efforts have shown that face images possibly reside on a nonlinear sub-manifold. Though Laplacianfaces method considered the manifold structures of the face images,it has limits to solve face recognition problem. This paper proposes a new feature extraction method,Two Dimensional Laplacian EigenMap (2DLEM),which especially considers the manifold structures of the face images,and extracts the proper features from face image matrix directly by using a linear transformation. As opposed to Laplacianfaces,2DLEM extracts features directly from 2D images without a vectorization preprocessing. To test 2DLEM and evaluate its performance,a series of ex-periments are performed on the ORL database and the Yale database. Moreover,several experiments are performed to compare the performance of three 2D methods. The experiments show that 2DLEM achieves the best performance.
ONE-DIMENSIONAL AND TWO-DIMENSIONAL LEADERSHIP STYLES
Directory of Open Access Journals (Sweden)
Nikola Stefanović
2007-06-01
Full Text Available In order to motivate their group members to perform certain tasks, leaders use different leadership styles. These styles are based on leaders' backgrounds, knowledge, values, experiences, and expectations. The one-dimensional styles, used by many world leaders, are autocratic and democratic styles. These styles lie on the two opposite sides of the leadership spectrum. In order to precisely define the leadership styles on the spectrum between the autocratic leadership style and the democratic leadership style, leadership theory researchers use two dimensional matrices. The two-dimensional matrices define leadership styles on the basis of different parameters. By using these parameters, one can identify two-dimensional styles.
Diamagnetic phase transitions in two-dimensional conductors
Energy Technology Data Exchange (ETDEWEB)
Bakaleinikov, L.A., E-mail: bakal.ammp@mail.ioffe.ru [A.F. Ioffe Physico-Technical Institute, Russian Academy of Sciences, St. Petersburg 194021 (Russian Federation); Department of Mathematics and Physics, Faculty of Natural Sciences, University of Haifa, Campus Oranim, Tivon 36006 (Israel); Gordon, A. [Department of Mathematics and Physics, Faculty of Natural Sciences, University of Haifa, Campus Oranim, Tivon 36006 (Israel)
2014-11-15
A theory describing the susceptibility amplitude and the magnetic induction bifurcation near the dHvA driven diamagnetic phase transitions in quasi two-dimensional (2D) organic conductors of the (ET){sub 2}X with X=Cu(NCS){sub 2},KHg(SCN){sub 4},I{sub 3},AuBr{sub 2},IBr{sub 2}, etc. is presented. We show that there is a drastic increase in the temperature and magnetic field dependence of the susceptibility amplitude on approaching the diamagnetic phase transition point. Near the phase transition point the temperature and magnetic field dependences are fitted by the ones typical of the mean-field phase transition theory. These dependences confirm the long-range character of the magnetic interactions among the conduction electrons leading to diamagnetic phase transitions. We demonstrate that the magnetic induction splitting of nuclear magnetic resonance (NMR) and muon spin-rotation spectroscopy (μSR) lines due to two Condon domains decreases tending to zero on approaching the diamagnetic phase transition. This decrease is fitted by the temperature and magnetic field dependence of the susceptibility characteristic of the mean-field theory of phase transitions. Performing new susceptibility, NMR and μSR experiments will enable to detect diamagnetic phase transitions and Condon domains in quasi 2D metals. - Highlights: • A theory of diamagnetic phase transitions (DPTs) is presented in 2D organic conductors. • The behaviour of the susceptibility amplitude and the induction splitting is shown near the DPT. • The calculated quantities are described by the mean-field theory of phase transitions.
Two-dimensional function photonic crystals
Wu, Xiang-Yao; Liu, Xiao-Jing; Liang, Yu
2016-01-01
In this paper, we have firstly proposed two-dimensional function photonic crystals, which the dielectric constants of medium columns are the functions of space coordinates $\\vec{r}$, it is different from the two-dimensional conventional photonic crystals constituting by the medium columns of dielectric constants are constants. We find the band gaps of two-dimensional function photonic crystals are different from the two-dimensional conventional photonic crystals, and when the functions form of dielectric constants are different, the band gaps structure should be changed, which can be designed into the appropriate band gaps structures by the two-dimensional function photonic crystals.
Chang, G. S.; Lillo, M. A.
2009-08-01
The National Nuclear Security Administrations (NNSA) Reduced Enrichment for Research and Test Reactors (RERTR) program assigned to the Idaho National Laboratory (INL) the responsibility of developing and demonstrating high uranium density research reactor fuel forms to enable the use of low enriched uranium (LEU) in research and test reactors around the world. A series of full-size fuel plate experiments have been proposed for irradiation testing in the center flux trap (CFT) position of the Advanced Test Reactor (ATR). These full-size fuel plate tests are designated as the AFIP tests. The AFIP nominal fuel zone is rectangular in shape having a designed length of 21.5-in (54.61-cm), width of 1.6-in (4.064-cm), and uniform thickness of 0.014-in (0.03556-cm). This gives a nominal fuel zone volume of 0.482 in3 (7.89 cm3) per fuel plate. The AFIP test assembly has two test positions. Each test position is designed to hold 2 full-size plates, for a total of 4 full-size plates per test assembly. The AFIP test plates will be irradiated at a peak surface heat flux of about 350 W/cm2 and discharged at a peak U-235 burn-up of about 70 at.%. Based on limited irradiation testing of the monolithic (U-10Mo) fuel form, it is desirable to keep the peak fuel temperature below 250°C to achieve this, it will be necessary to keep plate heat fluxes below 500 W/cm2. Due to the heavy U-235 loading and a plate width of 1.6-in (4.064-cm), the neutron self-shielding will increase the local-to-average-ratio (L2AR) fission power near the sides of the fuel plates. To demonstrate that the AFIP experiment will meet the ATR safety requirements, a very detailed 2-dimensional (2D) Y-Z fission power profile was evaluated in order to best predict the fuel plate temperature distribution. The ability to accurately predict fuel plate power and burnup are essential to both the design of the AFIP tests as well as evaluation of the irradiated fuel performance. To support this need, a detailed MCNP Y
Diffusion coefficient distribution from NMR-DOSY experiments using Hopfield neural network
Sebastião, Rita C. O.; Pacheco, Carlos N.; Braga, J. P.; Piló-Veloso, Dorila
2006-09-01
Diffusion ordered spectroscopy (DOSY) is a powerful two-dimensional NMR method to study molecular translation in various systems. The diffusion coefficients are usually retrieved, at each frequency, from a fit procedure on the experimental data, considering a unique coefficient for each molecule or mixture. However, the fit can be improved if one regards the decaying curve as a multiexponential function and the diffusion coefficient as a distribution. This work presents a computer code based on the Hopfield neural network to invert the data. One small-molecule binary mixture with close diffusion coefficients is treated with this approach, demonstrating the effectiveness of the method.
Janus Spectra in Two-Dimensional Flows
Liu, Chien-Chia; Cerbus, Rory T.; Chakraborty, Pinaki
2016-09-01
In large-scale atmospheric flows, soap-film flows, and other two-dimensional flows, the exponent of the turbulent energy spectra, α , may theoretically take either of two distinct values, 3 or 5 /3 , but measurements downstream of obstacles have invariably revealed α =3 . Here we report experiments on soap-film flows where downstream of obstacles there exists a sizable interval in which α transitions from 3 to 5 /3 for the streamwise fluctuations but remains equal to 3 for the transverse fluctuations, as if two mutually independent turbulent fields of disparate dynamics were concurrently active within the flow. This species of turbulent energy spectra, which we term the Janus spectra, has never been observed or predicted theoretically. Our results may open up new vistas in the study of turbulence and geophysical flows.
Hadamard States and Two-dimensional Gravity
Salehi, H
2001-01-01
We have used a two-dimensional analog of the Hadamard state-condition to study the local constraints on the two-point function of a linear quantum field conformally coupled to a two-dimensional gravitational background. We develop a dynamical model in which the determination of the state of the quantum field is essentially related to the determination of a conformal frame. A particular conformal frame is then introduced in which a two-dimensional gravitational equation is established.
Topological defects in two-dimensional crystals
Chen, Yong; Qi, Wei-Kai
2008-01-01
By using topological current theory, we study the inner topological structure of the topological defects in two-dimensional (2D) crystal. We find that there are two elementary point defects topological current in two-dimensional crystal, one for dislocations and the other for disclinations. The topological quantization and evolution of topological defects in two-dimensional crystals are discussed. Finally, We compare our theory with Brownian-dynamics simulations in 2D Yukawa systems.
Widodo, Chomsin S.; Fujii, Muneaki
2012-12-01
NMR measurement have been made at low temperatures on the crystal structure of K2CuF4 and (C3H7NH3)2CuCl4 at zero applied magnetic field. 63Cu, 65Cu and 35Cl NMR have been used to measure spontaneous magnetization at the temperature range 2 K down to 30 mK. We have made the NMR experiments using a 3He-4He dilution refrigerator by conventional pulsed NMR method without external magnetic field. The magnetization at zero applied magnetic field in the nearly two-dimensional ferromagnet K2CuF4 of the experimental data is in a good agreement with Yamaji-Kondo theory and θc = 0.3, which is applied the double-time Green's function method incorporated with Tyablikov's decoupling. For temperature 1.1 K down to 0.26 K, the spontaneous magnetization of (C3H7NH3)2CuCl4 is support (t log t')-formalism from the spin wave theory.
Measurement of Solution Viscosity via Diffusion-Ordered NMR Spectroscopy (DOSY)
Li, Weibin; Kagan, Gerald; Hopson, Russell; Williard, Paul G.
2011-01-01
Increasingly, the undergraduate chemistry curriculum includes nuclear magnetic resonance (NMR) spectroscopy. Advanced NMR techniques are often taught including two-dimensional gradient-based experiments. An investigation of intermolecular forces including viscosity, by a variety of methods, is often integrated in the undergraduate physical and…
Measurement of Solution Viscosity via Diffusion-Ordered NMR Spectroscopy (DOSY)
Li, Weibin; Kagan, Gerald; Hopson, Russell; Williard, Paul G.
2011-01-01
Increasingly, the undergraduate chemistry curriculum includes nuclear magnetic resonance (NMR) spectroscopy. Advanced NMR techniques are often taught including two-dimensional gradient-based experiments. An investigation of intermolecular forces including viscosity, by a variety of methods, is often integrated in the undergraduate physical and…
Energy Technology Data Exchange (ETDEWEB)
Takamori, S.; Sakaguchi, H. [National Aerospace Laboratory, Tokyo (Japan)
1991-12-01
A two-dimensional cascade experiment requires air to be sucked to prevent air flow separation at the cascades. This paper describes a straigth-tube type air ejector (subsonic) fabricated for use as an air sucking low-pressure source in a supersonic cascade tunnel. Investigations were made on effects of the ratio of nozzle area to mixing tube throat area, AR, and the total primary folw pressure ratio, P{sub 01} /P{sub A}, on the relationship between the secondary folw rate, w{sub 2}, and the secondary (suction) side pressure ratio,P{sub 02} /p{sub A}. As a result, a relationship (secondary side folw rate characterisic) was obtained of the W{sub 2} using the AR as an index and the P{sub 01} /P{sub A} as a parameter with the P{sub 2} /P{sub A}. Influences from the AR and the P{sub 01} /P{sub A} were also identified. Discussions were also given on the air sucking conditions during transonic and supersonic cascade experiment for representative cascade shapes and conditions (stagger angles, pitch chord rations, flow-in Mach numbers), as well as the secondary side flow rate characteristics of this ejector. A conclusion was drawn that this ejector can be used in experiment with a Mach number of less than 1.2. 3 refs., 11 figs., 2 tabs.
Energy Technology Data Exchange (ETDEWEB)
Takamori, S.; Sakaguchi, H. (National Aerospace Laboratory, Tokyo (Japan))
1991-12-01
A two-dimensional cascade experiment requires air to be sucked to prevent air flow separation at the cascades. This paper describes a straigth-tube type air ejector (subsonic) fabricated for use as an air sucking low-pressure source in a supersonic cascade tunnel. Investigations were made on effects of the ratio of nozzle area to mixing tube throat area, AR, and the total primary folw pressure ratio, P{sub 01} /P{sub A}, on the relationship between the secondary folw rate, w{sub 2}, and the secondary (suction) side pressure ratio,P{sub 02} /p{sub A}. As a result, a relationship (secondary side folw rate characterisic) was obtained of the W{sub 2} using the AR as an index and the P{sub 01} /P{sub A} as a parameter with the P{sub 2} /P{sub A}. Influences from the AR and the P{sub 01} /P{sub A} were also identified. Discussions were also given on the air sucking conditions during transonic and supersonic cascade experiment for representative cascade shapes and conditions (stagger angles, pitch chord rations, flow-in Mach numbers), as well as the secondary side flow rate characteristics of this ejector. A conclusion was drawn that this ejector can be used in experiment with a Mach number of less than 1.2. 3 refs., 11 figs., 2 tabs.
Strongly interacting two-dimensional Dirac fermions
Lim, L.K.; Lazarides, A.; Hemmerich, Andreas; de Morais Smith, C.
2009-01-01
We show how strongly interacting two-dimensional Dirac fermions can be realized with ultracold atoms in a two-dimensional optical square lattice with an experimentally realistic, inherent gauge field, which breaks time reversal and inversion symmetries. We find remarkable phenomena in a temperature
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....
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)
Two Dimensional Plasmonic Cavities on Moire Surfaces
Balci, Sinan; Kocabas, Askin; Karabiyik, Mustafa; Kocabas, Coskun; Aydinli, Atilla
2010-03-01
We investigate surface plasmon polariton (SPP) cavitiy modes on two dimensional Moire surfaces in the visible spectrum. Two dimensional hexagonal Moire surface can be recorded on a photoresist layer using Interference lithography (IL). Two sequential exposures at slightly different angles in IL generate one dimensional Moire surfaces. Further sequential exposure for the same sample at slightly different angles after turning the sample 60 degrees around its own axis generates two dimensional hexagonal Moire cavity. Spectroscopic reflection measurements have shown plasmonic band gaps and cavity states at all the azimuthal angles (omnidirectional cavity and band gap formation) investigated. The plasmonic band gap edge and the cavity states energies show six fold symmetry on the two dimensional Moire surface as measured in reflection measurements.
Two-dimensional function photonic crystals
Liu, Xiao-Jing; Liang, Yu; Ma, Ji; Zhang, Si-Qi; Li, Hong; Wu, Xiang-Yao; Wu, Yi-Heng
2017-01-01
In this paper, we have studied two-dimensional function photonic crystals, in which the dielectric constants of medium columns are the functions of space coordinates , that can become true easily by electro-optical effect and optical kerr effect. We calculated the band gap structures of TE and TM waves, and found the TE (TM) wave band gaps of function photonic crystals are wider (narrower) than the conventional photonic crystals. For the two-dimensional function photonic crystals, when the dielectric constant functions change, the band gaps numbers, width and position should be changed, and the band gap structures of two-dimensional function photonic crystals can be adjusted flexibly, the needed band gap structures can be designed by the two-dimensional function photonic crystals, and it can be of help to design optical devices.
Two-Dimensional Planetary Surface Lander
Hemmati, H.; Sengupta, A.; Castillo, J.; McElrath, T.; Roberts, T.; Willis, P.
2014-06-01
A systems engineering study was conducted to leverage a new two-dimensional (2D) lander concept with a low per unit cost to enable scientific study at multiple locations with a single entry system as the delivery vehicle.
Janus spectra in two-dimensional flows
Liu, Chien-Chia; Chakraborty, Pinaki
2016-01-01
In theory, large-scale atmospheric flows, soap-film flows and other two-dimensional flows may host two distinct types of turbulent energy spectra---in one, $\\alpha$, the spectral exponent of velocity fluctuations, equals $3$ and the fluctuations are dissipated at the small scales, and in the other, $\\alpha=5/3$ and the fluctuations are dissipated at the large scales---but measurements downstream of obstacles have invariably revealed $\\alpha = 3$. Here we report experiments on soap-film flows where downstream of obstacles there exists a sizable interval in which $\\alpha$ has transitioned from $3$ to $5/3$ for the streamwise fluctuations but remains equal to $3$ for the transverse fluctuations, as if two mutually independent turbulent fields of disparate dynamics were concurrently active within the flow. This species of turbulent energy spectra, which we term the Janus spectra, has never been observed or predicted theoretically. Our results may open up new vistas in the study of turbulence and geophysical flows...
Comparative Two-Dimensional Fluorescence Gel Electrophoresis.
Ackermann, Doreen; König, Simone
2018-01-01
Two-dimensional comparative fluorescence gel electrophoresis (CoFGE) uses an internal standard to increase the reproducibility of coordinate assignment for protein spots visualized on 2D polyacrylamide gels. This is particularly important for samples, which need to be compared without the availability of replicates and thus cannot be studied using differential gel electrophoresis (DIGE). CoFGE corrects for gel-to-gel variability by co-running with the sample proteome a standardized marker grid of 80-100 nodes, which is formed by a set of purified proteins. Differentiation of reference and analyte is possible by the use of two fluorescent dyes. Variations in the y-dimension (molecular weight) are corrected by the marker grid. For the optional control of the x-dimension (pI), azo dyes can be used. Experiments are possible in both vertical and horizontal (h) electrophoresis devices, but hCoFGE is much easier to perform. For data analysis, commercial software capable of warping can be adapted.
Two-Dimensional Electronic Spectroscopy Using Incoherent Light: Theoretical Analysis
Turner, Daniel B; Sutor, Erika J; Hendrickson, Rebecca A; Gealy, M W; Ulness, Darin J
2012-01-01
Electronic energy transfer in photosynthesis occurs over a range of time scales and under a variety of intermolecular coupling conditions. Recent work has shown that electronic coupling between chromophores can lead to coherent oscillations in two-dimensional electronic spectroscopy measurements of pigment-protein complexes measured with femtosecond laser pulses. A persistent issue in the field is to reconcile the results of measurements performed using femtosecond laser pulses with physiological illumination conditions. Noisy-light spectroscopy can begin to address this question. In this work we present the theoretical analysis of incoherent two-dimensional electronic spectroscopy, I(4) 2D ES. Simulations reveal diagonal peaks, cross peaks, and coherent oscillations similar to those observed in femtosecond two-dimensional electronic spectroscopy experiments. The results also expose fundamental differences between the femtosecond-pulse and noisy-light techniques; the differences lead to new challenges and opp...
Citrus Quality Control: An NMR/MRI Problem-Based Experiment
Erhart, Sarah E.; McCarrick, Robert M.; Lorigan, Gary A.; Yezierski, Ellen J.
2016-01-01
An experiment seated in an industrial context can provide an engaging framework and unique learning opportunity for an upper-division physical chemistry laboratory. An experiment that teaches NMR/MRI through a problem-based quality control of citrus products was developed. In this experiment, using a problem-based learning (PBL) approach, students…
One- and Two-Dimensional Nuclear Magnetic Resonance Spectroscopy with a Diamond Quantum Sensor
Boss, J. M.; Chang, K.; Armijo, J.; Cujia, K.; Rosskopf, T.; Maze, J. R.; Degen, C. L.
2016-05-01
We report on Fourier spectroscopy experiments performed with near-surface nitrogen-vacancy centers in a diamond chip. By detecting the free precession of nuclear spins rather than applying a multipulse quantum sensing protocol, we are able to unambiguously identify the NMR species devoid of harmonics. We further show that, by engineering different Hamiltonians during free precession, the hyperfine coupling parameters as well as the nuclear Larmor frequency can be selectively measured with up to five digits of precision. The protocols can be combined to demonstrate two-dimensional Fourier spectroscopy. Presented techniques will be useful for mapping nuclear coordinates in molecules deposited on diamond sensor chips, en route to imaging their atomic structure.
Two-Dimensional Infrared (2DIR) Spectroscopy of the Peptide Beta3s Folding
Lai, Zaizhi; Preketes, Nicholas K; Jiang, Jun; Mukamel, Shaul; Wang, Jin
2013-01-01
Probing underlying free energy landscape, pathways, and mechanism is the key for understanding protein folding in theory and experiment. Recently time-resolved two-dimensional infrared (2DIR) with femtosecond laser pulses, has emerged as a promising tool for investigating the protein folding dynamics on faster timescales than possible by NMR. We have employed molecular dynamics simulations to compute 2DIR spectra of the folding process of a peptide, Beta3s. Simulated non-chiral and chiral 2DIR signals illustrate the variation of the spectra as the peptide conformation evolves along the free energy landscape. Chiral spectra show stronger changes than the non-chiral signals because cross peaks caused by the formation of the β-sheet are clearly resolved. Chirality-induced 2DIR may be used to detect the folding of β-sheet proteins with high spectral and temporal resolution. PMID:23956818
Interpolation by two-dimensional cubic convolution
Shi, Jiazheng; Reichenbach, Stephen E.
2003-08-01
This paper presents results of image interpolation with an improved method for two-dimensional cubic convolution. Convolution with a piecewise cubic is one of the most popular methods for image reconstruction, but the traditional approach uses a separable two-dimensional convolution kernel that is based on a one-dimensional derivation. The traditional, separable method is sub-optimal for the usual case of non-separable images. The improved method in this paper implements the most general non-separable, two-dimensional, piecewise-cubic interpolator with constraints for symmetry, continuity, and smoothness. The improved method of two-dimensional cubic convolution has three parameters that can be tuned to yield maximal fidelity for specific scene ensembles characterized by autocorrelation or power-spectrum. This paper illustrates examples for several scene models (a circular disk of parametric size, a square pulse with parametric rotation, and a Markov random field with parametric spatial detail) and actual images -- presenting the optimal parameters and the resulting fidelity for each model. In these examples, improved two-dimensional cubic convolution is superior to several other popular small-kernel interpolation methods.
Revised NMR data for incartine: an alkaloid from Galanthus elwesii.
Berkov, Strahil; Reyes-Chilpa, Ricardo; Codina, Carles; Viladomat, Francesc; Bastida, Jaume
2007-07-12
Phytochemical studies on Galanthus elwesii resulted in the isolation of five alkaloids: incartine, hordenine, hippeastrine, 8-O-demethylhomolycorine and lycorine. The NMR data given previously for incartine were revised and completed by two-dimensional 1H-1H and 1H-13C chemical shift correlation experiments. In vitro studies on the bioactivity of incartine were carried out.
Revised NMR data for Incartine: an Alkaloid from Galanthus elwesii
Directory of Open Access Journals (Sweden)
Jaume Bastida
2007-07-01
Full Text Available Phytochemical studies on Galanthus elwesii resulted in the isolation of five alkaloids: incartine, hordenine, hippeastrine, 8-O-demethylhomolycorine and lycorine. The NMR data given previously for incartine were revised and completed by two-dimensional 1H-1H and 1H-13C chemical shift correlation experiments. In vitro studies on the bioactivity of incartine were carried out.
TWO-DIMENSIONAL TOPOLOGY OF COSMOLOGICAL REIONIZATION
Energy Technology Data Exchange (ETDEWEB)
Wang, Yougang; Xu, Yidong; Chen, Xuelei [Key Laboratory of Computational Astrophysics, National Astronomical Observatories, Chinese Academy of Sciences, Beijing, 100012 China (China); Park, Changbom [School of Physics, Korea Institute for Advanced Study, 85 Hoegiro, Dongdaemun-gu, Seoul 130-722 (Korea, Republic of); Kim, Juhan, E-mail: wangyg@bao.ac.cn, E-mail: cbp@kias.re.kr [Center for Advanced Computation, Korea Institute for Advanced Study, 85 Hoegiro, Dongdaemun-gu, Seoul 130-722 (Korea, Republic of)
2015-11-20
We study the two-dimensional topology of the 21-cm differential brightness temperature for two hydrodynamic radiative transfer simulations and two semi-numerical models. In each model, we calculate the two-dimensional genus curve for the early, middle, and late epochs of reionization. It is found that the genus curve depends strongly on the ionized fraction of hydrogen in each model. The genus curves are significantly different for different reionization scenarios even when the ionized faction is the same. We find that the two-dimensional topology analysis method is a useful tool to constrain the reionization models. Our method can be applied to the future observations such as those of the Square Kilometre Array.
Two dimensional topology of cosmological reionization
Wang, Yougang; Xu, Yidong; Chen, Xuelei; Kim, Juhan
2015-01-01
We study the two-dimensional topology of the 21-cm differential brightness temperature for two hydrodynamic radiative transfer simulations and two semi-numerical models. In each model, we calculate the two dimensional genus curve for the early, middle and late epochs of reionization. It is found that the genus curve depends strongly on the ionized fraction of hydrogen in each model. The genus curves are significantly different for different reionization scenarios even when the ionized faction is the same. We find that the two-dimensional topology analysis method is a useful tool to constrain the reionization models. Our method can be applied to the future observations such as those of the Square Kilometer Array.
Kempgens, Pierre; Rosé, Jacky
2011-03-01
Two-dimensional ⁵⁹Co correlation spectroscopy (COSY) and double-quantum-filtered (DQF) COSY NMR experiments are reported for the tetrahedral mixed-metal cluster HFeCo₃(CO)₁₀(PCyH₂)(PPh₂[CH₂C(O)Ph]), which consists from the point of view of ⁵⁹Co NMR spectroscopy, of an AMX system of three-spin S=7/2. Both 2D NMR spectra prove the existence of a J scalar coupling constant between non-equivalent ⁵⁹Co nuclei. By contrast to what happens with the conventional 2D ⁵⁹Co COSY NMR spectrum, it was possible to simulate the 2D ⁵⁹Co DQF-COSY NMR spectrum by density matrix calculations in order to extract the values of the ¹J(⁵⁹Co-⁵⁹Co) coupling constants. The comparison between experimental and theoretical 2D NMR spectra gives spin-couplings constants of several hundreds Hertz for this cluster. Copyright © 2010 Elsevier Inc. All rights reserved.
Two-dimensional x-ray diffraction
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
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......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...
Mobility anisotropy of two-dimensional semiconductors
Lang, Haifeng; Zhang, Shuqing; Liu, Zhirong
2016-12-01
The carrier mobility of anisotropic two-dimensional semiconductors under longitudinal acoustic phonon scattering was theoretically studied using deformation potential theory. Based on the Boltzmann equation with the relaxation time approximation, an analytic formula of intrinsic anisotropic mobility was derived, showing that the influence of effective mass on mobility anisotropy is larger than those of deformation potential constant or elastic modulus. Parameters were collected for various anisotropic two-dimensional materials (black phosphorus, Hittorf's phosphorus, BC2N , MXene, TiS3, and GeCH3) to calculate their mobility anisotropy. It was revealed that the anisotropic ratio is overestimated by the previously described method.
Towards two-dimensional search engines
Ermann, Leonardo; Chepelianskii, Alexei D.; Shepelyansky, Dima L.
2011-01-01
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 that paves the way for development of two-dimensional search engines of new type. Statistical properties of inf...
Institute of Scientific and Technical Information of China (English)
宋小源; 刘杰; 郑春苗
2012-01-01
Dye tracer has been widely used in sandbox experiments of solute transport.This study uses image analysis to determine the concentration of dye tracer in porous media.By establishing a quantitative relationship between the concentration and the hue value of the dye tracer,the concentration distribution of the dye tracer can be quickly obtained.The image analysis provides a cost-effective and high-resolution method to quantify the solute concentration distribution in two-dimensional sandbox experiment for groundwater solute transport studies.Because the range of image hue values is limited,the image analysis method can only be applied to a certain range of solute concentration.%有色示踪剂在砂箱溶质运移实验中有着广泛的应用,因此,本文介绍了一种通过对数字图像进行分析以确定多孔介质中有色示踪剂浓度分布的方法.在实验过程中,通过建立有色示踪剂浓度与图像颜色要素之间的定量关系,从而能够利用数字图像迅速确定某一时刻砂箱内部的示踪剂浓度分布.结果发现,与传统定点采样方法相比,图像分析法可以达到更高的空间和时间分辨率,从而观察到有可能被忽视的重要溶质运移过程,能够为地下水溶质运移实验研究提供了一种经济实用和高空间分辨率的数据采集手段.但由于色彩空间变化范围的限制,图像分析法只能在一定溶质浓度范围内适用.
Piezoelectricity in Two-Dimensional Materials
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.
Kronecker Product of Two-dimensional Arrays
Institute of Scientific and Technical Information of China (English)
Lei Hu
2006-01-01
Kronecker sequences constructed from short sequences are good sequences for spread spectrum communication systems. In this paper we study a similar problem for two-dimensional arrays, and we determine the linear complexity of the Kronecker product of two arrays. Our result shows that similar good property on linear complexity holds for Kronecker product of arrays.
Two-Dimensional Toda-Heisenberg Lattice
Directory of Open Access Journals (Sweden)
Vadim E. Vekslerchik
2013-06-01
Full Text Available We consider a nonlinear model that is a combination of the anisotropic two-dimensional classical Heisenberg and Toda-like lattices. In the framework of the Hirota direct approach, we present the field equations of this model as a bilinear system, which is closely related to the Ablowitz-Ladik hierarchy, and derive its N-soliton solutions.
A novel two dimensional particle velocity sensor
Pjetri, Olti; Wiegerink, Remco J.; Lammerink, Theo S.; Krijnen, Gijs J.
2013-01-01
In this paper we present a two wire, two-dimensional particle velocity sensor. The miniature sensor of size 1.0x2.5x0.525 mm, consisting of only two crossed wires, shows excellent directional sensitivity in both directions, thus requiring no directivity calibration, and is relatively easy to fabrica
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.
Two-dimensional magma-repository interactions
Bokhove, O.
2001-01-01
Two-dimensional simulations of magma-repository interactions reveal that the three phases --a shock tube, shock reflection and amplification, and shock attenuation and decay phase-- in a one-dimensional flow tube model have a precursor. This newly identified phase ``zero'' consists of the impact of
Two-dimensional subwavelength plasmonic lattice solitons
Ye, F; Hu, B; Panoiu, N C
2010-01-01
We present a theoretical study of plasmonic lattice solitons (PLSs) formed in two-dimensional (2D) arrays of metallic nanowires embedded into a nonlinear medium with Kerr nonlinearity. We analyze two classes of 2D PLSs families, namely, fundamental and vortical PLSs in both focusing and defocusing media. Their existence, stability, and subwavelength spatial confinement are studied in detai
A two-dimensional Dirac fermion microscope
DEFF Research Database (Denmark)
Bøggild, Peter; Caridad, Jose; Stampfer, Christoph
2017-01-01
in the solid state. Here we provide a perspective view on how a two-dimensional (2D) Dirac fermion-based microscope can be realistically implemented and operated, using graphene as a vacuum chamber for ballistic electrons. We use semiclassical simulations to propose concrete architectures and design rules of 2...
Institute of Scientific and Technical Information of China (English)
陈昌国; 张明明; 刘渝萍
2011-01-01
采用二维扩散排序(DOSY)核磁共振法研究了萘普生与β-环糊精的相互作用,考察了不同包合因素对主客体自扩散系数及平衡常数的影响,并对萘普生与β-环糊精包合反应进行了热力学分析,以揭示萘普生与β-环糊精的包合反应机理.实验结果表明,温度、水含量、溶液pH值、离子强度等对客体萘普生的自扩散系数影响较大,但对主体环糊精自扩散系数的影响甚微；以上参数的增加均会使得平衡常数增大,有利于包合反应的进行,且在pH9.0时包合作用最强；热力学参数进一步表明萘普生与环糊精的包合反应为自发吸热的熵驱动过程,主要作用为疏水力.%The interaction between naproxen and cyclodextrin was studied by two-dimensional diffusion ordered ( 2D-DOSY) NMR spectroscopy. Influences of different factors on the self-diffusion coefficient and the equilibrium constant were investigated. The results showed that the increase of temperature , water content, pH and ionic strength had more influence on the self-diffusion coefficient of the guest than that of the host, which could increase the equilibrium constants. The inclusion interaction was the strongest in a solution of pH 9. 0. The results of thermodynamic analysis showed that the inclusion process was spontaneous and endothermic entropy-driven process, and the main active force was the hydrophobic force.
Students from an upper-division undergraduate spectroscopy class analyzed one- and two-dimensional 400 MHz NMR spectroscopic data from triclosan in CDCl3. Guided assignment of all proton and carbon signals was completed via 1D proton and carbon, nuclear Overhauser effect (nOe), distortionless enhanc...
Results from laboratory tests of the two-dimensional Time-Encoded Imaging System.
Energy Technology Data Exchange (ETDEWEB)
Marleau, Peter; Brennan, James S.; Brubaker, Erik; Gerling, Mark D; Le Galloudec, Nathalie Joelle
2014-09-01
A series of laboratory experiments were undertaken to demonstrate the feasibility of two dimensional time-encoded imaging. A prototype two-dimensional time encoded imaging system was designed and constructed. Results from imaging measurements of single and multiple point sources as well as extended source distributions are presented. Time encoded imaging has proven to be a simple method for achieving high resolution two-dimensional imaging with potential to be used in future arms control and treaty verification applications.
Ishima, Rieko
2015-09-01
Abundant solvent nuclear spins, such as water protons in aqueous solution, cause radiation damping in NMR experiments. It is important to know how the effect of radiation damping appears in high-resolution protein NMR because macromolecular studies always require very high magnetic field strengths with a highly sensitive NMR probe that can easily cause radiation damping. Here, we show the behavior of water magnetization after a pulsed-field gradient (PFG) using nutation experiments at 900 MHz with a cryogenic probe: when water magnetization is located in the upper hemisphere (having +Z component, parallel to the external magnetic field), dephasing of the magnetization by a PFG effectively suppresses residual water magnetization in the transverse plane. In contrast, when magnetization is located in the lower hemisphere (having -Z component), the small residual transverse component remaining after a PFG is still sufficient to induce radiation damping. Based on this observation, we designed (1)H-(15)N HSQC experiments in which water magnetization is maintained in the upper hemisphere, but not necessarily along Z, and compared them with the conventional experiments, in which water magnetization is inverted during the t1 period. The result demonstrates moderate gain of signal-to-noise ratio, 0-28%. Designing the experiments such that water magnetization is maintained in the upper hemisphere allows shorter pulses to be used compared to the complete water flip-back and, thereby, is useful as a building block of protein NMR pulse programs in solution.
Ultrafast two dimensional infrared chemical exchange spectroscopy
Fayer, Michael
2011-03-01
The method of ultrafast two dimensional infrared (2D IR) vibrational echo spectroscopy is described. Three ultrashort IR pulses tuned to the frequencies of the vibrational transitions of interest are directed into the sample. The interaction of these pulses with the molecular vibrational oscillators produces a polarization that gives rise to a fourth pulse, the vibrational echo. The vibrational echo pulse is combined with another pulse, the local oscillator, for heterodyne detection of the signal. For fixed time between the second and third pulses, the waiting time, the first pulse is scanned. Two Fourier transforms of the data yield a 2D IR spectrum. The waiting time is increased, and another spectrum is obtained. The change in the 2D IR spectra with increased waiting time provides information on the time evolution of the structure of the molecular system under observation. In a 2D IR chemical exchange experiment, two species A and B, are undergoing chemical exchange. A's are turning into B's, and B's are turning into A's, but the overall concentrations of the species are not changing. The kinetics of the chemical exchange on the ground electronic state under thermal equilibrium conditions can be obtained 2D IR spectroscopy. A vibration that has a different frequency for the two species is monitored. At very short time, there will be two peaks on the diagonal of the 2D IR spectrum, one for A and one for B. As the waiting time is increased, chemical exchange causes off-diagonal peaks to grow in. The time dependence of the growth of these off-diagonal peaks gives the chemical exchange rate. The method is applied to organic solute-solvent complex formation, orientational isomerization about a carbon-carbon single bond, migration of a hydrogen bond from one position on a molecule to another, protein structural substate interconversion, and water hydrogen bond switching between ions and water molecules. This work was supported by the Air Force Office of Scientific
Acoustic Bloch oscillations in a two-dimensional phononic crystal.
He, Zhaojian; Peng, Shasha; Cai, Feiyan; Ke, Manzhu; Liu, Zhengyou
2007-11-01
We report the observation of acoustic Bloch oscillations at megahertz frequency in a two-dimensional phononic crystal. By creating periodically arrayed cavities with a decreasing gradient in width along one direction in the phononic crystal, acoustic Wannier-Stark ladders are created in the frequency domain. The oscillatory motion of an incident Gaussian pulse inside the sample is demonstrated by both simulation and experiment.
Two-Dimensional Electron-Spin Resonance
Freed, Jack H.
2000-03-01
The extension of the concepts of 2D-NMR to ESR posed significant technological challenges, especially for liquids. ESR relaxation times are very short, as low as 10-15 ns. for T_2's. Spectral bandwidths are 100-250 MHz for nitroxide spin labels. Adequate coverage is obtained with 3-5 ns. π/2 (9-17 GHz) microwave pulses into a small low Q resonator. Dead-times are currently 25-30 ns. Additional requirements are rapid phase shifting for phase cycling, nsec. data acquisition, and fast repetition rates (10-100 kHz). 2D-ELDOR (electron-electron double resonance), which is a 3-pulse 2D-exchange experiment, takes about 30 minutes with just 0.5 nanomole spin-probe in solution (SNR 200). 2D-ELDOR is very useful in studies of molecular dynamics and local structure in complex fluids. For such media, the slow rotational dynamics requires a theory based upon the stochastic Liouville equation which enables quantitative interpretation of 2D-ELDOR experiments. In studies of spin-probes in a liquid crystal new insights could be obtained on the dynamic structure in different phases. One obtains, in addition to ordering and reorientation rates of the probes, details of the local dynamic cage: its orienting potential and (slow) relaxation rate. 2D-ELDOR overcomes the loss of resolution resulting from microscopically ordered but macroscopically disordered complex fluids. This is illustrated by studies of the dynamic structure of lipid membrane vesicles, and the effects of adding a peptide. The short dead times enable the observation of both the bulk lipids and the more immobilized lipids that coat (or are trapped) by the (aggregates of) peptides. Also, new developments of multi-quantum (2D) FT-ESR from nitroxide spin labels interacting by dipolar interactions show considerable promise in measuring distances of ca. 15-70A in macromolecules.
Electronics based on two-dimensional materials.
Fiori, Gianluca; Bonaccorso, Francesco; Iannaccone, Giuseppe; Palacios, Tomás; Neumaier, Daniel; Seabaugh, Alan; Banerjee, Sanjay K; Colombo, Luigi
2014-10-01
The compelling demand for higher performance and lower power consumption in electronic systems is the main driving force of the electronics industry's quest for devices and/or architectures based on new materials. Here, we provide a review of electronic devices based on two-dimensional materials, outlining their potential as a technological option beyond scaled complementary metal-oxide-semiconductor switches. We focus on the performance limits and advantages of these materials and associated technologies, when exploited for both digital and analog applications, focusing on the main figures of merit needed to meet industry requirements. We also discuss the use of two-dimensional materials as an enabling factor for flexible electronics and provide our perspectives on future developments.
Two-dimensional ranking of Wikipedia articles
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.
Towards two-dimensional search engines
Ermann, Leonardo; Shepelyansky, Dima L
2011-01-01
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 that paves the way for development of two-dimensional search engines of new type. Information flow properties on PageRank-CheiRank plane are analyzed for networks of British, French and Italian Universities, Wikipedia, Linux Kernel, gene regulation and other networks. Methods of spam links control are also analyzed.
Toward two-dimensional search engines
Ermann, L.; Chepelianskii, A. D.; Shepelyansky, D. L.
2012-07-01
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.
A two-dimensional Dirac fermion microscope
Bøggild, Peter; Caridad, José M.; Stampfer, Christoph; Calogero, Gaetano; Papior, Nick Rübner; Brandbyge, Mads
2017-06-01
The electron microscope has been a powerful, highly versatile workhorse in the fields of material and surface science, micro and nanotechnology, biology and geology, for nearly 80 years. The advent of two-dimensional materials opens new possibilities for realizing an analogy to electron microscopy in the solid state. Here we provide a perspective view on how a two-dimensional (2D) Dirac fermion-based microscope can be realistically implemented and operated, using graphene as a vacuum chamber for ballistic electrons. We use semiclassical simulations to propose concrete architectures and design rules of 2D electron guns, deflectors, tunable lenses and various detectors. The simulations show how simple objects can be imaged with well-controlled and collimated in-plane beams consisting of relativistic charge carriers. Finally, we discuss the potential of such microscopes for investigating edges, terminations and defects, as well as interfaces, including external nanoscale structures such as adsorbed molecules, nanoparticles or quantum dots.
A two-dimensional Dirac fermion microscope.
Bøggild, Peter; Caridad, José M; Stampfer, Christoph; Calogero, Gaetano; Papior, Nick Rübner; Brandbyge, Mads
2017-06-09
The electron microscope has been a powerful, highly versatile workhorse in the fields of material and surface science, micro and nanotechnology, biology and geology, for nearly 80 years. The advent of two-dimensional materials opens new possibilities for realizing an analogy to electron microscopy in the solid state. Here we provide a perspective view on how a two-dimensional (2D) Dirac fermion-based microscope can be realistically implemented and operated, using graphene as a vacuum chamber for ballistic electrons. We use semiclassical simulations to propose concrete architectures and design rules of 2D electron guns, deflectors, tunable lenses and various detectors. The simulations show how simple objects can be imaged with well-controlled and collimated in-plane beams consisting of relativistic charge carriers. Finally, we discuss the potential of such microscopes for investigating edges, terminations and defects, as well as interfaces, including external nanoscale structures such as adsorbed molecules, nanoparticles or quantum dots.
Morton, Janine G.; Joe, Candice L.; Stolla, Massiel C.; Koshland, Sophia R.; Londergan, Casey H.; Schofield, Mark H.
2015-01-01
Variable temperature NMR spectroscopy is used to determine the ?H° and ?S° of hydrogen bond formation in a simple diamide. In this two- or three-day experiment, students synthesize N,N'-dimethylmalonamide, dimethylsuccinamide, dimethylglutaramide, or dimethyladipamide from methylamine and the corresponding diester (typically in 50% recrystallized…
Morton, Janine G.; Joe, Candice L.; Stolla, Massiel C.; Koshland, Sophia R.; Londergan, Casey H.; Schofield, Mark H.
2015-01-01
Variable temperature NMR spectroscopy is used to determine the ?H° and ?S° of hydrogen bond formation in a simple diamide. In this two- or three-day experiment, students synthesize N,N'-dimethylmalonamide, dimethylsuccinamide, dimethylglutaramide, or dimethyladipamide from methylamine and the corresponding diester (typically in 50% recrystallized…
Allnér, Olof; Foloppe, Nicolas; Nilsson, Lennart
2015-01-22
Molecular dynamics simulations of E. coli glutaredoxin1 in water have been performed to relate the dynamical parameters and entropy obtained in NMR relaxation experiments, with results extracted from simulated trajectory data. NMR relaxation is the most widely used experimental method to obtain data on dynamics of proteins, but it is limited to relatively short timescales and to motions of backbone amides or in some cases (13)C-H vectors. By relating the experimental data to the all-atom picture obtained in molecular dynamics simulations, valuable insights on the interpretation of the experiment can be gained. We have estimated the internal dynamics and their timescales by calculating the generalized order parameters (O) for different time windows. We then calculate the quasiharmonic entropy (S) and compare it to the entropy calculated from the NMR-derived generalized order parameter of the amide vectors. Special emphasis is put on characterizing dynamics that are not expressed through the motions of the amide group. The NMR and MD methods suffer from complementary limitations, with NMR being restricted to local vectors and dynamics on a timescale determined by the rotational diffusion of the solute, while in simulations, it may be difficult to obtain sufficient sampling to ensure convergence of the results. We also evaluate the amount of sampling obtained with molecular dynamics simulations and how it is affected by the length of individual simulations, by clustering of the sampled conformations. We find that two structural turns act as hinges, allowing the α helix between them to undergo large, long timescale motions that cannot be detected in the time window of the NMR dipolar relaxation experiments. We also show that the entropy obtained from the amide vector does not account for correlated motions of adjacent residues. Finally, we show that the sampling in a total of 100 ns molecular dynamics simulation can be increased by around 50%, by dividing the
Two-Dimensional Scheduling: A Review
Directory of Open Access Journals (Sweden)
Zhuolei Xiao
2013-07-01
Full Text Available In this study, we present a literature review, classification schemes and analysis of methodology for scheduling problems on Batch Processing machine (BP with both processing time and job size constraints which is also regarded as Two-Dimensional (TD scheduling. Special attention is given to scheduling problems with non-identical job sizes and processing times, with details of the basic algorithms and other significant results.
Two dimensional fermions in four dimensional YM
Narayanan, R
2009-01-01
Dirac fermions in the fundamental representation of SU(N) live on a two dimensional torus flatly embedded in $R^4$. They interact with a four dimensional SU(N) Yang Mills vector potential preserving a global chiral symmetry at finite $N$. As the size of the torus in units of $\\frac{1}{\\Lambda_{SU(N)}}$ is varied from small to large, the chiral symmetry gets spontaneously broken in the infinite $N$ limit.
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....
String breaking in two-dimensional QCD
Hornbostel, K J
1999-01-01
I present results of a numerical calculation of the effects of light quark-antiquark pairs on the linear heavy-quark potential in light-cone quantized two-dimensional QCD. I extract the potential from the Q-Qbar component of the ground-state wavefunction, and observe string breaking at the heavy-light meson pair threshold. I briefly comment on the states responsible for the breaking.
Two-dimensional supramolecular electron spin arrays.
Wäckerlin, Christian; Nowakowski, Jan; Liu, Shi-Xia; Jaggi, Michael; Siewert, Dorota; Girovsky, Jan; Shchyrba, Aneliia; Hählen, Tatjana; Kleibert, Armin; Oppeneer, Peter M; Nolting, Frithjof; Decurtins, Silvio; Jung, Thomas A; Ballav, Nirmalya
2013-05-07
A bottom-up approach is introduced to fabricate two-dimensional self-assembled layers of molecular spin-systems containing Mn and Fe ions arranged in a chessboard lattice. We demonstrate that the Mn and Fe spin states can be reversibly operated by their selective response to coordination/decoordination of volatile ligands like ammonia (NH3). Copyright © 2013 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.
Two dimensional echocardiographic detection of intraatrial masses.
DePace, N L; Soulen, R L; Kotler, M N; Mintz, G S
1981-11-01
With two dimensional echocardiography, a left atrial mass was detected in 19 patients. Of these, 10 patients with rheumatic mitral stenosis had a left atrial thrombus. The distinctive two dimensional echocardiographic features of left atrial thrombus included a mass of irregular nonmobile laminated echos within an enlarged atrial cavity, usually with a broad base of attachment to the posterior left atrial wall. Seven patients had a left atrial myxoma. Usually, the myxoma appeared as a mottled ovoid, sharply demarcated mobile mass attached to the interatrial septum. One patient had a right atrial angiosarcoma that appeared as a nonmobile mass extending from the inferior vena caval-right atrial junction into the right atrial cavity. One patient had a left atrial leiomyosarcoma producing a highly mobile mass attached to the lateral wall of the left atrium. M mode echocardiography detected six of the seven myxomas, one thrombus and neither of the other tumors. Thus, two dimensional echocardiography appears to be the technique of choice in the detection, localization and differentiation of intraatrial masses.
Topological states in two-dimensional hexagon lattice bilayers
Zhang, Ming-Ming; Xu, Lei; Zhang, Jun
2016-10-01
We investigate the topological states of the two-dimensional hexagon lattice bilayer. The system exhibits a quantum valley Hall (QVH) state when the interlayer interaction t⊥ is smaller than the nearest neighbor hopping energy t, and then translates to a trivial band insulator state when t⊥ / t > 1. Interestingly, the system is found to be a single-edge QVH state with t⊥ / t = 1. The topological phase transition also can be presented via changing bias voltage and sublattice potential in the system. The QVH states have different edge modes carrying valley current but no net charge current. The bias voltage and external electric field can be tuned easily in experiments, so the present results will provide potential application in valleytronics based on the two-dimensional hexagon lattice.
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.
Weakly disordered two-dimensional Frenkel excitons
Boukahil, A.; Zettili, Nouredine
2004-03-01
We report the results of studies of the optical properties of weakly disordered two- dimensional Frenkel excitons in the Coherent Potential Approximation (CPA). An approximate complex Green's function for a square lattice with nearest neighbor interactions is used in the self-consistent equation to determine the coherent potential. It is shown that the Density of States is very much affected by the logarithmic singularities in the Green's function. Our CPA results are in excellent agreement with previous investigations by Schreiber and Toyozawa using the Monte Carlo simulation.
Two-dimensional photonic crystal surfactant detection.
Zhang, Jian-Tao; Smith, Natasha; Asher, Sanford A
2012-08-07
We developed a novel two-dimensional (2-D) crystalline colloidal array photonic crystal sensing material for the visual detection of amphiphilic molecules in water. A close-packed polystyrene 2-D array monolayer was embedded in a poly(N-isopropylacrylamide) (PNIPAAm)-based hydrogel film. These 2-D photonic crystals placed on a mirror show intense diffraction that enables them to be used for visual determination of analytes. Binding of surfactant molecules attaches ions to the sensor that swells the PNIPAAm-based hydrogel. The resulting increase in particle spacing red shifts the 2-D diffracted light. Incorporation of more hydrophobic monomers increases the sensitivity to surfactants.
Theory of two-dimensional transformations
Kanayama, Yutaka J.; Krahn, Gary W.
1998-01-01
The article of record may be found at http://dx.doi.org/10.1109/70.720359 Robotics and Automation, IEEE Transactions on This paper proposes a new "heterogeneous" two-dimensional (2D) transformation group ___ to solve motion analysis/planning problems in robotics. In this theory, we use a 3×1 matrix to represent a transformation as opposed to a 3×3 matrix in the homogeneous formulation. First, this theory is as capable as the homogeneous theory, Because of the minimal size, its implement...
Two-dimensional ranking of Wikipedia articles
Zhirov, A O; Shepelyansky, D L
2010-01-01
The Library of Babel, described by Jorge Luis Borges, stores an enormous amount of information. The Library exists {\\it 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. 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.
Mobility anisotropy of two-dimensional semiconductors
Lang, Haifeng; Liu, Zhirong
2016-01-01
The carrier mobility of anisotropic two-dimensional (2D) semiconductors under longitudinal acoustic (LA) phonon scattering was theoretically studied with the deformation potential theory. Based on Boltzmann equation with relaxation time approximation, an analytic formula of intrinsic anisotropic mobility was deduced, which shows that the influence of effective mass to the mobility anisotropy is larger than that of deformation potential constant and elastic modulus. Parameters were collected for various anisotropic 2D materials (black phosphorus, Hittorf's phosphorus, BC$_2$N, MXene, TiS$_3$, GeCH$_3$) to calculate their mobility anisotropy. It was revealed that the anisotropic ratio was overestimated in the past.
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......, the Dixmier trace induces a multiple of the Lebesgue integral but the growth of the number of eigenvalues is different from the one found for the standard differential operator on the unit interval....
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....
Dynamics of film. [two dimensional continua theory
Zak, M.
1979-01-01
The general theory of films as two-dimensional continua are elaborated upon. As physical realizations of such a model this paper examines: inextensible films, elastic films, and nets. The suggested dynamic equations have enabled us to find out the characteristic speeds of wave propagation of the invariants of external and internal geometry and formulate the criteria of instability of their shape. Also included herein is a detailed account of the equation describing the film motions beyond the limits of the shape stability accompanied by the formation of wrinkles. The theory is illustrated by examples.
Strongly correlated two-dimensional plasma explored from entropy measurements.
Kuntsevich, A Y; Tupikov, Y V; Pudalov, V M; Burmistrov, I S
2015-06-23
Charged plasma and Fermi liquid are two distinct states of electronic matter intrinsic to dilute two-dimensional electron systems at elevated and low temperatures, respectively. Probing their thermodynamics represents challenge because of lack of an adequate technique. Here, we report a thermodynamic method to measure the entropy per electron in gated structures. Our technique appears to be three orders of magnitude superior in sensitivity to a.c. calorimetry, allowing entropy measurements with only 10(8) electrons. This enables us to investigate the correlated plasma regime, previously inaccessible experimentally in two-dimensional electron systems in semiconductors. In experiments with clean two-dimensional electron system in silicon-based structures, we traced entropy evolution from the plasma to Fermi liquid regime by varying electron density. We reveal that the correlated plasma regime can be mapped onto the ordinary non-degenerate Fermi gas with an interaction-enhanced temperature-dependent effective mass. Our method opens up new horizons in studies of low-dimensional electron systems.
Experimental realization of two-dimensional boron sheets.
Feng, Baojie; Zhang, Jin; Zhong, Qing; Li, Wenbin; Li, Shuai; Li, Hui; Cheng, Peng; Meng, Sheng; Chen, Lan; Wu, Kehui
2016-06-01
A variety of two-dimensional materials have been reported in recent years, yet single-element systems such as graphene and black phosphorus have remained rare. Boron analogues have been predicted, as boron atoms possess a short covalent radius and the flexibility to adopt sp(2) hybridization, features that favour the formation of two-dimensional allotropes, and one example of such a borophene material has been reported recently. Here, we present a parallel experimental work showing that two-dimensional boron sheets can be grown epitaxially on a Ag(111) substrate. Two types of boron sheet, a β12 sheet and a χ3 sheet, both exhibiting a triangular lattice but with different arrangements of periodic holes, are observed by scanning tunnelling microscopy. Density functional theory simulations agree well with experiments, and indicate that both sheets are planar without obvious vertical undulations. The boron sheets are quite inert to oxidization and interact only weakly with their substrate. We envisage that such boron sheets may find applications in electronic devices in the future.
Institute of Scientific and Technical Information of China (English)
杨延强; 易维明; 李志合; 柏雪源; 李永军
2012-01-01
In the cold PIV (particle image velocimetry) system of the laminar entrained flow reactor, the relative position between the camera and the measuring tube was an important condition to ensure accurate test data. To make the PIV operation more convenient, accurate, and fast in the test, two-dimensional PIV automatic control system was designed. And the reliability of the system was tested in the cold simulation equipment of laminar flow furnace, compared with no using two-dimensional PIV automatic control system, the results showed that in different sections of the measuring tube, the particle speed of the axial center achieves a smooth transition, and eliminates the jump change; when collection distance is 350mm and main air flow rate is 1. 5 mVh, the relative error of particle residence time is 9. 218% ; and the operation saves time and effort in the test process. These suggested that the two-dimensional PIV automatic control system could satisfy the cold test of the laminar entrained flow reactor needs, achieve uniform and continuous test, reduce human error and improve the accuracy of test data.%在层流炉冷态粒子图像测速( PIV)系统中,相机与测量管的相对位置是保证试验数据精确的重要条件.为使试验过程中整个PIV系统操作起来更加方便、准确、快捷,设计了二维PIV自动控制系统,并在层流炉冷态模拟装置上对该系统的可靠性进行了试验验证.与没有使用二维PIV自动控制系统之前的试验结果相比:各测量段颗粒的轴向中心速度相互之间的衔接实现了平滑过渡,消除了跳跃性变化；收集距离为350 mm,主气流流量为1.5 m3/h时,层流炉内颗粒停留时间的相对误差为9.218％.说明该二维PIV自动控制系统能够满足层流炉冷态试验需要,实现了均匀、连续拍摄,减少了人为误差,提高了试验数据的准确性.
Two-dimensional gauge theoretic supergravities
Cangemi, D.; Leblanc, M.
1994-05-01
We investigate two-dimensional supergravity theories, which can be built from a topological and gauge invariant action defined on an ordinary surface. One is the N = 1 supersymmetric extension of the Jackiw-Teitelboim model presented by Chamseddine in a superspace formalism. We complement the proof of Montano, Aoaki and Sonnenschein that this extension is topological and gauge invariant, based on the graded de Sitter algebra. Not only do the equations of motion correspond to the supergravity ones and do gauge transformations encompass local supersymmetries, but we also identify the ∫-theory with the superfield formalism action written by Chamseddine. Next, we show that the N = 1 supersymmetric extension of string-inspired two-dimensional dilaton gravity put forward by Park and Strominger cannot be written as a ∫-theory. As an alternative, we propose two topological and gauge theories that are based on a graded extension of the extended Poincaré algebra and satisfy a vanishing-curvature condition. Both models are supersymmetric extensions of the string-inspired dilaton gravity.
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.
Two-dimensional shape memory graphene oxide
Chang, Zhenyue; Deng, Junkai; Chandrakumara, Ganaka G.; Yan, Wenyi; Liu, Jefferson Zhe
2016-06-01
Driven by the increasing demand for micro-/nano-technologies, stimuli-responsive shape memory materials at nanoscale have recently attracted great research interests. However, by reducing the size of conventional shape memory materials down to approximately nanometre range, the shape memory effect diminishes. Here, using density functional theory calculations, we report the discovery of a shape memory effect in a two-dimensional atomically thin graphene oxide crystal with ordered epoxy groups, namely C8O. A maximum recoverable strain of 14.5% is achieved as a result of reversible phase transition between two intrinsically stable phases. Our calculations conclude co-existence of the two stable phases in a coherent crystal lattice, giving rise to the possibility of constructing multiple temporary shapes in a single material, thus, enabling highly desirable programmability. With an atomic thickness, excellent shape memory mechanical properties and electric field stimulus, the discovery of a two-dimensional shape memory graphene oxide opens a path for the development of exceptional micro-/nano-electromechanical devices.
Energy Technology Data Exchange (ETDEWEB)
Ahmadi, Elaheh; Mishra, Umesh K. [Electrical and Computer Engineering Department, University of California, Santa Barbara, California 93106 (United States); Chalabi, Hamidreza [Geballe Laboratory for Advanced Materials, Stanford University, Stanford, California 94305 (United States); Kaun, Stephen W.; Shivaraman, Ravi; Speck, James S. [Materials Department, University of California, Santa Barbara, California 93106 (United States)
2014-10-07
The influence of alloy clustering on fluctuations in the ground state energy of the two-dimensional electron gas (2DEG) in AlGaN/GaN and InAlN/GaN heterostructures is studied. We show that because of these fluctuations, alloy clustering degrades the mobility even when the 2DEG wavefunction does not penetrate the alloy barrier unlike alloy disorder scattering. A comparison between the results obtained for AlGaN/GaN and InAlN/GaN heterostructures shows that alloy clustering limits the 2DEG mobility to a greater degree in InAlN/GaN heterostructures. Our study also reveals that the inclusion of an AlN interlayer increases the limiting mobility from alloy clustering. Moreover, Atom probe tomography is used to demonstrate the random nature of the fluctuations in the alloy composition.
Energy Technology Data Exchange (ETDEWEB)
Aoki, Dai [Institute for Materials Research, Tohoku University, Oarai, Ibaraki 311-1313 (Japan); Yamagami, Hiroshi [Department of Physics, Faculty of Science, Kyoto Sangyo University, Kyoto 603-8555 (Japan); Homma, Yoshiya [Institute for Materials Research, Tohoku University, Oarai, Ibaraki 311-1313 (Japan); Shiokawa, Yoshinobu [Institute for Materials Research, Tohoku University, Oarai, Ibaraki 311-1313 (Japan); Yamamoto, Etsuji [Advanced Science Research Center, Japan Atomic Energy Research Institute, Tokai, Ibaraki 319-1195 (Japan); Nakamura, Akio [Advanced Science Research Center, Japan Atomic Energy Research Institute, Tokai, Ibaraki 319-1195 (Japan); Haga, Yoshinori [Advanced Science Research Center, Japan Atomic Energy Research Institute, Tokai, Ibaraki 319-1195 (Japan); Settai, Rikio [Graduate School of Science, Osaka University, Toyonaka, Osaka 560-0043 (Japan); Onuki, Yoshichika [Advanced Science Research Center, Japan Atomic Energy Research Institute, Tokai, Ibaraki 319-1195 (Japan)
2005-05-04
We succeeded in growing a high-quality single crystal of NpRhGa{sub 5} by the Ga-flux method and observed the de Haas-van Alphen oscillation in the antiferromagnetic state. Four kinds of nearly cylindrical Fermi surfaces, which correspond to main Fermi surfaces, were clearly detected. These quasi-two-dimensional Fermi surfaces are formed in the flat antiferromagnetic Brillouin zone and are well explained on the basis of spin- and orbital-polarized LAPW energy band calculations. The cyclotron masses are moderately enhanced, ranging from 8.1 to 11.7 m{sub 0}, which are approximately four times larger than the corresponding band masses. This is the first case where the 5f-itinerant band model is applicable to a neptunium magnetic compound. (letter to the editor)
Institute of Scientific and Technical Information of China (English)
XU Quan; TIAN Qiang
2007-01-01
Two-dimensional compact-like discrete breathers in discrete two-dimensional monatomic square lattices are investigated by discussing a generafized discrete two-dimensional monatomic model.It is proven that the twodimensional compact-like discrete breathers exist not only in two-dimensional soft Ф4 potentials but also in hard two-dimensional Ф4 potentials and pure two-dimensional K4 lattices.The measurements of the two-dimensional compact-like discrete breather cores in soft and hard two-dimensional Ф4 potential are determined by coupling parameter K4,while those in pure two-dimensional K4 lattices have no coupling with parameter K4.The stabilities of the two-dimensional compact-like discrete breathers correlate closely to the coupling parameter K4 and the boundary condition of lattices.
Institute of Scientific and Technical Information of China (English)
杨晓冬; 缪希茄
2002-01-01
Grover's quantum searching algorithm is most widely studied in the current quantum computation research, and has been implemented experimentally by NMR (Nuclear Magnetic Resonance) technique. In this article, we design arbitrary N-qubit NMR pulses program of Grover's algorithm based on the multiple-quantum operator algebra theory and demonstrate 2-qubit pulses program experimentally. The result also proves the validity of the multiple-quantum operator algebra theory.
Curtin, Maria A.; Ingalls, Laura R.; Campbell, Andrew; James-Pederson, Magdalena
2008-01-01
This article describes a novel experiment focused on metal ion hydrolysis and the equilibria related to metal ions in aqueous systems. Using [superscript 27]Al NMR, the students become familiar with NMR spectroscopy as a quantitative analytical tool for the determination of aluminum by preparing a standard calibration curve using standard aluminum…
Director tumbling of nematic wormlike micelles under shear: time-resolved rheo-NMR experiments
Energy Technology Data Exchange (ETDEWEB)
Sinyavsky, N. [Dept. of Physics, Baltic State Academy, Kaliningrad (Russian Federation); Quijada-Garrido, I. [Inst. de Ciencia y Tecnologia de Polimeros, Consejo Superior de Investigaciones Cientificas, Madrid (Spain); Schmidt, C. [Dept. Chemie, Univ. Paderborn (Germany)
2007-07-01
Nematic liquid crystals show a complex flow behavior due to the coupling between orientation and flow. Some materials show a stable director orientation in steady shear flow (flow aligning), while for others no stable director orientation exists (tumbling). Director tumbling gives rise to oscillations of shear and normal stresses in rheological experiments and can be detected by optical methods, for example by microscopy or birefringence measurements. We have used deuterium NMR spectroscopy to observe shear-induced director orientations. In the lyotropic system cetylpyridinium chloride/hexanol/brine, which forms a nematic phase of wormlike micelles, time-resolved observations of the director orientation by means of deuterium NMR spectroscopy of D{sub 2}O have been possible for the first time. The time-dependence of the director orientations in both shear start-up and flow-reversal experiments will be presented. (orig.)
NMR artifacts caused by decoupling of multiple-spin coherences: improved SLAP experiment.
Blechta, Vratislav; Schraml, Jan
2015-06-01
Contrary to common expectations, multiple-spin coherences containing products of proton and heteronucleus operators (e.g. Hu Cx , u = x, y, z) can produce not only sidebands but also noticeable centerband NMR signals of the heteronucleus during acquisition under 1H broadband decoupling. Such centerband signals of low abundant heteronuclei can be sources of relatively strong unexpected artifacts in NMR experiments that aim to detect very weak signals from much less-abundant isotopomers, e.g. 13C-13C ones. These findings lead to a new design of Sign Labeled Polarization Transfer (SLAP) pulse sequence (MSS-SLAP) with improved suppression of centerband peaks that are because of singly, e.g. 13C, labeled molecules (parent peaks). The MSS-SLAP experiment and its MSS-BIRD-SLAP variant are compared with a few older SLAP versions.
Hypothesis: the sound of the individual metabolic phenotype? Acoustic detection of NMR experiments.
Cacciatore, Stefano; Saccenti, Edoardo; Piccioli, Mario
2015-03-01
We present here an innovative hypothesis and report preliminary evidence that the sound of NMR signals could provide an alternative to the current representation of the individual metabolic fingerprint and supply equally significant information. The NMR spectra of the urine samples provided by four healthy donors were converted into audio signals that were analyzed in two audio experiments by listeners with both musical and non-musical training. The listeners were first asked to cluster the audio signals of two donors on the basis of perceived similarity and then to classify unknown samples after having listened to a set of reference signals. In the clustering experiment, the probability of obtaining the same results by pure chance was 7.04% and 0.05% for non-musicians and musicians, respectively. In the classification experiment, musicians scored 84% accuracy which compared favorably with the 100% accuracy attained by sophisticated pattern recognition methods. The results were further validated and confirmed by analyzing the NMR metabolic profiles belonging to two other different donors. These findings support our hypothesis that the uniqueness of the metabolic phenotype is preserved even when reproduced as audio signal and warrants further consideration and testing in larger study samples.
Manu, V. S.; Veglia, Gianluigi
2016-12-01
Identity operation in the form of π pulses is widely used in NMR spectroscopy. For an isolated single spin system, a sequence of even number of π pulses performs an identity operation, leaving the spin state essentially unaltered. For multi-spin systems, trains of π pulses with appropriate phases and time delays modulate the spin Hamiltonian to perform operations such as decoupling and recoupling. However, experimental imperfections often jeopardize the outcome, leading to severe losses in sensitivity. Here, we demonstrate that a newly designed Genetic Algorithm (GA) is able to optimize a train of π pulses, resulting in a robust identity operation. As proof-of-concept, we optimized the recoupling sequence in the transferred-echo double-resonance (TEDOR) pulse sequence, a key experiment in biological magic angle spinning (MAS) solid-state NMR for measuring multiple carbon-nitrogen distances. The GA modified TEDOR (GMO-TEDOR) experiment with improved recoupling efficiency results in a net gain of sensitivity up to 28% as tested on a uniformly 13C, 15N labeled microcrystalline ubiquitin sample. The robust identity operation achieved via GA paves the way for the optimization of several other pulse sequences used for both solid- and liquid-state NMR used for decoupling, recoupling, and relaxation experiments.
Optimal excitation of two dimensional Holmboe instabilities
Constantinou, Navid C
2010-01-01
Highly stratified shear layers are rendered unstable even at high stratifications by Holmboe instabilities when the density stratification is concentrated in a small region of the shear layer. These instabilities may cause mixing in highly stratified environments. However these instabilities occur in tongues for a limited range of parameters. We perform Generalized Stability analysis of the two dimensional perturbation dynamics of an inviscid Boussinesq stratified shear layer and show that Holmboe instabilities at high Richardson numbers can be excited by their adjoints at amplitudes that are orders of magnitude larger than by introducing initially the unstable mode itself. We also determine the optimal growth that obtains for parameters for which there is no instability. We find that there is potential for large transient growth regardless of whether the background flow is exponentially stable or not and that the characteristic structure of the Holmboe instability asymptotically emerges for parameter values ...
Phonon hydrodynamics in two-dimensional materials.
Cepellotti, Andrea; Fugallo, Giorgia; Paulatto, Lorenzo; Lazzeri, Michele; Mauri, Francesco; Marzari, Nicola
2015-03-06
The conduction of heat in two dimensions displays a wealth of fascinating phenomena of key relevance to the scientific understanding and technological applications of graphene and related materials. Here, we use density-functional perturbation theory and an exact, variational solution of the Boltzmann transport equation to study fully from first-principles phonon transport and heat conductivity in graphene, boron nitride, molybdenum disulphide and the functionalized derivatives graphane and fluorographene. In all these materials, and at variance with typical three-dimensional solids, normal processes keep dominating over Umklapp scattering well-above cryogenic conditions, extending to room temperature and more. As a result, novel regimes emerge, with Poiseuille and Ziman hydrodynamics, hitherto typically confined to ultra-low temperatures, characterizing transport at ordinary conditions. Most remarkably, several of these two-dimensional materials admit wave-like heat diffusion, with second sound present at room temperature and above in graphene, boron nitride and graphane.
Probabilistic Universality in two-dimensional Dynamics
Lyubich, Mikhail
2011-01-01
In this paper we continue to explore infinitely renormalizable H\\'enon maps with small Jacobian. It was shown in [CLM] that contrary to the one-dimensional intuition, the Cantor attractor of such a map is non-rigid and the conjugacy with the one-dimensional Cantor attractor is at most 1/2-H\\"older. Another formulation of this phenomenon is that the scaling structure of the H\\'enon Cantor attractor differs from its one-dimensional counterpart. However, in this paper we prove that the weight assigned by the canonical invariant measure to these bad spots tends to zero on microscopic scales. This phenomenon is called {\\it Probabilistic Universality}. It implies, in particular, that the Hausdorff dimension of the canonical measure is universal. In this way, universality and rigidity phenomena of one-dimensional dynamics assume a probabilistic nature in the two-dimensional world.
Two-dimensional position sensitive neutron detector
Indian Academy of Sciences (India)
A M Shaikh; S S Desai; A K Patra
2004-08-01
A two-dimensional position sensitive neutron detector has been developed. The detector is a 3He + Kr filled multiwire proportional counter with charge division position readout and has a sensitive area of 345 mm × 345 mm, pixel size 5 mm × 5 mm, active depth 25 mm and is designed for efficiency of 70% for 4 Å neutrons. The detector is tested with 0.5 bar 3He + 1.5 bar krypton gas mixture in active chamber and 2 bar 4He in compensating chamber. The pulse height spectrum recorded at an anode potential of 2000 V shows energy resolution of ∼ 25% for the 764 keV peak. A spatial resolution of 8 mm × 6 mm is achieved. The detector is suitable for SANS studies in the range of 0.02–0.25 Å-1.
Two-dimensional heterostructures for energy storage
Pomerantseva, Ekaterina; Gogotsi, Yury
2017-07-01
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. We also consider electrode fabrication approaches and finally outline future steps to create 2D heterostructured electrodes that could greatly expand current energy storage technologies.
Rationally synthesized two-dimensional polymers.
Colson, John W; Dichtel, William R
2013-06-01
Synthetic polymers exhibit diverse and useful properties and influence most aspects of modern life. Many polymerization methods provide linear or branched macromolecules, frequently with outstanding functional-group tolerance and molecular weight control. In contrast, extending polymerization strategies to two-dimensional periodic structures is in its infancy, and successful examples have emerged only recently through molecular framework, surface science and crystal engineering approaches. In this Review, we describe successful 2D polymerization strategies, as well as seminal research that inspired their development. These methods include the synthesis of 2D covalent organic frameworks as layered crystals and thin films, surface-mediated polymerization of polyfunctional monomers, and solid-state topochemical polymerizations. Early application targets of 2D polymers include gas separation and storage, optoelectronic devices and membranes, each of which might benefit from predictable long-range molecular organization inherent to this macromolecular architecture.
Local doping of two-dimensional materials
Wong, Dillon; Velasco, Jr, Jairo; Ju, Long; Kahn, Salman; Lee, Juwon; Germany, Chad E.; Zettl, Alexander K.; Wang, Feng; Crommie, Michael F.
2016-09-20
This disclosure provides systems, methods, and apparatus related to locally doping two-dimensional (2D) materials. In one aspect, an assembly including a substrate, a first insulator disposed on the substrate, a second insulator disposed on the first insulator, and a 2D material disposed on the second insulator is formed. A first voltage is applied between the 2D material and the substrate. With the first voltage applied between the 2D material and the substrate, a second voltage is applied between the 2D material and a probe positioned proximate the 2D material. The second voltage between the 2D material and the probe is removed. The first voltage between the 2D material and the substrate is removed. A portion of the 2D material proximate the probe when the second voltage was applied has a different electron density compared to a remainder of the 2D material.
Two-dimensional fourier transform spectrometer
Energy Technology Data Exchange (ETDEWEB)
DeFlores, Lauren; Tokmakoff, Andrei
2016-10-25
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.
Two-dimensional fourier transform spectrometer
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.
Equivalency of two-dimensional algebras
Energy Technology Data Exchange (ETDEWEB)
Santos, Gildemar Carneiro dos; Pomponet Filho, Balbino Jose S. [Universidade Federal da Bahia (UFBA), BA (Brazil). Inst. de Fisica
2011-07-01
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)
Wake-induced bending of two-dimensional plasma crystals
Energy Technology Data Exchange (ETDEWEB)
Röcker, T. B., E-mail: tbr@mpe.mpg.de; Ivlev, A. V., E-mail: ivlev@mpe.mpg.de; Zhdanov, S. K.; Morfill, G. E. [Max Planck Institute for Extraterrestrial Physics, 85741 Garching (Germany); Couëdel, L. [CNRS, Aix-Marseille-Université, Laboratoire de Physique des Interactions Ioniques et Moléculaires, UMR 7345, 13397 Marseille Cedex 20 (France)
2014-07-15
It is shown that the wake-mediated interactions between microparticles in a two-dimensional plasma crystal affect the shape of the monolayer, making it non-flat. The equilibrium shape is calculated for various distributions of the particle number density in the monolayer. For typical experimental conditions, the levitation height of particles in the center of the crystal can be noticeably smaller than at the periphery. It is suggested that the effect of wake-induced bending can be utilized in experiments, to deduce important characteristics of the interparticle interaction.
Wake-induced bending of two-dimensional plasma crystals
Röcker, T B; Zhdanov, S K; Couëdel, L; Morfill, G E
2014-01-01
It is shown that the wake-mediated interactions between microparticles in a two-dimensional plasma crystal affect the shape of the monolayer, making it non-flat. The equilibrium shape is calculated for various distributions of the particle number density in the monolayer. For typical experimental conditions, the levitation height of particles in the center of the crystal can be noticeably smaller than at the periphery. It is suggested that the effect of wake-induced bending can be utilized in experiments, to deduce important characteristics of the interparticle interaction.
NMR study of 1,4-dihydropyridine derivatives endowed with long alkyl and functionalized chains
Energy Technology Data Exchange (ETDEWEB)
Suarez, Margarita; Salfran, Esperanza; Rodriguez, Hortensia; Coro, Julieta, E-mail: msuarez@fq.uh.c [Universidad de La Habana (Cuba). Facultad de Quimica. Lab. de Sintesis Organica; Molero, Dolores; Saez, Elena [Universidad Complutense, Madrid (Spain). CAI-RMN; Martinez-Alvarez, Roberto; Martin, Nazario [Universidad Complutense, Madrid (Spain). Facultad de Quimica. Dept. de Quimica Organica I
2011-07-01
The {sup 1}H , {sup 13}C and {sup 15}N NMR spectroscopic data for 1,4-dihydropyridine endowed with long alkyl and functionalized chain on C-3 and C-5, have been fully assigned by combination of one- and two dimensional experiments (DEPT, HMBC, HMQC, COSY, nOe). (author)
Computer-intensive simulation of solid-state NMR experiments using SIMPSON
Tošner, Zdeněk; Andersen, Rasmus; Stevensson, Baltzar; Edén, Mattias; Nielsen, Niels Chr.; Vosegaard, Thomas
2014-09-01
Conducting large-scale solid-state NMR simulations requires fast computer software potentially in combination with efficient computational resources to complete within a reasonable time frame. Such simulations may involve large spin systems, multiple-parameter fitting of experimental spectra, or multiple-pulse experiment design using parameter scan, non-linear optimization, or optimal control procedures. To efficiently accommodate such simulations, we here present an improved version of the widely distributed open-source SIMPSON NMR simulation software package adapted to contemporary high performance hardware setups. The software is optimized for fast performance on standard stand-alone computers, multi-core processors, and large clusters of identical nodes. We describe the novel features for fast computation including internal matrix manipulations, propagator setups and acquisition strategies. For efficient calculation of powder averages, we implemented interpolation method of Alderman, Solum, and Grant, as well as recently introduced fast Wigner transform interpolation technique. The potential of the optimal control toolbox is greatly enhanced by higher precision gradients in combination with the efficient optimization algorithm known as limited memory Broyden-Fletcher-Goldfarb-Shanno. In addition, advanced parallelization can be used in all types of calculations, providing significant time reductions. SIMPSON is thus reflecting current knowledge in the field of numerical simulations of solid-state NMR experiments. The efficiency and novel features are demonstrated on the representative simulations.
Computer-intensive simulation of solid-state NMR experiments using SIMPSON.
Tošner, Zdeněk; Andersen, Rasmus; Stevensson, Baltzar; Edén, Mattias; Nielsen, Niels Chr; Vosegaard, Thomas
2014-09-01
Conducting large-scale solid-state NMR simulations requires fast computer software potentially in combination with efficient computational resources to complete within a reasonable time frame. Such simulations may involve large spin systems, multiple-parameter fitting of experimental spectra, or multiple-pulse experiment design using parameter scan, non-linear optimization, or optimal control procedures. To efficiently accommodate such simulations, we here present an improved version of the widely distributed open-source SIMPSON NMR simulation software package adapted to contemporary high performance hardware setups. The software is optimized for fast performance on standard stand-alone computers, multi-core processors, and large clusters of identical nodes. We describe the novel features for fast computation including internal matrix manipulations, propagator setups and acquisition strategies. For efficient calculation of powder averages, we implemented interpolation method of Alderman, Solum, and Grant, as well as recently introduced fast Wigner transform interpolation technique. The potential of the optimal control toolbox is greatly enhanced by higher precision gradients in combination with the efficient optimization algorithm known as limited memory Broyden-Fletcher-Goldfarb-Shanno. In addition, advanced parallelization can be used in all types of calculations, providing significant time reductions. SIMPSON is thus reflecting current knowledge in the field of numerical simulations of solid-state NMR experiments. The efficiency and novel features are demonstrated on the representative simulations.
On numerical evaluation of two-dimensional phase integrals
DEFF Research Database (Denmark)
Lessow, H.; Rusch, W.; Schjær-Jacobsen, Hans
1975-01-01
The relative advantages of several common numerical integration algorithms used in computing two-dimensional phase integrals are evaluated.......The relative advantages of several common numerical integration algorithms used in computing two-dimensional phase integrals are evaluated....
Perspective: Two-dimensional resonance Raman spectroscopy
Molesky, Brian P.; Guo, Zhenkun; Cheshire, Thomas P.; Moran, Andrew M.
2016-11-01
Two-dimensional resonance Raman (2DRR) spectroscopy has been developed for studies of photochemical reaction mechanisms and structural heterogeneity in complex systems. The 2DRR method can leverage electronic resonance enhancement to selectively probe chromophores embedded in complex environments (e.g., a cofactor in a protein). In addition, correlations between the two dimensions of the 2DRR spectrum reveal information that is not available in traditional Raman techniques. For example, distributions of reactant and product geometries can be correlated in systems that undergo chemical reactions on the femtosecond time scale. Structural heterogeneity in an ensemble may also be reflected in the 2D spectroscopic line shapes of both reactive and non-reactive systems. In this perspective article, these capabilities of 2DRR spectroscopy are discussed in the context of recent applications to the photodissociation reactions of triiodide and myoglobin. We also address key differences between the signal generation mechanisms for 2DRR and off-resonant 2D Raman spectroscopies. Most notably, it has been shown that these two techniques are subject to a tradeoff between sensitivity to anharmonicity and susceptibility to artifacts. Overall, recent experimental developments and applications of the 2DRR method suggest great potential for the future of the technique.
Two-dimensional hexagonal semiconductors beyond graphene
Nguyen, Bich Ha; Hieu Nguyen, Van
2016-12-01
The rapid and successful development of the research on graphene and graphene-based nanostructures has been substantially enlarged to include many other two-dimensional hexagonal semiconductors (THS): phosphorene, silicene, germanene, hexagonal boron nitride (h-BN) and transition metal dichalcogenides (TMDCs) such as MoS2, MoSe2, WS2, WSe2 as well as the van der Waals heterostructures of various THSs (including graphene). The present article is a review of recent works on THSs beyond graphene and van der Waals heterostructures composed of different pairs of all THSs. One among the priorities of new THSs compared to graphene is the presence of a non-vanishing energy bandgap which opened up the ability to fabricate a large number of electronic, optoelectronic and photonic devices on the basis of these new materials and their van der Waals heterostructures. Moreover, a significant progress in the research on TMDCs was the discovery of valley degree of freedom. The results of research on valley degree of freedom and the development of a new technology based on valley degree of freedom-valleytronics are also presented. Thus the scientific contents of the basic research and practical applications os THSs are very rich and extremely promising.
Two-Dimensional Phononic Crystals: Disorder Matters.
Wagner, Markus R; Graczykowski, Bartlomiej; Reparaz, Juan Sebastian; El Sachat, Alexandros; Sledzinska, Marianna; Alzina, Francesc; Sotomayor Torres, Clivia M
2016-09-14
The design and fabrication of phononic crystals (PnCs) hold the key to control the propagation of heat and sound at the nanoscale. However, there is a lack of experimental studies addressing the impact of order/disorder on the phononic properties of PnCs. Here, we present a comparative investigation of the influence of disorder on the hypersonic and thermal properties of two-dimensional PnCs. PnCs of ordered and disordered lattices are fabricated of circular holes with equal filling fractions in free-standing Si membranes. Ultrafast pump and probe spectroscopy (asynchronous optical sampling) and Raman thermometry based on a novel two-laser approach are used to study the phononic properties in the gigahertz (GHz) and terahertz (THz) regime, respectively. Finite element method simulations of the phonon dispersion relation and three-dimensional displacement fields furthermore enable the unique identification of the different hypersonic vibrations. The increase of surface roughness and the introduction of short-range disorder are shown to modify the phonon dispersion and phonon coherence in the hypersonic (GHz) range without affecting the room-temperature thermal conductivity. On the basis of these findings, we suggest a criteria for predicting phonon coherence as a function of roughness and disorder.
Two-dimensional topological photonic systems
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.
Photodetectors based on two dimensional materials
Zheng, Lou; Zhongzhu, Liang; Guozhen, Shen
2016-09-01
Two-dimensional (2D) materials with unique properties have received a great deal of attention in recent years. This family of materials has rapidly established themselves as intriguing building blocks for versatile nanoelectronic devices that offer promising potential for use in next generation optoelectronics, such as photodetectors. Furthermore, their optoelectronic performance can be adjusted by varying the number of layers. They have demonstrated excellent light absorption, enabling ultrafast and ultrasensitive detection of light in photodetectors, especially in their single-layer structure. Moreover, due to their atomic thickness, outstanding mechanical flexibility, and large breaking strength, these materials have been of great interest for use in flexible devices and strain engineering. Toward that end, several kinds of photodetectors based on 2D materials have been reported. Here, we present a review of the state-of-the-art in photodetectors based on graphene and other 2D materials, such as the graphene, transition metal dichalcogenides, and so on. Project supported by the National Natural Science Foundation of China (Nos. 61377033, 61574132, 61504136) and the State Key Laboratory of Applied Optics, Changchun Institute of Optics, Fine Mechanics and Physics, Chinese Academy of Sciences.
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....
Predicting Two-Dimensional Silicon Carbide Monolayers.
Shi, Zhiming; Zhang, Zhuhua; Kutana, Alex; Yakobson, Boris I
2015-10-27
Intrinsic semimetallicity of graphene and silicene largely limits their applications in functional devices. Mixing carbon and silicon atoms to form two-dimensional (2D) silicon carbide (SixC1-x) sheets is promising to overcome this issue. Using first-principles calculations combined with the cluster expansion method, we perform a comprehensive study on the thermodynamic stability and electronic properties of 2D SixC1-x monolayers with 0 ≤ x ≤ 1. Upon varying the silicon concentration, the 2D SixC1-x presents two distinct structural phases, a homogeneous phase with well dispersed Si (or C) atoms and an in-plane hybrid phase rich in SiC domains. While the in-plane hybrid structure shows uniform semiconducting properties with widely tunable band gap from 0 to 2.87 eV due to quantum confinement effect imposed by the SiC domains, the homogeneous structures can be semiconducting or remain semimetallic depending on a superlattice vector which dictates whether the sublattice symmetry is topologically broken. Moreover, we reveal a universal rule for describing the electronic properties of the homogeneous SixC1-x structures. These findings suggest that the 2D SixC1-x monolayers may present a new "family" of 2D materials, with a rich variety of properties for applications in electronics and optoelectronics.
Continuous Flow 1H and 13C NMR Spectroscopy in Microfluidic Stripline NMR Chips
2017-01-01
Microfluidic stripline NMR technology not only allows for NMR experiments to be performed on small sample volumes in the submicroliter range, but also experiments can easily be performed in continuous flow because of the stripline’s favorable geometry. In this study we demonstrate the possibility of dual-channel operation of a microfluidic stripline NMR setup showing one- and two-dimensional 1H, 13C and heteronuclear NMR experiments under continuous flow. We performed experiments on ethyl crotonate and menthol, using three different types of NMR chips aiming for straightforward microfluidic connectivity. The detection volumes are approximately 150 and 250 nL, while flow rates ranging from 0.5 μL/min to 15 μL/min have been employed. We show that in continuous flow the pulse delay is determined by the replenishment time of the detector volume, if the sample trajectory in the magnet toward NMR detector is long enough to polarize the spin systems. This can considerably speed up quantitative measurement of samples needing signal averaging. So it can be beneficial to perform continuous flow measurements in this setup for analysis of, e.g., reactive, unstable, or mass-limited compounds. PMID:28194934
Interaction of two-dimensional magnetoexcitons
Dumanov, E. V.; Podlesny, I. V.; Moskalenko, S. A.; Liberman, M. A.
2017-04-01
We study interaction of the two-dimensional magnetoexcitons with in-plane wave vector k→∥ = 0 , taking into account the influence of the excited Landau levels (ELLs) and of the external electric field perpendicular to the surface of the quantum well and parallel to the external magnetic field. It is shown that the account of the ELLs gives rise to the repulsion between the spinless magnetoexcitons with k→∥ = 0 in the Fock approximation, with the interaction constant g decreasing inverse proportional to the magnetic field strength B (g (0) ∼ 1 / B) . In the presence of the perpendicular electric field the Rashba spin-orbit coupling (RSOC), Zeeman splitting (ZS) and nonparabolicity of the heavy-hole dispersion law affect the Landau quantization of the electrons and holes. They move along the new cyclotron orbits, change their Coulomb interactions and cause the interaction between 2D magnetoexcitons with k→∥ = 0 . The changes of the Coulomb interactions caused by the electrons and by the holes moving with new cyclotron orbits are characterized by some coefficients, which in the absence of the electric field turn to be unity. The differences between these coefficients of the electron-hole pairs forming the magnetoexcitons determine their affinities to the interactions. The interactions between the homogeneous, semihomogeneous and heterogeneous magnetoexcitons forming the symmetric states with the same signs of their affinities are attractive whereas in the case of different sign affinities are repulsive. In the heterogeneous asymmetric states the interactions have opposite signs in comparison with the symmetric states. In all these cases the interaction constant g have the dependence g (0) 1 /√{ B} .
Two-dimensional materials and their prospects in transistor electronics.
Schwierz, F; Pezoldt, J; Granzner, R
2015-05-14
During the past decade, two-dimensional materials have attracted incredible interest from the electronic device community. The first two-dimensional material studied in detail was graphene and, since 2007, it has intensively been explored as a material for electronic devices, in particular, transistors. While graphene transistors are still on the agenda, researchers have extended their work to two-dimensional materials beyond graphene and the number of two-dimensional materials under examination has literally exploded recently. Meanwhile several hundreds of different two-dimensional materials are known, a substantial part of them is considered useful for transistors, and experimental transistors with channels of different two-dimensional materials have been demonstrated. In spite of the rapid progress in the field, the prospects of two-dimensional transistors still remain vague and optimistic opinions face rather reserved assessments. The intention of the present paper is to shed more light on the merits and drawbacks of two-dimensional materials for transistor electronics and to add a few more facets to the ongoing discussion on the prospects of two-dimensional transistors. To this end, we compose a wish list of properties for a good transistor channel material and examine to what extent the two-dimensional materials fulfill the criteria of the list. The state-of-the-art two-dimensional transistors are reviewed and a balanced view of both the pros and cons of these devices is provided.
Energy Technology Data Exchange (ETDEWEB)
Khatib, Alfi [Division of Pharmacognosy, Section Metabolomics, Institute of Biology, Leiden University, P.O. Box 9502, 2300 RA Leiden (Netherlands); Wilson, Erica G. [Division of Pharmacognosy, Section Metabolomics, Institute of Biology, Leiden University, P.O. Box 9502, 2300 RA Leiden (Netherlands); Kim, Hye Kyong [Division of Pharmacognosy, Section Metabolomics, Institute of Biology, Leiden University, P.O. Box 9502, 2300 RA Leiden (Netherlands); Lefeber, Alfons W.M. [Division of NMR, Leiden Institute of Chemistry, Leiden University, P.O. Box 9502, 2300 RA Leiden (Netherlands); Erkelens, Cornelis [Division of NMR, Leiden Institute of Chemistry, Leiden University, P.O. Box 9502, 2300 RA Leiden (Netherlands); Choi, Young Hae [Division of Pharmacognosy, Section Metabolomics, Institute of Biology, Leiden University, P.O. Box 9502, 2300 RA Leiden (Netherlands)]. E-mail: y.choi@chem.leidenuniv.nl; Verpoorte, Robert [Division of Pharmacognosy, Section Metabolomics, Institute of Biology, Leiden University, P.O. Box 9502, 2300 RA Leiden (Netherlands)
2006-02-16
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. {sup 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 {sup 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 {sup 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.
Two-dimensional gas of massless Dirac fermions in graphene.
Novoselov, K S; Geim, A K; Morozov, S V; Jiang, D; Katsnelson, M I; Grigorieva, I V; Dubonos, S V; Firsov, A A
2005-11-10
Quantum electrodynamics (resulting from the merger of quantum mechanics and relativity theory) has provided a clear understanding of phenomena ranging from particle physics to cosmology and from astrophysics to quantum chemistry. The ideas underlying quantum electrodynamics also influence the theory of condensed matter, but quantum relativistic effects are usually minute in the known experimental systems that can be described accurately by the non-relativistic Schrödinger equation. Here we report an experimental study of a condensed-matter system (graphene, a single atomic layer of carbon) in which electron transport is essentially governed by Dirac's (relativistic) equation. The charge carriers in graphene mimic relativistic particles with zero rest mass and have an effective 'speed of light' c* approximately 10(6) m s(-1). Our study reveals a variety of unusual phenomena that are characteristic of two-dimensional Dirac fermions. In particular we have observed the following: first, graphene's conductivity never falls below a minimum value corresponding to the quantum unit of conductance, even when concentrations of charge carriers tend to zero; second, the integer quantum Hall effect in graphene is anomalous in that it occurs at half-integer filling factors; and third, the cyclotron mass m(c) of massless carriers in graphene is described by E = m(c)c*2. This two-dimensional system is not only interesting in itself but also allows access to the subtle and rich physics of quantum electrodynamics in a bench-top experiment.
Commensurability oscillations in a two-dimensional lateral superlattice
Davies, John; Long, Andrew; Grant, David; Chowdhury, Suja
2000-03-01
We have calculated and measured conduction in a two-dimensional electron gas subject to a weak two-dimensional periodic potential and a normal magnetic field. Simulations with a potential Vx \\cos(2π x/a) + Vy \\cos(2π y/a) show the usual commensurability oscillations in ρ_xx(B) with Vx alone. The introduction of Vy suppresses these oscillations, rather than introducing the additional oscillations in ρ_yy(B) expected from previous perturbation theories. We explain this in terms of drift of the guiding center of cyclotron motion along contours of an effective potential: open orbits of the guiding center contribute to conduction but closed orbits do not. All orbits are closed in a symmetric superlattice with |V_x| = |V_y| and commensurability oscillations are therefore quenched. Experiments on etched superlattices confirm this picture. Conventional lattice-matched samples give a symmetric potential and weak oscillations; the symmetry is broken by the piezoelectric effect in stressed samples, leading to strong oscillations. Periodic modulation of the magnetic field can be treated in the same way, which explains previous experimental results.
Two-dimensional visualization of cluster beams by microchannel plates
Khoukaz, Alfons; Grieser, Silke; Hergemöller, Ann-Katrin; Köhler, Esperanza; Täschner, Alexander
2013-01-01
An advanced technique for a two-dimensional real time visualization of cluster beams in vacuum as well as of the overlap volume of cluster beams with particle accelerator beams is presented. The detection system consists of an array of microchannel plates (MCP) in combination with a phosphor screen which is read out by a CCD camera. This setup together with the ionization of a cluster beam by an electron or ion beam allows for spatial resolved investigations of the cluster beam position, size, and intensity. Moreover, since electrically uncharged clusters remain undetected, the operation in an internal beam experiment opens the way to monitor the overlap region and thus the position and size of an accelerator beam crossing an originally electrically neutral cluster jet. The observed intensity distribution of the recorded image is directly proportional to the convolution of the spatial ion beam and cluster beam intensities and is by this a direct measure of the two-dimensional luminosity distribution. This inf...
Gesture Recognition Using Character Recognition Techniques on Two-dimensional Eigenspace
大野, 宏; 山本, 正信; Ohno, Hiroshi; Yamamoto, Masanobu
1999-01-01
This paper describes a novel method for gesture recognition using character recognition techniques on two-dimensional eigenspace. An image-based approach can capture human body poses in 3D motion from multiple image sequences. The sequence of poses can be reduced into a trajectory on the two-dimensional eigenspace with preserving the main features in gesture, so that the gesture recognition equals the character recognition. Experiments for the gesture recognition using some character recognit...
Quasi-two-dimensional Dirac fermions and quantum magnetoresistance in LaAgBi$_2$
Wang, Kefeng; Graf, D.; Petrovic, C.
2016-01-01
We report quasi-two-dimensional Dirac fermions and quantum magnetoresistance in LaAgBi$_2$. The band structure shows several narrow bands with nearly linear energy dispersion and Dirac-cone-like points at the Fermi level. The quantum oscillation experiments revealed one quasi-two-dimensional Fermi pocket and another complex pocket with small cyclotron resonant mass. The in-plane transverse magnetoresistance exhibits a crossover at a critical field $B^*$ from semiclassical weak-field $B^2$ dep...
3D Reconstruction of NMR Images by LabVIEW
Directory of Open Access Journals (Sweden)
Peter IZAK
2007-01-01
Full Text Available This paper introduces the experiment of 3D reconstruction NMR images via virtual instrumentation - LabVIEW. The main idea is based on marching cubes algorithm and image processing implemented by module of Vision assistant. The two dimensional images shot by the magnetic resonance device provide information about the surface properties of human body. There is implemented algorithm which can be used for 3D reconstruction of magnetic resonance images in biomedical application.
Molecular assembly on two-dimensional materials
Kumar, Avijit; Banerjee, Kaustuv; Liljeroth, Peter
2017-02-01
Molecular self-assembly is a well-known technique to create highly functional nanostructures on surfaces. Self-assembly on two-dimensional (2D) materials is a developing field driven by the interest in functionalization of 2D materials in order to tune their electronic properties. This has resulted in the discovery of several rich and interesting phenomena. Here, we review this progress with an emphasis on the electronic properties of the adsorbates and the substrate in well-defined systems, as unveiled by scanning tunneling microscopy. The review covers three aspects of the self-assembly. The first one focuses on non-covalent self-assembly dealing with site-selectivity due to inherent moiré pattern present on 2D materials grown on substrates. We also see that modification of intermolecular interactions and molecule–substrate interactions influences the assembly drastically and that 2D materials can also be used as a platform to carry out covalent and metal-coordinated assembly. The second part deals with the electronic properties of molecules adsorbed on 2D materials. By virtue of being inert and possessing low density of states near the Fermi level, 2D materials decouple molecules electronically from the underlying metal substrate and allow high-resolution spectroscopy and imaging of molecular orbitals. The moiré pattern on the 2D materials causes site-selective gating and charging of molecules in some cases. The last section covers the effects of self-assembled, acceptor and donor type, organic molecules on the electronic properties of graphene as revealed by spectroscopy and electrical transport measurements. Non-covalent functionalization of 2D materials has already been applied for their application as catalysts and sensors. With the current surge of activity on building van der Waals heterostructures from atomically thin crystals, molecular self-assembly has the potential to add an extra level of flexibility and functionality for applications ranging
Simorellis, Alana K.; Flynn, Peter F.
2004-10-01
Pulsed gradient simulated-echo (PGSE) NMR diffusion measurements provide a facile and accurate means for determining the self-diffusion coefficients for molecules over a wide range of sizes and conditions. The measurement of diffusion in solvents of low intrinsic viscosity is particularly challenging, due to the persistent presence of convection. Although convection can occur in most solvent systems at elevated temperatures, in lower viscosity solvents (e.g., short chain alkanes), convection may manifest itself even at ambient laboratory temperatures. In most circumstances, solvent suppression will also be required, and for solvents that have multiple resonances, effective suppression can likewise represent a substantial challenge. In this article, we report an NMR experiment that combines a double-stimulated echo PFG approach with a WET-based solvent suppression scheme that effectively and simultaneously address the issues of dynamic range and the deleterious effects of convection. The experiment described will be of general benefit to studies aimed at the characterization of diffusion of single molecules directly dissolved in low-viscosity solvents, and should also be of substantial utility in studies of supramolecular assemblies such as reverse-micelles dissolved in apolar solvents.
Time domain NMR applied to food products
Duynhoven, van J.P.M.; Voda, A.; Witek, M.M.; As, van H.
2010-01-01
Time-domain NMR is being used throughout all areas of food science and technology. A wide range of one- and two-dimensional relaxometric and diffusometric applications have been implemented on cost-effective, robust and easy-to-use benchtop NMR equipment. Time-domain NMR applications do not only
Optical Spectroscopy of Two Dimensional Graphene and Boron Nitride
Ju, Long
This dissertation describes the use of optical spectroscopy in studying the physical properties of two dimensional nano materials like graphene and hexagonal boron nitride. Compared to bulk materials, atomically thin two dimensional materials have a unique character that is the strong dependence of physical properties on external control. Both electronic band structure and chemical potential can be tuned in situ by electric field-which is a powerful knob in experiment. Therefore the optical study at atomic thickness scale can greatly benefit from modern micro-fabrication technique and electric control of the material properties. As will be shown in this dissertation, such control of both gemometric and physical properties enables new possibilities of optical spectroscopic measurement as well as opto-electronic studies. Other experimental techniques like electric transport and scanning tunneling microscopy and spectroscopy are also combined with optical spectroscopy to reveal the physics that is beyond the reach of each individual technique. There are three major themes in the dissertation. The first one is focused on the study of plasmon excitation of Dirac electrons in monolayer graphene. Unlike plasmons in ordinary two dimensional electron gas, plasmons of 2D electrons as in graphene obey unusual scaling laws. We fabricate graphene micro-ribbon arrays with photolithography technique and use optical absorption spectroscopy to study its absorption spectrum. The experimental result demonstrates the extraordinarily strong light-plasmon coupling and its novel dependence on both charge doping and geometric dimensions. This work provides a first glance at the fundamental properties of graphene plasmons and forms the basis of an emerging subfield of graphene research and applications such as graphene terahertz metamaterials. The second part describes the opto-electronic response of heterostructures composed of graphene and hexagonal boron nitride. We found that there is
Ozarslan, Evren; Shemesh, Noam; Basser, Peter J
2009-03-14
Based on a description introduced by Robertson, Grebenkov recently introduced a powerful formalism to represent the diffusion-attenuated NMR signal for simple pore geometries such as slabs, cylinders, and spheres analytically. In this work, we extend this multiple correlation function formalism by allowing for possible variations in the direction of the magnetic field gradient waveform. This extension is necessary, for example, to incorporate the effects of imaging gradients in diffusion-weighted NMR imaging scans and in characterizing anisotropy at different length scales via double pulsed field gradient (PFG) experiments. In cylindrical and spherical pores, respectively, two- and three-dimensional vector operators are employed whose form is deduced from Grebenkov's results via elementary operator algebra for the case of cylinders and the Wigner-Eckart theorem for the case of spheres. The theory was validated by comparison with known findings and with experimental double-PFG data obtained from water-filled microcapillaries.
Two-dimensional Fourier transform ESR correlation spectroscopy
Gorcester, Jeff; Freed, Jack H.
1988-04-01
We describe our pulsed two-dimensional Fourier transform ESR experiment and demonstrate its applicabilty for the double resonance of motionally narrowed nitroxides. Multiple pulse irradiation of the entire nitroxide spectrum enables the correlation of two precessional periods, allowing observation of cross correlations between hyperfine lines introduced by magnetization transfer in the case of a three-pulse experiment (2D ELDOR), or coherence transfer in the case of a two-pulse experiment (COSY). Cross correlations are revealed by the presence of cross peaks which connect the autocorrelation lines appearing along the diagonal ω1=ω2. The amplitudes of these cross peaks are determined by the rates of magnetization transfer in the 2D ELDOR experiment. The density operator theory for the experiment is outlined and applied to the determination of Heisenberg exchange (HE) rates in 2,2,6,6-tetramethyl-4-piperidone-N-oxyl-d15 (PD-tempone) dissolved in toluene-d8. The quantitative accuracy of this experiment is established by comparison with the HE rate measured from the dependence of the spin echo T2 on nitroxide concentration.
Two-dimensional Numerical Modeling Research on Continent Subduction Dynamics
Institute of Scientific and Technical Information of China (English)
WANG Zhimin; XU Bei; ZHOU Yaoqi; XU Hehua; HUANG Shaoying
2004-01-01
Continent subduction is one of the hot research problems in geoscience. New models presented here have been set up and two-dimensional numerical modeling research on the possibility of continental subduction has been made with the finite element software, ANSYS, based on documentary evidence and reasonable assumptions that the subduction of oceanic crust has occurred, the subduction of continental crust can take place and the process can be simplified to a discontinuous plane strain theory model. The modeling results show that it is completely possible for continental crust to be subducted to a depth of 120 km under certain circumstances and conditions. At the same time, the simulations of continental subduction under a single dynamical factor have also been made, including the pull force of the subducted oceanic lithosphere, the drag force connected with mantle convection and the push force of the mid-ocean ridge. These experiments show that the drag force connected with mantle convection is critical for continent subduction.
Ultrabroadband two-quantum two-dimensional electronic spectroscopy
Gellen, Tobias A.; Bizimana, Laurie A.; Carbery, William P.; Breen, Ilana; Turner, Daniel B.
2016-08-01
A recent theoretical study proposed that two-quantum (2Q) two-dimensional (2D) electronic spectroscopy should be a background-free probe of post-Hartree-Fock electronic correlations. Testing this theoretical prediction requires an instrument capable of not only detecting multiple transitions among molecular excited states but also distinguishing molecular 2Q signals from nonresonant response. Herein we describe a 2Q 2D spectrometer with a spectral range of 300 nm that is passively phase stable and uses only beamsplitters and mirrors. We developed and implemented a dual-chopping balanced-detection method to resolve the weak molecular 2Q signals. Experiments performed on cresyl violet perchlorate and rhodamine 6G revealed distinct 2Q signals convolved with nonresonant response. Density functional theory computations helped reveal the molecular origin of these signals. The experimental and computational results demonstrate that 2Q electronic spectra can provide a singular probe of highly excited electronic states.
Two dimensional radiated power diagnostics on Alcator C-Moda)
Reinke, M. L.; Hutchinson, I. H.
2008-10-01
The radiated power diagnostics for the Alcator C-Mod tokamak have been upgraded to measure two dimensional structure of the photon emissivity profile in order to investigate poloidal asymmetries in the core radiation. Commonly utilized unbiased absolute extreme ultraviolet (AXUV) diode arrays view the plasma along five different horizontal planes. The layout of the diagnostic set is shown and the results from calibrations and recent experiments are discussed. Data showing a significant, 30%-40%, inboard/outboard emissivity asymmetry during ELM-free H-mode are presented. The ability to use AXUV diode arrays to measure absolute radiated power is explored by comparing diode and resistive bolometer-based emissivity profiles for highly radiative L-mode plasmas seeded with argon. Emissivity profiles match in the core but disagree radially outward resulting in an underprediction of Prad of nearly 50% by the diodes compared to Prad determined using resistive bolometers.
The convolution theorem for two-dimensional continuous wavelet transform
Institute of Scientific and Technical Information of China (English)
ZHANG CHI
2013-01-01
In this paper , application of two -dimensional continuous wavelet transform to image processes is studied. We first show that the convolution and correlation of two continuous wavelets satisfy the required admissibility and regularity conditions ,and then we derive the convolution and correlation theorem for two-dimensional continuous wavelet transform. Finally, we present numerical example showing the usefulness of applying the convolution theorem for two -dimensional continuous wavelet transform to perform image restoration in the presence of additive noise.
Energy Technology Data Exchange (ETDEWEB)
Millar, J.M.
1986-02-01
High field solid-state NMR lineshapes suffer from inhomogeneous broadening since resonance frequencies are a function of molecular orientation. Time domain zero field NMR is a two-dimensional field-cycling technique which removes this broadening by probing the evolution of the spin system under zero applied field. The simplest version, the sudden transition experiment, induces zero field evolution by the sudden removal of the applied magnetic field. Theory and experimental results of this experiment and several variations using pulsed dc magnetic fuelds to initiate zero field evolution are presented. In particular, the pulsed indirect detection method allows detection of the zero field spectrum of one nuclear spin species via another (usually protons) by utilizing the level crossings which occur upon adiabatic demagnetization to zero field. Experimental examples of proton/deuteron systems are presented which demonstrate the method results in enhanced sensitivity relative to that obtained in sudden transition experiments performed directly on deuterium. High resolution /sup 2/H NQR spectra of a series of benzoic acid derivatives are obtained using the sudden transition and indirect detection methods. Librational oscillations in the water molecules of barium chlorate monohydrate are studied using proton and deuterium ZF experiments. 177 refs., 88 figs., 2 tabs.
Two-dimensional visualization of cluster beams by microchannel plates
Energy Technology Data Exchange (ETDEWEB)
Khoukaz, A., E-mail: khoukaz@uni-muenster.de; Bonaventura, D.; Grieser, S.; Hergemöller, A.-K.; Köhler, E.; Täschner, A.
2014-01-21
An advanced technique for a two-dimensional real time visualization of cluster beams in a vacuum as well as of the overlap volume of cluster beams with particle accelerator beams is presented. The detection system consists of an array of microchannel plates (MCPs) in combination with a phosphor screen which is read out by a CCD camera. This setup together with the ionization of a cluster beam by an electron or ion beam allows for spatial resolved investigations of the cluster beam position, size, and intensity. Moreover, since electrically uncharged clusters remain undetected, the operation in an internal beam experiment opens the way to monitor the overlap region and thus the position and size of an accelerator beam crossing an originally electrically neutral cluster jet. The observed intensity distribution of the recorded image is directly proportional to the convolution of the spatial ion beam and cluster beam intensities and is by this a direct measure of the two-dimensional luminosity distribution. This information can directly be used for the reconstruction of vertex positions as well as for an input for numerical simulations of the reaction zone. The spatial resolution of the images is dominated by the granularity of the complete MCP device and was found to be in the order of σ≈100μm. -- Highlights: • We present a MCP system for a 2D real time visualization of cluster target beams. • With this device the vertex region of storage ring experiments can be investigated. • Time resolved 2D information about the target thickness distribution is accessible. • A spatial resolution of the MCP device of 0.1 mm was achieved. • The presented MCP system also allows for measurements on cluster masses.
A discrete Fourier-encoded, diagonal-free experiment to simplify homonuclear 2D NMR correlations
Huang, Zebin; Guan, Quanshuai; Chen, Zhong; Frydman, Lucio; Lin, Yulan
2017-07-01
Nuclear magnetic resonance (NMR) spectroscopy has long served as an irreplaceable, versatile tool in physics, chemistry, biology, and materials sciences, owing to its ability to study molecular structure and dynamics in detail. In particular, the connectivity of chemical sites within molecules, and thereby molecular structure, becomes visible by multi-dimensional NMR. Homonuclear correlation experiments are a powerful tool for identifying coupled spins. Generally, diagonal peaks in these correlation spectra display the strongest intensities and do not offer any new information beyond the standard one-dimensional spectrum, whereas weaker, symmetrically placed cross peaks contain most of the coupling information. The cross peaks near the diagonal are often affected by the tails of strong diagonal peaks or even obscured entirely by the diagonal. In this paper, we demonstrate a homonuclear encoding approach based on imparting a discrete phase modulation of the targeted cross peaks and combine it with a site-selective sculpting scheme, capable of simplifying the patterns arising in these 2D correlation spectra. The theoretical principles of the new methods are laid out, and experimental observations are rationalized on the basis of theoretical analyses. The ensuing techniques provide a new way to retrieve 2D coupling information within homonuclear spin systems, with enhanced sensitivity, speed, and clarity.
Takeuchi, Koh; Heffron, Gregory; Sun, Zhen-Yu J; Frueh, Dominique P; Wagner, Gerhard
2010-08-01
Heteronuclear direct-detection experiments, which utilize the slower relaxation properties of low gamma nuclei, such as (13)C have recently been proposed for sequence-specific assignment and structural analyses of large, unstructured, and/or paramagnetic proteins. Here we present two novel (15)N direct-detection experiments. The CAN experiment sequentially connects amide (15)N resonances using (13)C(alpha) chemical shift matching, and the CON experiment connects the preceding (13)C' nuclei. When starting from the same carbon polarization, the intensities of nitrogen signals detected in the CAN or CON experiments would be expected four times lower than those of carbon resonances observed in the corresponding (13)C-detecting experiment, NCA-DIPAP or NCO-IPAP (Bermel et al. 2006b; Takeuchi et al. 2008). However, the disadvantage due to the lower gamma is counteracted by the slower (15)N transverse relaxation during detection, the possibility for more efficient decoupling in both dimensions, and relaxation optimized properties of the pulse sequences. As a result, the median S/N in the (15)N observe CAN experiment is 16% higher than in the (13)C observe NCA-DIPAP experiment. In addition, significantly higher sensitivity was observed for those residues that are hard to detect in the NCA-DIPAP experiment, such as Gly, Ser and residues with high-field C(alpha) resonances. Both CAN and CON experiments are able to detect Pro resonances that would not be observed in conventional proton-detected experiments. In addition, those experiments are free from problems of incomplete deuterium-to-proton back exchange in amide positions of perdeuterated proteins expressed in D(2)O. Thus, these features and the superior resolution of (15)N-detected experiments provide an attractive alternative for main chain assignments. The experiments are demonstrated with the small model protein GB1 at conditions simulating a 150 kDa protein, and the 52 kDa glutathione S-transferase dimer, GST.
Two-dimensional crystallization of integral membrane proteins for electron crystallography.
Stokes, David L; Rice, William J; Hu, Minghui; Kim, Changki; Ubarretxena-Belandia, Iban
2010-01-01
Although membrane proteins make up 30% of the proteome and are a common target for therapeutic drugs, determination of their atomic structure remains a technical challenge. Electron crystallography represents an alternative to the conventional methods of X-ray diffraction and NMR and relies on the formation of two-dimensional crystals. These crystals are produced by reconstituting purified, detergent-solubilized membrane proteins back into the native environment of a lipid bilayer. This chapter reviews methods for producing two-dimensional crystals and for screening them by negative stain electron microscopy. In addition, we show examples of the different morphologies that are commonly obtained and describe basic image analysis procedures that can be used to evaluate their promise for structure determination by cryoelectron microscopy.
The Chandrasekhar's Equation for Two-Dimensional Hypothetical White Dwarfs
De, Sanchari
2014-01-01
In this article we have extended the original work of Chandrasekhar on the structure of white dwarfs to the two-dimensional case. Although such two-dimensional stellar objects are hypothetical in nature, we strongly believe that the work presented in this article may be prescribed as Master of Science level class problem for the students in physics.
Beginning Introductory Physics with Two-Dimensional Motion
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…
Spatiotemporal surface solitons in two-dimensional photonic lattices.
Mihalache, Dumitru; Mazilu, Dumitru; Lederer, Falk; Kivshar, Yuri S
2007-11-01
We analyze spatiotemporal light localization in truncated two-dimensional photonic lattices and demonstrate the existence of two-dimensional surface light bullets localized in the lattice corners or the edges. We study the families of the spatiotemporal surface solitons and their properties such as bistability and compare them with the modes located deep inside the photonic lattice.
Explorative data analysis of two-dimensional electrophoresis gels
DEFF Research Database (Denmark)
Schultz, J.; Gottlieb, D.M.; Petersen, Marianne Kjerstine;
2004-01-01
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...
Mechanics of Apparent Horizon in Two Dimensional Dilaton Gravity
Cai, Rong-Gen
2016-01-01
In this article, we give a definition of apparent horizon in a two dimensional general dilaton gravity theory. With this definition, we construct the mechanics of the apparent horizon by introducing a quasi-local energy of the theory. Our discussion generalizes the apparent horizons mechanics in general spherically symmetric spactimes in four or higher dimensions to the two dimensional dilaton gravity case.
Topological aspect of disclinations in two-dimensional crystals
Institute of Scientific and Technical Information of China (English)
Qi Wei-Kai; Zhu Tao; Chen Yong; Ren Ji-Rong
2009-01-01
By using topological current theory, this paper studies the inner topological structure of disclinations during the melting of two-dimensional systems. From two-dimensional elasticity theory, it finds that there are topological currents for topological defects in homogeneous equation. The evolution of disclinations is studied, and the branch conditions for generating, annihilating, crossing, splitting and merging of disclinations are given.
Invariant Subspaces of the Two-Dimensional Nonlinear Evolution Equations
Directory of Open Access Journals (Sweden)
Chunrong Zhu
2016-11-01
Full Text Available In this paper, we develop the symmetry-related methods to study invariant subspaces of the two-dimensional nonlinear differential operators. The conditional Lie–Bäcklund symmetry and Lie point symmetry methods are used to construct invariant subspaces of two-dimensional differential operators. We first apply the multiple conditional Lie–Bäcklund symmetries to derive invariant subspaces of the two-dimensional operators. As an application, the invariant subspaces for a class of two-dimensional nonlinear quadratic operators are provided. Furthermore, the invariant subspace method in one-dimensional space combined with the Lie symmetry reduction method and the change of variables is used to obtain invariant subspaces of the two-dimensional nonlinear operators.
Tugarinov, Vitali; Venditti, Vincenzo; Marius Clore, G
2014-01-01
A methyl-detected 'out-and-back' NMR experiment for obtaining simultaneous correlations of methyl resonances of valine and isoleucine/leucine residues with backbone carbonyl chemical shifts, SIM-HMCM(CGCBCA)CO, is described. The developed pulse-scheme serves the purpose of convenience in recording a single data set for all Ile(δ1), Leu(δ) and Val(γ) (ILV) methyl positions instead of acquiring two separate spectra selective for valine or leucine/isoleucine residues. The SIM-HMCM(CGCBCA)CO experiment can be used for ILV methyl assignments in moderately sized protein systems (up to ~100 kDa) where the backbone chemical shifts of (13)C(α), (13)Cβ and (13)CO are known from prior NMR studies and where some losses in sensitivity can be tolerated for the sake of an overall reduction in NMR acquisition time.
Two-dimensional Nutation Echo Nuclear Quadrupole Resonance Spectroscopy
Harbison, Gerard S.; Slokenbergs, Andris
1990-04-01
We discuss two new two-dimensional nuclear quadrupole resonance experiments, both based on the principle of nutation spectroscopy, which can be used to determine the asymmetry parameter, and thus the full quadrupolar tensor, of spin-3/2 nuclei at zero applied magnetic field. The first experiment is a simple nutation pulse sequence in which the first time period (t1) is the duration of the radiofrequency exciting pulse; and the second (t2) is the normal free-precession of a quadrupolar nucleus at zero-field. After double Fourier-transformation, the result is a 2 D spectrum in which the first frequency dimension is the nutation spectrum for the quadrupolar nucleus at zero-field. For polycrystalline samples this sequence generates powder lineshapes; the position of the singularities, in these lineshapes can be used to determine the asymmetry parameters η in a very straightforward manner, η has previously only been obtainable using Zeeman perturbed NQR methods. The second sequence is the same nutation experiment with a spin-echo pulse added. The virtue of this refocussing pulse is that it allows acquisition of nutation spectra from samples with arbitrary inhomogeneous linewidth; thus, asymmetry parameters can be determined even where the quadrupolar resonance is wider than the bandwidth of the spectrometer. Experimental examples of 35Cl, 81Br and 63Cu nutation and nutation-echo spectra are presented.
Wang, Jing; Zhang, Zhengfeng; Zhao, Weijing; Wang, Liying; Yang, Jun
2016-05-09
The MAS solid-state NMR has been a powerful technique for studying membrane proteins within the native-like lipid bilayer environment. In general, RF irradiation in MAS NMR experiments can heat and potentially destroy expensive membrane protein samples. However, under practical MAS NMR experimental conditions, detailed characterization of RF heating effect of lipid bilayer samples is still lacking. Herein, using (1) H chemical shift of water for temperature calibration, we systematically study the dependence of RF heating on hydration levels and salt concentrations of three lipids in MAS NMR experiments. Under practical (1) H decoupling conditions used in biological MAS NMR experiments, three lipids show different dependence of RF heating on hydration levels as well as salt concentrations, which are closely associated with the properties of lipids. The maximum temperature elevation of about 10 °C is similar for the three lipids containing 200% hydration, which is much lower than that in static solid-state NMR experiments. The RF heating due to salt is observed to be less than that due to hydration, with a maximum temperature elevation of less than 4 °C in the hydrated samples containing 120 mmol l(-1) of salt. Upon RF irradiation, the temperature gradient across the sample is observed to be greatly increased up to 20 °C, as demonstrated by the remarkable broadening of (1) H signal of water. Based on detailed characterization of RF heating effect, we demonstrate that RF heating and temperature gradient can be significantly reduced by decreasing the hydration levels of lipid bilayer samples from 200% to 30%. Copyright © 2016 John Wiley & Sons, Ltd. Copyright © 2016 John Wiley & Sons, Ltd.
Schuyler, Adam D; Maciejewski, Mark W; Stern, Alan S; Hoch, Jeffrey C
2015-01-01
Nonuniform sampling (NUS) in multidimensional NMR permits the exploration of higher dimensional experiments and longer evolution times than the Nyquist Theorem practically allows for uniformly sampled experiments. However, the spectra of NUS data include sampling-induced artifacts and may be subject to distortions imposed by sparse data reconstruction techniques, issues not encountered with the discrete Fourier transform (DFT) applied to uniformly sampled data. The characterization of these NUS-induced artifacts allows for more informed sample schedule design and improved spectral quality. The DFT–Convolution Theorem, via the point-spread function (PSF) for a given sampling scheme, provides a useful framework for exploring the nature of NUS sampling artifacts. In this work, we analyze the PSFs for a set of specially constructed NUS schemes to quantify the interplay between randomization and dimensionality for reducing artifacts relative to uniformly undersampled controls. In particular, we find a synergistic relationship between the indirect time dimensions and the “quadrature phase dimension” (i.e. the hypercomplex components collected for quadrature detection). The quadrature phase dimension provides additional degrees of freedom that enable partial-component NUS (collecting a subset of quadrature components) to further reduce sampling-induced aliases relative to traditional full-component NUS (collecting all quadrature components). The efficacy of artifact reduction is exponentially related to the dimensionality of the sample space. Our results quantify the utility of partial-component NUS as an additional means for introducing decoherence into sampling schemes and reducing sampling artifacts in high dimensional experiments. PMID:25899289
Two-dimensional discrete gap breathers in a two-dimensional discrete diatomic Klein-Gordon lattice
Institute of Scientific and Technical Information of China (English)
XU Quan; QIANG Tian
2009-01-01
We study the existence and stability of two-dimensional discrete breathers in a two-dimensional discrete diatomic Klein-Gordon lattice consisting of alternating light and heavy atoms, with nearest-neighbor harmonic coupling.Localized solutions to the corresponding nonlinear differential equations with frequencies inside the gap of the linear wave spectrum, i.e. two-dimensional gap breathers, are investigated numerically. The numerical results of the corresponding algebraic equations demonstrate the possibility of the existence of two-dimensional gap breathers with three types of symmetries, i.e., symmetric, twin-antisymmetric and single-antisymmetric. Their stability depends on the nonlinear on-site potential (soft or hard), the interaction potential (attractive or repulsive)and the center of the two-dimensional gap breather (on a light or a heavy atom).
Hartel, Aaron M.; Moore, Amy C.
2014-01-01
The extraction and analysis of fats from convenience foods (crackers, cookies, chips, candies) has been developed as an experiment for a second-year undergraduate organic chemistry laboratory course. Students gravimetrically determine the fat content per serving and then perform a [superscript 1]H NMR analysis of the recovered fat to determine the…
Isaac-Lam, Meden F.
2014-01-01
A 45 MHz benchtop NMR spectrometer is used to identify the structures and determine the amount of 1-bromoethylbenzene and 1,1-dibromoethylbenzene produced from free-radical bromination of ethylbenzene. The experiment is designed for nonchemistry majors, specifically B.S. Biology students, in a predominantly undergraduate institution with…
Hartel, Aaron M.; Moore, Amy C.
2014-01-01
The extraction and analysis of fats from convenience foods (crackers, cookies, chips, candies) has been developed as an experiment for a second-year undergraduate organic chemistry laboratory course. Students gravimetrically determine the fat content per serving and then perform a [superscript 1]H NMR analysis of the recovered fat to determine the…
Two-dimensional model for circulating fluidized-bed reactors
Energy Technology Data Exchange (ETDEWEB)
Schoenfelder, H.; Kruse, M.; Werther, J. [Technical Univ. Hamburg-Harburg, Hamburg (Germany). Dept. of Chemical Engineering
1996-07-01
Circulating fluidized bed reactors are widely used for the combustion of coal in power stations as well as for the cracking of heavy oil in the petroleum industry. A two-dimensional reactor model for circulating fluidized beds (CFB) was studied based on the assumption that at every location within the riser, a descending dense phase and a rising lean phase coexist. Fluid mechanical variables may be calculated from one measured radial solids flux profile (upward and downward). The internal mass-transfer behavior is described on the basis of tracer gas experiments. The CFB reactor model was tested against data from ozone decomposition experiments in a CFB cold flow model (15.6-m height, 0.4-m ID) operated in the ranges 2.5--4.5 m/s and 9--45 kg/(m{sup 2}{center_dot}s) of superficial gas velocity and solids mass flux, respectively. Based on effective reaction rate constants determined from the ozone exit concentration, the model was used to predict the spatial reactant distribution within the reactor. Model predictions agreed well with measurements.
Two dimensional discriminant neighborhood preserving embedding in face recognition
Pang, Meng; Jiang, Jifeng; Lin, Chuang; Wang, Binghui
2015-03-01
One of the key issues of face recognition is to extract the features of face images. In this paper, we propose a novel method, named two-dimensional discriminant neighborhood preserving embedding (2DDNPE), for image feature extraction and face recognition. 2DDNPE benefits from four techniques, i.e., neighborhood preserving embedding (NPE), locality preserving projection (LPP), image based projection and Fisher criterion. Firstly, NPE and LPP are two popular manifold learning techniques which can optimally preserve the local geometry structures of the original samples from different angles. Secondly, image based projection enables us to directly extract the optimal projection vectors from twodimensional image matrices rather than vectors, which avoids the small sample size problem as well as reserves useful structural information embedded in the original images. Finally, the Fisher criterion applied in 2DDNPE can boost face recognition rates by minimizing the within-class distance, while maximizing the between-class distance. To evaluate the performance of 2DDNPE, several experiments are conducted on the ORL and Yale face datasets. The results corroborate that 2DDNPE outperforms the existing 1D feature extraction methods, such as NPE, LPP, LDA and PCA across all experiments with respect to recognition rate and training time. 2DDNPE also delivers consistently promising results compared with other competing 2D methods such as 2DNPP, 2DLPP, 2DLDA and 2DPCA.
Two Dimensional Hydrodynamic Analysis of the Moose Creek Floodway
2012-09-01
ER D C/ CH L TR -1 2 -2 0 Two Dimensional Hydrodynamic Analysis of the Moose Creek Floodway C oa st al a n d H yd ra u lic s La b or at...distribution is unlimited. ERDC/CHL TR-12-20 September 2012 Two Dimensional Hydrodynamic Analysis of the Moose Creek Floodway Stephen H. Scott, Jeremy A...A two-dimensional Adaptive Hydraulics (AdH) hydrodynamic model was developed to simulate the Moose Creek Floodway. The Floodway is located
RESEARCH ON TWO-DIMENSIONAL LDA FOR FACE RECOGNITION
Institute of Scientific and Technical Information of China (English)
Han Ke; Zhu Xiuchang
2006-01-01
The letter presents an improved two-dimensional linear discriminant analysis method for feature extraction. Compared with the current two-dimensional methods for feature extraction, the improved two-dimensional linear discriminant analysis method makes full use of not only the row and the column direction information of face images but also the discriminant information among different classes. The method is evaluated using the Nanjing University of Science and Technology (NUST) 603 face database and the Aleix Martinez and Robert Benavente (AR) face database. Experimental results show that the method in the letter is feasible and effective.
Mak, Kendrew K. W.
2004-01-01
NMR spectroscopy is presented. It is seen that the experiment regarding the synthesis and resolution of 1,1'-Bi-2-naphtol presents a good experiment for teaching organic synthesis and NMR spectroscopy and provides a strategy for obtaining enantiopure compounds from achiral starting materials.
Mak, Kendrew K. W.
2004-01-01
NMR spectroscopy is presented. It is seen that the experiment regarding the synthesis and resolution of 1,1'-Bi-2-naphtol presents a good experiment for teaching organic synthesis and NMR spectroscopy and provides a strategy for obtaining enantiopure compounds from achiral starting materials.
Electromagnetic Wave Propagation in Two-Dimensional Photonic Crystals
Energy Technology Data Exchange (ETDEWEB)
Stavroula Foteinopoulou
2003-12-12
In this dissertation, they have undertaken the challenge to understand the unusual propagation properties of the photonic crystal (PC). The photonic crystal is a medium where the dielectric function is periodically modulated. These types of structures are characterized by bands and gaps. In other words, they are characterized by frequency regions where propagation is prohibited (gaps) and regions where propagation is allowed (bands). In this study they focus on two-dimensional photonic crystals, i.e., structures with periodic dielectric patterns on a plane and translational symmetry in the perpendicular direction. They start by studying a two-dimensional photonic crystal system for frequencies inside the band gap. The inclusion of a line defect introduces allowed states in the otherwise prohibited frequency spectrum. The dependence of the defect resonance state on different parameters such as size of the structure, profile of incoming source, etc., is investigated in detail. For this study, they used two popular computational methods in photonic crystal research, the Finite Difference Time Domain method (FDTD) and the Transfer Matrix Method (TMM). The results for the one-dimensional defect system are analyzed, and the two methods, FDTD and TMM, are compared. Then, they shift their attention only to periodic two-dimensional crystals, concentrate on their band properties, and study their unusual refractive behavior. Anomalous refractive phenomena in photonic crystals included cases where the beam refracts on the ''wrong'' side of the surface normal. The latter phenomenon, is known as negative refraction and was previously observed in materials where the wave vector, the electric field, and the magnetic field form a left-handed set of vectors. These materials are generally called left-handed materials (LHM) or negative index materials (NIM). They investigated the possibility that the photonic crystal behaves as a LHM, and how this behavior relates
An NMR Experiment Based on Off-the-Shelf Digital Data-Acquisition Equipment
Hilty, Christian; Bowen, Sean
2010-01-01
Nuclear magnetic resonance (NMR) poses significant challenges for teaching in the context of an undergraduate laboratory, foremost because of high equipment cost. Current off-the-shelf data-acquisition hardware, however, is sufficiently powerful to constitute the core of a fully digital NMR spectrometer operating at the earth's field. We present…
Hypothesis: the sound of the individual metabolic phenotype? Acoustic detection of NMR experiments
Cacciatore, S.; Saccenti, E.; Piccioli, M.
2015-01-01
We present here an innovative hypothesis and report preliminary evidence that the sound of NMR signals could provide an alternative to the current representation of the individual metabolic fingerprint and supply equally significant information. The NMR spectra of the urine samples provided by four
A study of two-dimensional magnetic polaron
Institute of Scientific and Technical Information of China (English)
LIU; Tao; ZHANG; Huaihong; FENG; Mang; WANG; Kelin
2006-01-01
By using the variational method and anneal simulation, we study in this paper the self-trapped magnetic polaron (STMP) in two-dimensional anti-ferromagnetic material and the bound magnetic polaron (BMP) in ferromagnetic material. Schwinger angular momentum theory is applied to changing the problem into a coupling problem of carriers and two types of Bosons. Our calculation shows that there are single-peak and multi-peak structures in the two-dimensional STMP. For the ferromagnetic material, the properties of the two-dimensional BMP are almost the same as that in one-dimensional case; but for the anti-ferromagnetic material, the two-dimensional STMP structure is much richer than the one-dimensional case.
UPWIND DISCONTINUOUS GALERKIN METHODS FOR TWO DIMENSIONAL NEUTRON TRANSPORT EQUATIONS
Institute of Scientific and Technical Information of China (English)
袁光伟; 沈智军; 闫伟
2003-01-01
In this paper the upwind discontinuous Galerkin methods with triangle meshes for two dimensional neutron transport equations will be studied.The stability for both of the semi-discrete and full-discrete method will be proved.
Two-Dimensionally-Modulated, Magnetic Structure of Neodymium Metal
DEFF Research Database (Denmark)
Lebech, Bente; Bak, P.
1979-01-01
The incipient magnetic order of dhcp Nd is described by a two-dimensional, incommensurably modulated structure ("triple-q" structure). The ordering is accompanied by a lattice distortion that forms a similar pattern....
Entanglement Entropy for time dependent two dimensional holographic superconductor
Mazhari, N S; Myrzakulov, Kairat; Myrzakulov, R
2016-01-01
We studied entanglement entropy for a time dependent two dimensional holographic superconductor. We showed that the conserved charge of the system plays the role of the critical parameter to have condensation.
Decoherence in a Landau Quantized Two Dimensional Electron Gas
Directory of Open Access Journals (Sweden)
McGill Stephen A.
2013-03-01
Full Text Available We have studied the dynamics of a high mobility two-dimensional electron gas as a function of temperature. The presence of satellite reflections in the sample and magnet can be modeled in the time-domain.
Quantization of Two-Dimensional Gravity with Dynamical Torsion
Lavrov, P M
1999-01-01
We consider two-dimensional gravity with dynamical torsion in the Batalin - Vilkovisky and Batalin - Lavrov - Tyutin formalisms of gauge theories quantization as well as in the background field method.
Spatiotemporal dissipative solitons in two-dimensional photonic lattices.
Mihalache, Dumitru; Mazilu, Dumitru; Lederer, Falk; Kivshar, Yuri S
2008-11-01
We analyze spatiotemporal dissipative solitons in two-dimensional photonic lattices in the presence of gain and loss. In the framework of the continuous-discrete cubic-quintic Ginzburg-Landau model, we demonstrate the existence of novel classes of two-dimensional spatiotemporal dissipative lattice solitons, which also include surface solitons located in the corners or at the edges of the truncated two-dimensional photonic lattice. We find the domains of existence and stability of such spatiotemporal dissipative solitons in the relevant parameter space, for both on-site and intersite lattice solitons. We show that the on-site solitons are stable in the whole domain of their existence, whereas most of the intersite solitons are unstable. We describe the scenarios of the instability-induced dynamics of dissipative solitons in two-dimensional lattices.
Bound states of two-dimensional relativistic harmonic oscillators
Institute of Scientific and Technical Information of China (English)
Qiang Wen-Chao
2004-01-01
We give the exact normalized bound state wavefunctions and energy expressions of the Klein-Gordon and Dirac equations with equal scalar and vector harmonic oscillator potentials in the two-dimensional space.
A two-dimensional polymer prepared by organic synthesis.
Kissel, Patrick; Erni, Rolf; Schweizer, W Bernd; Rossell, Marta D; King, Benjamin T; Bauer, Thomas; Götzinger, Stephan; Schlüter, A Dieter; Sakamoto, Junji
2012-02-05
Synthetic polymers are widely used materials, as attested by a production of more than 200 millions of tons per year, and are typically composed of linear repeat units. They may also be branched or irregularly crosslinked. Here, we introduce a two-dimensional polymer with internal periodicity composed of areal repeat units. This is an extension of Staudinger's polymerization concept (to form macromolecules by covalently linking repeat units together), but in two dimensions. A well-known example of such a two-dimensional polymer is graphene, but its thermolytic synthesis precludes molecular design on demand. Here, we have rationally synthesized an ordered, non-equilibrium two-dimensional polymer far beyond molecular dimensions. The procedure includes the crystallization of a specifically designed photoreactive monomer into a layered structure, a photo-polymerization step within the crystal and a solvent-induced delamination step that isolates individual two-dimensional polymers as free-standing, monolayered molecular sheets.
Second invariant for two-dimensional classical super systems
Indian Academy of Sciences (India)
S C Mishra; Roshan Lal; Veena Mishra
2003-10-01
Construction of superpotentials for two-dimensional classical super systems (for ≥ 2) is carried out. Some interesting potentials have been studied in their super form and also their integrability.
Extreme paths in oriented two-dimensional percolation
Andjel, E. D.; Gray, L. F.
2016-01-01
International audience; A useful result about leftmost and rightmost paths in two dimensional bond percolation is proved. This result was introduced without proof in \\cite{G} in the context of the contact process in continuous time. As discussed here, it also holds for several related models, including the discrete time contact process and two dimensional site percolation. Among the consequences are a natural monotonicity in the probability of percolation between different sites and a somewha...
Two Dimensional Nucleation Process by Monte Carlo Simulation
T., Irisawa; K., Matsumoto; Y., Arima; T., Kan; Computer Center, Gakushuin University; Department of Physics, Gakushuin University
1997-01-01
Two dimensional nucleation process on substrate is investigated by Monte Carlo simulation, and the critical nucleus size and its waiting time are measured with a high accuracy. In order to measure the critical nucleus with a high accuracy, we calculate the attachment and the detachment rate to the nucleus directly, and define the critical nucleus size when both rate are equal. Using the kinematical nucleation theory by Nishioka, it is found that, our obtained kinematical two dimensional criti...
Controlled Interactions between Two Dimensional Layered Inorganic Nanosheets and Polymers
2016-06-15
polymers . 2. Introduction . Research objectives: This research aims to study the physical (van der Waals forces: crystal epitaxy and π-π...AFRL-AFOSR-JP-TR-2016-0071 Controlled Interactions between Two Dimensional Layered Inorganic Nanosheets and Polymers Cheolmin Park YONSEI UNIVERSITY...Interactions between Two Dimensional Layered Inorganic Nanosheets and Polymers 5a. CONTRACT NUMBER 5b. GRANT NUMBER FA2386-14-1-4054 5c. PROGRAM ELEMENT
Two-Dimensional Weak Pseudomanifolds on Eight Vertices
Indian Academy of Sciences (India)
Basudeb Datta; Nandini Nilakantan
2002-05-01
We explicitly determine all the two-dimensional weak pseudomanifolds on 8 vertices. We prove that there are (up to isomorphism) exactly 95 such weak pseudomanifolds, 44 of which are combinatorial 2-manifolds. These 95 weak pseudomanifolds triangulate 16 topological spaces. As a consequence, we prove that there are exactly three 8-vertex two-dimensional orientable pseudomanifolds which allow degree three maps to the 4-vertex 2-sphere.
Two-Dimensional Materials for Sensing: Graphene and Beyond
Directory of Open Access Journals (Sweden)
Seba Sara Varghese
2015-09-01
Full Text Available Two-dimensional materials have attracted great scientific attention due to their unusual and fascinating properties for use in electronics, spintronics, photovoltaics, medicine, composites, etc. Graphene, transition metal dichalcogenides such as MoS2, phosphorene, etc., which belong to the family of two-dimensional materials, have shown great promise for gas sensing applications due to their high surface-to-volume ratio, low noise and sensitivity of electronic properties to the changes in the surroundings. Two-dimensional nanostructured semiconducting metal oxide based gas sensors have also been recognized as successful gas detection devices. This review aims to provide the latest advancements in the field of gas sensors based on various two-dimensional materials with the main focus on sensor performance metrics such as sensitivity, specificity, detection limit, response time, and reversibility. Both experimental and theoretical studies on the gas sensing properties of graphene and other two-dimensional materials beyond graphene are also discussed. The article concludes with the current challenges and future prospects for two-dimensional materials in gas sensor applications.
Two-dimensional materials for novel liquid separation membranes
Ying, Yulong; Yang, Yefeng; Ying, Wen; Peng, Xinsheng
2016-08-01
Demand for a perfect molecular-level separation membrane with ultrafast permeation and a robust mechanical property for any kind of species to be blocked in water purification and desalination is urgent. In recent years, due to their intrinsic characteristics, such as a unique mono-atom thick structure, outstanding mechanical strength and excellent flexibility, as well as facile and large-scale production, graphene and its large family of two-dimensional (2D) materials are regarded as ideal membrane materials for ultrafast molecular separation. A perfect separation membrane should be as thin as possible to maximize its flux, mechanically robust and without failure even if under high loading pressure, and have a narrow nanochannel size distribution to guarantee its selectivity. The latest breakthrough in 2D material-based membranes will be reviewed both in theories and experiments, including their current state-of-the-art fabrication, structure design, simulation and applications. Special attention will be focused on the designs and strategies employed to control microstructures to enhance permeation and selectivity for liquid separation. In addition, critical views on the separation mechanism within two-dimensional material-based membranes will be provided based on a discussion of the effects of intrinsic defects during growth, predefined nanopores and nanochannels during subsequent fabrication processes, the interlayer spacing of stacking 2D material flakes and the surface charge or functional groups. Furthermore, we will summarize the significant progress of these 2D material-based membranes for liquid separation in nanofiltration/ultrafiltration and pervaporation. Lastly, we will recall issues requiring attention, and discuss existing questionable conclusions in some articles and emerging challenges. This review will serve as a valuable platform to provide a compact source of relevant and timely information about the development of 2D material-based membranes as
Lin, Tai-Hua; Schott, Matthias; Valderanis, Chrysostomos; Wehner, Laura; Westenberger, Robert
2014-01-01
In recent years, micropattern gaseous detectors, which comprise a two-dimensional readout structure within one PCB layer, received significant attention in the development of precision and cost-effective tracking detectors in medium and high energy physics experiments. In this article, we present for the first time a systematic performance study of the signal characteristics of a resistive strip micromegas detector with a two-dimensional readout, based on test-beam and X-ray measurements. In particular, comparisons of the response of the two independent readout-layers regarding their signal shapes and signal reconstruction efficiencies are discussed.
Imaging hemodynamic changes in preterm infant brains with two-dimensional diffuse optical tomography
Gao, Feng; Ma, Yiwen; Yang, Fang; Zhao, Huijuan; Jiang, Jingying; Kusaka, Takashi; Ueno, Masanori; Yamada, Yukio
2008-02-01
We present our preliminary results on two-dimensional (2-D) optical tomographic imaging of hemodynamic changes of two preterm infant brains in different ventilation settings conditions. The investigations use the established two-wavelength, 16-channel time-correlated single photon counting system for the detection, and the generalized pulse spectrum technique based algorithm for the image reconstruction. The experiments demonstrate that two-dimensional diffuse optical tomography may be a potent and relatively simple way of investigating the functions and neural development of infant brains in the perinatal period.
The nonlinear optical response of a two-dimensional atomic crystal
Merano, Michele
2015-01-01
The theory of Bloembergen and Persham for the light waves at the boundary of nonlinear media is applied to a nonlinear two-dimensional atomic crystal placed in between linear bulk media. The crystal is treated as a zero-thickness interface, a real two-dimensional system. Harmonic waves emanate from it. Generalization of the laws of reflection and refraction give the direction and the intensity of the harmonic waves. The nonlinear polarization of these special materials is very sensitive to the substrate on which they are deposited. Experiments on second harmonic generation of a $\\rm MoS_{2}$ monolayer are discussed to elucidate this point.
Directory of Open Access Journals (Sweden)
S. M. Sadatrasoul
2014-01-01
Full Text Available We introduce some generalized quadrature rules to approximate two-dimensional, Henstock integral of fuzzy-number-valued functions. We also give error bounds for mappings of bounded variation in terms of uniform modulus of continuity. Moreover, we propose an iterative procedure based on quadrature formula to solve two-dimensional linear fuzzy Fredholm integral equations of the second kind (2DFFLIE2, and we present the error estimation of the proposed method. Finally, some numerical experiments confirm the theoretical results and illustrate the accuracy of the method.
Theoretical and experimental study of the normal modes in a coupled two-dimensional system
Giménez, Marcos H; Gómez-Tejedor, José Antonio; Velazquez, Luisberis; Monsoriu, Juan A
2016-01-01
In this work, the normal modes of a two-dimensional oscillating system have been studied from a theoretical and experimental point of view. The normal frequencies predicted by the Hessian matrix for a coupled two-dimensional particle system are compared to those obtained for a real system consisting of two oscillating smartphones coupled one to the other by springs. Experiments are performed on an air table in order to remove the friction forces. The oscillation data are captured by the acceleration sensor of the smartphones and exported to file for further analysis. The experimental frequencies compare reasonably well with the theoretical predictions, namely, within 1.7 % of discrepancy.
Statics of the two-dimensional mixed state in hollow, type I superconductors
Holguin, E.; Robin, D.; Rothen, F.; Rinderer, L.; Posada, E.
1982-07-01
A theoretical and experimental study of the statics of the two-dimensional mixed state in hollow, type I superconductors of pure tin has been made without considering thermal or other effects. In the experiments, this state could be moved into the interior of the sample by a magnetic field produced by a current flowing in a coaxial wire placed in the hole. This study shows that the current-voltage characteristics can present horizontal segments as well as discontinuities accompanying the appearance or disappearance of the superconducting, normal, or two-dimensional mixed state domains. Within the experimental error, the agreement between the calculated values and the experimental results is quite good.
Theory of two-dimensional ESR with nuclear modulation
Gamliel, Dan; Freed, Jack H.
A formalism for computing 2D ESR lineshapes with nuclear modulation is developed in a form which is useful for planning phase cycles for particular purposes. A simple method of processing spectra, utilizing quadrature detection, is shown to enhance the selectivity of the phase cycling techniques. Computed ESR-COSY, ESR-SECSY, and 2D ELDOR lineshapes are presented for several kinds of polycrystalline and single-crystal samples which exhibit nuclear modulation, due to one or several nuclei. The two-dimensional methods are found to give more detailed structural information than the corresponding ESEEM spectra. New phase cycles are found to eliminate completely all transverse and axial peaks in 2D ELDOR and in ESR-COSY, and at the same time eliminate all artifacts arising from incomplete image rejection. Other phase cycles are presented for selecting in those experiments only axial peaks, for measuring T1. It is also shown how selective phase cycles may help to distinguish between coherent and exchange cross peaks. In the special case of nitroxides in typical Zeeman fields, there are no significant nuclear modulation effects from the 14N nuclear spin interaction, but those from the protons (or deuterons) will, in general, be significant.
Two dimensional electron spin resonance: Structure and dynamics of biomolecules
Saxena, Sunil; Freed, Jack H.
1998-03-01
The potential of two dimensional (2D) electron spin resonance (ESR) for measuring the structural properties and slow dynamics of labeled biomolecules will be presented. Specifically, it will be shown how the recently developed method of double quantum (DQ) 2D ESR (S. Saxena and J. H. Freed, J. Chem. Phys. 107), 1317, (1997) can be used to measure large interelectron distances in bilabeled peptides. The need for DQ ESR spectroscopy, as well as the challenges and advantages of this method will be discussed. The elucidation of the slow reorientational dynamics of this peptide (S. Saxena and J. H. Freed, J. Phys. Chem. A, 101) 7998 (1997) in a glassy medium using COSY and 2D ELDOR ESR spectroscopy will be demonstrated. The contributions to the homogeneous relaxation time, T_2, from the overall and/or internal rotations of the nitroxide can be distinguished from the COSY spectrum. The growth of spectral diffusion cross-peaks^2 with mixing time in the 2D ELDOR spectra can be used to directly determine a correlation time from the experiment which can be related to the rotational correlation time.
Two dimensional simulation of high power laser-surface interaction
Energy Technology Data Exchange (ETDEWEB)
Goldman, S.R.; Wilke, M.D.; Green, R.E.L.; Johnson, R.P. [Los Alamos National Lab., NM (United States); Busch, G.E. [KMS Fusion, Inc., Ann Arbor, MI (United States)
1998-08-01
For laser intensities in the range of 10{sup 8}--10{sup 9} W/cm{sup 2}, and pulse lengths of order 10 {micro}sec or longer, the authors have modified the inertial confinement fusion code Lasnex to simulate gaseous and some dense material aspects of the laser-matter interaction. The unique aspect of their treatment consists of an ablation model which defines a dense material-vapor interface and then calculates the mass flow across this interface. The model treats the dense material as a rigid two-dimensional mass and heat reservoir suppressing all hydrodynamic motion in the dense material. The computer simulations and additional post-processors provide predictions for measurements including impulse given to the target, pressures at the target interface, electron temperatures and densities in the vapor-plasma plume region, and emission of radiation from the target. The authors will present an analysis of some relatively well diagnosed experiments which have been useful in developing their modeling. The simulations match experimentally obtained target impulses, pressures at the target surface inside the laser spot, and radiation emission from the target to within about 20%. Hence their simulational technique appears to form a useful basis for further investigation of laser-surface interaction in this intensity, pulse-width range. This work is useful in many technical areas such as materials processing.
Two-dimensional screening of the Wageningen chicken BAC library.
Crooijmans, R P; Vrebalov, J; Dijkhof, R J; van der Poel, J J; Groenen, M A
2000-05-01
We have constructed a Bacterial Artificial Chromosome (BAC) library that provides 5.5-fold redundant coverage of the chicken genome. The library was made by cloning partial HindIII-digested high-molecular-weight (HMW) DNA of a female White Leghorn chicken into the HindIII site of the vector pECBAC1. Several modifications of standard protocols were necessary to clone efficiently large partial HindIII DNA fragments. The library consists of 49,920 clones arranged in 130 384-well plates. An average insert size of 134 kb was estimated from the analysis of 152 randomly selected BAC clones. The average number of NotI restriction sites per clone was 0.77. After individual growth, DNA was isolated of the pooled clones of each 384-well plate, and subsequently DNA of each plate was isolated from the individual row and column pools. Screening of the Wageningen chicken BAC library was performed by two-dimensional PCR with 125 microsatellite markers. For 124 markers at least one BAC clone was obtained. FISH experiments of 108 BAC clones revealed chimerism in less than 1%. The number of different BAC clones per marker present in the BAC library was examined for 35 markers which resulted in a total of 167 different BAC clones. Per marker the number of BAC clones varied from 1 to 11, with an average of 4.77. The chicken BAC library constitutes an invaluable tool for positional cloning and for comparative mapping studies.
Flow of foams in two-dimensional disordered porous media
Dollet, Benjamin; Geraud, Baudouin; Jones, Sian A.; Meheust, Yves; Cantat, Isabelle; Institut de Physique de Rennes Team; Geosciences Rennes Team
2015-11-01
Liquid foams are a yield stress fluid with elastic properties. When a foam flow is confined by solid walls, viscous dissipation arises from the contact zones between soap films and walls, giving very peculiar friction laws. In particular, foams potentially invade narrow pores much more efficiently than Newtonian fluids, which is of great importance for enhanced oil recovery. To quantify this effect, we study experimentally flows of foam in a model two-dimensional porous medium, consisting of an assembly of circular obstacles placed randomly in a Hele-Shaw cell, and use image analysis to quantify foam flow at the local scale. We show that bubbles split as they flow through the porous medium, by a mechanism of film pinching during contact with an obstacle, yielding two daughter bubbles per split bubble. We quantify the evolution of the bubble size distribution as a function of the distance along the porous medium, the splitting probability as a function of bubble size, and the probability distribution function of the daughter bubbles. We propose an evolution equation to model this splitting phenomenon and compare it successfully to the experiments, showing how at long distance, the porous medium itself dictates the size distribution of the foam.
How two-dimensional bending can extraordinarily stiffen thin sheets
Pini, V.; Ruz, J. J.; Kosaka, P. M.; Malvar, O.; Calleja, M.; Tamayo, J.
2016-07-01
Curved thin sheets are ubiquitously found in nature and manmade structures from macro- to nanoscale. Within the framework of classical thin plate theory, the stiffness of thin sheets is independent of its bending state for small deflections. This assumption, however, goes against intuition. Simple experiments with a cantilever sheet made of paper show that the cantilever stiffness largely increases with small amounts of transversal curvature. We here demonstrate by using simple geometric arguments that thin sheets subject to two-dimensional bending necessarily develop internal stresses. The coupling between the internal stresses and the bending moments can increase the stiffness of the plate by several times. We develop a theory that describes the stiffness of curved thin sheets with simple equations in terms of the longitudinal and transversal curvatures. The theory predicts experimental results with a macroscopic cantilever sheet as well as numerical simulations by the finite element method. The results shed new light on plant and insect wing biomechanics and provide an easy route to engineer micro- and nanomechanical structures based on thin materials with extraordinary stiffness tunability.
Thorneywork, Alice L; Roth, Roland; Aarts, Dirk G A L; Dullens, Roel P A
2014-04-28
Two-dimensional hard disks are a fundamentally important many-body model system in classical statistical mechanics. Despite their significance, a comprehensive experimental data set for two-dimensional single component and binary hard disks is lacking. Here, we present a direct comparison between the full set of radial distribution functions and the contact values of a two-dimensional binary colloidal hard sphere model system and those calculated using fundamental measure theory. We find excellent quantitative agreement between our experimental data and theoretical predictions for both single component and binary hard disk systems. Our results provide a unique and fully quantitative mapping between experiments and theory, which is crucial in establishing the fundamental link between structure and dynamics in simple liquids and glass forming systems.
Absolute negative conductivity in two-dimensional electron systems under microwave radiation
Ryzhii, Victor
2004-01-01
We overview mechanisms of absolute negative conductivity in two-dimensional electron systems in a magnetic field irradiated with microwaves and provide plausible explanations of the features observed in recent experiments related to the so-called zero-resistance (zero-conductance) states.
Non-Linear Non Stationary Analysis of Two-Dimensional Time-Series Applied to GRACE Data Project
National Aeronautics and Space Administration — The proposed innovative two-dimensional (2D) adaptive analysis will be tested NASA's Gravity Recovery and Climate Experiment (GRACE) mission database in phase I in...
Non-Linear Non Stationary Analysis of Two-Dimensional Time-Series Applied to GRACE Data Project
National Aeronautics and Space Administration — The proposed innovative two-dimensional (2D) empirical mode decomposition (EMD) analysis was applied to NASA's Gravity Recovery and Climate Experiment (GRACE)...
A Toolbox of Solid-State NMR Experiments for the Characterization of Soft Organic Nanomaterials
Straasø, Lasse Arnt
2016-02-02
Determining how organic molecules self-assemble into a solid material is a challenging and demanding task if a single crystal of the material cannot be produced. Solid-state NMR spectroscopy offers access to such molecular details via an appropriate selection of techniques. This report gives a selected overview of 1D and 2D solid-state NMR techniques for elucidating the structure of soft organic solids. We focus on how the solid-state NMR techniques are designed from the perspective of the different nuclear interactions, using average Hamiltonian theory and product operators. We also introduce recent methods for quantification and reduction of experimental artifacts. Finally, we highlight how the solid-state NMR techniques can be applied to soft organic materials by reviewing recent applications to semicrystalline polymers, π-conjugated polymers, natural silk, and graphene-related materials.
Tracking dynamics of two-dimensional continuous attractor neural networks
Fung, C. C. Alan; Wong, K. Y. Michael; Wu, Si
2009-12-01
We introduce an analytically solvable model of two-dimensional continuous attractor neural networks (CANNs). The synaptic input and the neuronal response form Gaussian bumps in the absence of external stimuli, and enable the network to track external stimuli by its translational displacement in the two-dimensional space. Basis functions of the two-dimensional quantum harmonic oscillator in polar coordinates are introduced to describe the distortion modes of the Gaussian bump. The perturbative method is applied to analyze its dynamics. Testing the method by considering the network behavior when the external stimulus abruptly changes its position, we obtain results of the reaction time and the amplitudes of various distortion modes, with excellent agreement with simulation results.
Electronics and optoelectronics of two-dimensional transition metal dichalcogenides.
Wang, Qing Hua; Kalantar-Zadeh, Kourosh; Kis, Andras; Coleman, Jonathan N; Strano, Michael S
2012-11-01
The remarkable properties of graphene have renewed interest in inorganic, two-dimensional materials with unique electronic and optical attributes. Transition metal dichalcogenides (TMDCs) are layered materials with strong in-plane bonding and weak out-of-plane interactions enabling exfoliation into two-dimensional layers of single unit cell thickness. Although TMDCs have been studied for decades, recent advances in nanoscale materials characterization and device fabrication have opened up new opportunities for two-dimensional layers of thin TMDCs in nanoelectronics and optoelectronics. TMDCs such as MoS(2), MoSe(2), WS(2) and WSe(2) have sizable bandgaps that change from indirect to direct in single layers, allowing applications such as transistors, photodetectors and electroluminescent devices. We review the historical development of TMDCs, methods for preparing atomically thin layers, their electronic and optical properties, and prospects for future advances in electronics and optoelectronics.
Hamiltonian formalism of two-dimensional Vlasov kinetic equation.
Pavlov, Maxim V
2014-12-08
In this paper, the two-dimensional Benney system describing long wave propagation of a finite depth fluid motion and the multi-dimensional Russo-Smereka kinetic equation describing a bubbly flow are considered. The Hamiltonian approach established by J. Gibbons for the one-dimensional Vlasov kinetic equation is extended to a multi-dimensional case. A local Hamiltonian structure associated with the hydrodynamic lattice of moments derived by D. J. Benney is constructed. A relationship between this hydrodynamic lattice of moments and the two-dimensional Vlasov kinetic equation is found. In the two-dimensional case, a Hamiltonian hydrodynamic lattice for the Russo-Smereka kinetic model is constructed. Simple hydrodynamic reductions are presented.
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.
A two-dimensional spin liquid in quantum kagome ice.
Carrasquilla, Juan; Hao, Zhihao; Melko, Roger G
2015-06-22
Actively sought since the turn of the century, two-dimensional quantum spin liquids (QSLs) are exotic phases of matter where magnetic moments remain disordered even at zero temperature. Despite ongoing searches, QSLs remain elusive, due to a lack of concrete knowledge of the microscopic mechanisms that inhibit magnetic order in materials. Here we study a model for a broad class of frustrated magnetic rare-earth pyrochlore materials called quantum spin ices. When subject to an external magnetic field along the [111] crystallographic direction, the resulting interactions contain a mix of geometric frustration and quantum fluctuations in decoupled two-dimensional kagome planes. Using quantum Monte Carlo simulations, we identify a set of interactions sufficient to promote a groundstate with no magnetic long-range order, and a gap to excitations, consistent with a Z2 spin liquid phase. This suggests an experimental procedure to search for two-dimensional QSLs within a class of pyrochlore quantum spin ice materials.
Spectral Radiative Properties of Two-Dimensional Rough Surfaces
Xuan, Yimin; Han, Yuge; Zhou, Yue
2012-12-01
Spectral radiative properties of two-dimensional rough surfaces are important for both academic research and practical applications. Besides material properties, surface structures have impact on the spectral radiative properties of rough surfaces. Based on the finite difference time domain algorithm, this paper studies the spectral energy propagation process on a two-dimensional rough surface and analyzes the effect of different factors such as the surface structure, angle, and polarization state of the incident wave on the spectral radiative properties of the two-dimensional rough surface. To quantitatively investigate the spatial distribution of energy reflected from the rough surface, the concept of the bidirectional reflectance distribution function is introduced. Correlation analysis between the reflectance and different impact factors is conducted to evaluate the influence degree. Comparison between the theoretical and experimental data is given to elucidate the accuracy of the computational code. This study is beneficial to optimizing the surface structures of optoelectronic devices such as solar cells.
Two dimensional convolute integers for machine vision and image recognition
Edwards, Thomas R.
1988-01-01
Machine vision and image recognition require sophisticated image processing prior to the application of Artificial Intelligence. Two Dimensional Convolute Integer Technology is an innovative mathematical approach for addressing machine vision and image recognition. This new technology generates a family of digital operators for addressing optical images and related two dimensional data sets. The operators are regression generated, integer valued, zero phase shifting, convoluting, frequency sensitive, two dimensional low pass, high pass and band pass filters that are mathematically equivalent to surface fitted partial derivatives. These operators are applied non-recursively either as classical convolutions (replacement point values), interstitial point generators (bandwidth broadening or resolution enhancement), or as missing value calculators (compensation for dead array element values). These operators show frequency sensitive feature selection scale invariant properties. Such tasks as boundary/edge enhancement and noise or small size pixel disturbance removal can readily be accomplished. For feature selection tight band pass operators are essential. Results from test cases are given.
Optical modulators with two-dimensional layered materials
Sun, Zhipei; Wang, Feng
2016-01-01
Light modulation is an essential operation in photonics and optoelectronics. With existing and emerging technologies increasingly demanding compact, efficient, fast and broadband optical modulators, high-performance light modulation solutions are becoming indispensable. The recent realization that two-dimensional layered materials could modulate light with superior performance has prompted intense research and significant advances, paving the way for realistic applications. In this review, we cover the state-of-the-art of optical modulators based on two-dimensional layered materials including graphene, transition metal dichalcogenides and black phosphorus. We discuss recent advances employing hybrid structures, such as two-dimensional heterostructures, plasmonic structures, and silicon/fibre integrated structures. We also take a look at future perspectives and discuss the potential of yet relatively unexplored mechanisms such as magneto-optic and acousto-optic modulation.
Fiala, Radovan; Sklenár, Vladimír
2007-10-01
The paper presents a set of two-dimensional experiments that utilize direct (13)C detection to provide proton-carbon, carbon-carbon and carbon-nitrogen correlations in the bases of nucleic acids. The set includes a (13)C-detected proton-carbon correlation experiment for the measurement of (13)C-(13)C couplings, the CaCb experiment for correlating two quaternary carbons, the HCaCb experiment for the (13)C-(13)C correlations in cases where one of the carbons has a proton attached, the HCC-TOCSY experiment for correlating a proton with a network of coupled carbons, and a (13)C-detected (13)C-(15)N correlation experiment for detecting the nitrogen nuclei that cannot be detected via protons. The IPAP procedure is used for extracting the carbon-carbon couplings and/or carbon decoupling in the direct dimension, while the S(3)E procedure is preferred in the indirect dimension of the carbon-nitrogen experiment to obtain the value of the coupling constant. The experiments supply accurate values of (13)C and (15)N chemical shifts and carbon-carbon and carbon-nitrogen coupling constants. These values can help to reveal structural features of nucleic acids either directly or via induced changes when the sample is dissolved in oriented media.
Image interpolation by two-dimensional parametric cubic convolution.
Shi, Jiazheng; Reichenbach, Stephen E
2006-07-01
Cubic convolution is a popular method for image interpolation. Traditionally, the piecewise-cubic kernel has been derived in one dimension with one parameter and applied to two-dimensional (2-D) images in a separable fashion. However, images typically are statistically nonseparable, which motivates this investigation of nonseparable cubic convolution. This paper derives two new nonseparable, 2-D cubic-convolution kernels. The first kernel, with three parameters (designated 2D-3PCC), is the most general 2-D, piecewise-cubic interpolator defined on [-2, 2] x [-2, 2] with constraints for biaxial symmetry, diagonal (or 90 degrees rotational) symmetry, continuity, and smoothness. The second kernel, with five parameters (designated 2D-5PCC), relaxes the constraint of diagonal symmetry, based on the observation that many images have rotationally asymmetric statistical properties. This paper also develops a closed-form solution for determining the optimal parameter values for parametric cubic-convolution kernels with respect to ensembles of scenes characterized by autocorrelation (or power spectrum). This solution establishes a practical foundation for adaptive interpolation based on local autocorrelation estimates. Quantitative fidelity analyses and visual experiments indicate that these new methods can outperform several popular interpolation methods. An analysis of the error budgets for reconstruction error associated with blurring and aliasing illustrates that the methods improve interpolation fidelity for images with aliased components. For images with little or no aliasing, the methods yield results similar to other popular methods. Both 2D-3PCC and 2D-5PCC are low-order polynomials with small spatial support and so are easy to implement and efficient to apply.
Two-dimensional superconductors with atomic-scale thickness
Uchihashi, Takashi
2017-01-01
Recent progress in two-dimensional superconductors with atomic-scale thickness is reviewed mainly from the experimental point of view. The superconducting systems treated here involve a variety of materials and forms: elemental metal ultrathin films and atomic layers on semiconductor surfaces; interfaces and superlattices of heterostructures made of cuprates, perovskite oxides, and rare-earth metal heavy-fermion compounds; interfaces of electric-double-layer transistors; graphene and atomic sheets of transition metal dichalcogenide; iron selenide and organic conductors on oxide and metal surfaces, respectively. Unique phenomena arising from the ultimate two dimensionality of the system and the physics behind them are discussed.
TreePM Method for Two-Dimensional Cosmological Simulations
Indian Academy of Sciences (India)
Suryadeep Ray
2004-09-01
We describe the two-dimensional TreePM method in this paper. The 2d TreePM code is an accurate and efficient technique to carry out large two-dimensional N-body simulations in cosmology. This hybrid code combines the 2d Barnes and Hut Tree method and the 2d Particle–Mesh method. We describe the splitting of force between the PM and the Tree parts. We also estimate error in force for a realistic configuration. Finally, we discuss some tests of the code.
Singular analysis of two-dimensional bifurcation system
Institute of Scientific and Technical Information of China (English)
无
2010-01-01
Bifurcation properties of two-dimensional bifurcation system are studied in this paper.Universal unfolding and transition sets of the bifurcation equations are obtained.The whole parametric plane is divided into several different persistent regions according to the type of motion,and the different qualitative bifurcation diagrams in different persistent regions are given.The bifurcation properties of the two-dimensional bifurcation system are compared with its reduced one-dimensional system.It is found that the system which is reduced to one dimension has lost many bifurcation properties.
Critical Behaviour of a Two-Dimensional Random Antiferromagnet
DEFF Research Database (Denmark)
Als-Nielsen, Jens Aage; Birgeneau, R. J.; Guggenheim, H. J.
1976-01-01
A neutron scattering study of the order parameter, correlation length and staggered susceptibility of the two-dimensional random antiferromagnet Rb2Mn0.5Ni0.5F4 is reported. The system is found to exhibit a well-defined phase transition with critical exponents identical to those of the isomorphou...... pure materials K2NiF4 and K2MnF4. Thus, in these systems, which have the asymptotic critical behaviour of the two-dimensional Ising model, randomness has no measurable effect on the phase-transition behaviour....
Nonlinear excitations in two-dimensional molecular structures with impurities
DEFF Research Database (Denmark)
Gaididei, Yuri Borisovich; Rasmussen, Kim; Christiansen, Peter Leth
1995-01-01
We study the nonlinear dynamics of electronic excitations interacting with acoustic phonons in two-dimensional molecular structures with impurities. We show that the problem is reduced to the nonlinear Schrodinger equation with a varying coefficient. The latter represents the influence of the imp......We study the nonlinear dynamics of electronic excitations interacting with acoustic phonons in two-dimensional molecular structures with impurities. We show that the problem is reduced to the nonlinear Schrodinger equation with a varying coefficient. The latter represents the influence...... excitations. Analytical results are in good agreement with numerical simulations of the nonlinear Schrodinger equation....
Vortices in the Two-Dimensional Simple Exclusion Process
Bodineau, T.; Derrida, B.; Lebowitz, Joel L.
2008-06-01
We show that the fluctuations of the partial current in two dimensional diffusive systems are dominated by vortices leading to a different scaling from the one predicted by the hydrodynamic large deviation theory. This is supported by exact computations of the variance of partial current fluctuations for the symmetric simple exclusion process on general graphs. On a two-dimensional torus, our exact expressions are compared to the results of numerical simulations. They confirm the logarithmic dependence on the system size of the fluctuations of the partial flux. The impact of the vortices on the validity of the fluctuation relation for partial currents is also discussed in an Appendix.
Two-dimensional hazard estimation for longevity analysis
DEFF Research Database (Denmark)
Fledelius, Peter; Guillen, M.; Nielsen, J.P.
2004-01-01
the two-dimensional mortality surface. Furthermore we look at aggregated synthetic population metrics as 'population life expectancy' and 'population survival probability'. For Danish women these metrics indicate decreasing mortality with respect to chronological time. The metrics can not directly be used......We investigate developments in Danish mortality based on data from 1974-1998 working in a two-dimensional model with chronological time and age as the two dimensions. The analyses are done with non-parametric kernel hazard estimation techniques. The only assumption is that the mortality surface...... for analysis of economic implications arising from mortality changes....
Field analysis of two-dimensional focusing grating couplers
Borsboom, P.-P.; Frankena, H. J.
1995-05-01
A different technique was developed by which several two-dimensional dielectric optical gratings, consisting 100 or more corrugations, were treated in a numerical reliable approach. The numerical examples that were presented were restricted to gratings made up of sequences of waveguide sections symmetric about the x = 0 plane. The newly developed method was effectively used to investigate the field produced by a two-dimensional focusing grating coupler. Focal-region fields were determined for three symmetrical gratings with 19, 50, and 124 corrugations. For focusing grating coupler with limited length, high-frequency intensity variations were noted in the focal region.
Self-assembly of two-dimensional DNA crystals
Institute of Scientific and Technical Information of China (English)
SONG Cheng; CHEN Yaqing; WEI Shuai; YOU Xiaozeng; XIAO Shoujun
2004-01-01
Self-assembly of synthetic oligonucleotides into two-dimensional lattices presents a 'bottom-up' approach to the fabrication of devices on nanometer scale. We report the design and observation of two-dimensional crystalline forms of DNAs that are composed of twenty-one plane oligonucleotides and one phosphate-modified oligonucleotide. These synthetic sequences are designed to self-assemble into four double-crossover (DX) DNA tiles. The 'sticky ends' of these tiles that associate according to Watson-Crick's base pairing are programmed to build up specific periodic patterns upto tens of microns. The patterned crystals are visualized by the transmission electron microscopy.
Dynamics of vortex interactions in two-dimensional flows
DEFF Research Database (Denmark)
Juul Rasmussen, J.; Nielsen, A.H.; Naulin, V.
2002-01-01
a critical value, a(c). Using the Weiss-field, a(c) is estimated for vortex patches. Introducing an effective radius for vortices with distributed vorticity, we find that 3.3 a(c) ...The dynamics and interaction of like-signed vortex structures in two dimensional flows are investigated by means of direct numerical solutions of the two-dimensional Navier-Stokes equations. Two vortices with distributed vorticity merge when their distance relative to their radius, d/R-0l. is below...
Two-dimensional assignment with merged measurements using Langrangrian relaxation
Briers, Mark; Maskell, Simon; Philpott, Mark
2004-01-01
Closely spaced targets can result in merged measurements, which complicate data association. Such merged measurements violate any assumption that each measurement relates to a single target. As a result, it is not possible to use the auction algorithm in its simplest form (or other two-dimensional assignment algorithms) to solve the two-dimensional target-to-measurement assignment problem. We propose an approach that uses the auction algorithm together with Lagrangian relaxation to incorporate the additional constraints resulting from the presence of merged measurements. We conclude with some simulated results displaying the concepts introduced, and discuss the application of this research within a particle filter context.
Two-dimensional lattice Boltzmann model for magnetohydrodynamics.
Schaffenberger, Werner; Hanslmeier, Arnold
2002-10-01
We present a lattice Boltzmann model for the simulation of two-dimensional magnetohydro dynamic (MHD) flows. The model is an extension of a hydrodynamic lattice Boltzman model with 9 velocities on a square lattice resulting in a model with 17 velocities. Earlier lattice Boltzmann models for two-dimensional MHD used a bidirectional streaming rule. However, the use of such a bidirectional streaming rule is not necessary. In our model, the standard streaming rule is used, allowing smaller viscosities. To control the viscosity and the resistivity independently, a matrix collision operator is used. The model is then applied to the Hartmann flow, giving reasonable results.
Quasinormal frequencies of asymptotically flat two-dimensional black holes
Lopez-Ortega, A
2011-01-01
We discuss whether the minimally coupled massless Klein-Gordon and Dirac fields have well defined quasinormal modes in single horizon, asymptotically flat two-dimensional black holes. To get the result we solve the equations of motion in the massless limit and we also calculate the effective potentials of Schrodinger type equations. Furthermore we calculate exactly the quasinormal frequencies of the Dirac field propagating in the two-dimensional uncharged Witten black hole. We compare our results on its quasinormal frequencies with other already published.
Spin dynamics in a two-dimensional quantum gas
DEFF Research Database (Denmark)
Pedersen, Poul Lindholm; Gajdacz, Miroslav; Deuretzbacher, Frank
2014-01-01
We have investigated spin dynamics in a two-dimensional quantum gas. Through spin-changing collisions, two clouds with opposite spin orientations are spontaneously created in a Bose-Einstein condensate. After ballistic expansion, both clouds acquire ring-shaped density distributions with superimp......We have investigated spin dynamics in a two-dimensional quantum gas. Through spin-changing collisions, two clouds with opposite spin orientations are spontaneously created in a Bose-Einstein condensate. After ballistic expansion, both clouds acquire ring-shaped density distributions...
Institute of Scientific and Technical Information of China (English)
Xu Quan; Tian Qiang
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.
Mapping two-dimensional polar active fluids to two-dimensional soap and one-dimensional sandblasting
Chen, Leiming; Lee, Chiu Fan; Toner, John
2016-07-01
Active fluids and growing interfaces are two well-studied but very different non-equilibrium systems. Each exhibits non-equilibrium behaviour distinct from that of their equilibrium counterparts. Here we demonstrate a surprising connection between these two: the ordered phase of incompressible polar active fluids in two spatial dimensions without momentum conservation, and growing one-dimensional interfaces (that is, the 1+1-dimensional Kardar-Parisi-Zhang equation), in fact belong to the same universality class. This universality class also includes two equilibrium systems: two-dimensional smectic liquid crystals, and a peculiar kind of constrained two-dimensional ferromagnet. We use these connections to show that two-dimensional incompressible flocks are robust against fluctuations, and exhibit universal long-ranged, anisotropic spatio-temporal correlations of those fluctuations. We also thereby determine the exact values of the anisotropy exponent ζ and the roughness exponents χx,y that characterize these correlations.
Report for in-situ 7Li NMR experiment in PNNL Phase -1
Energy Technology Data Exchange (ETDEWEB)
Hu, Jian Zhi [Pacific Northwest National Laboratory
2014-08-19
To understand the detailed local structural evolution, an in-situ 7Li NMR study was performed. An operando identification of the lithium germanide phases under various cycling regimens permitted understanding of the kinetics of phase transition between different structural phases, including the amorphous phases, and how these correlated with capacity retention. Combining data from TEM and in-situ 7Li NMR, we discovered that the phase inter-conversion during cycling was mediated by co-existing amorphous and crystalline phases, and that the high capacity observed was correlated with an over-lithiated lithium germanide phase.
Waiting Time Dynamics in Two-Dimensional Infrared Spectroscopy
Jansen, Thomas L. C.; Knoester, Jasper
We review recent work on the waiting time dynamics of coherent two-dimensional infrared (2DIR) spectroscopy. This dynamics can reveal chemical and physical processes that take place on the femto- and picosecond time scale, which is faster than the time scale that may be probed by, for example,
The partition function of two-dimensional string theory
Dijkgraaf, Robbert; Moore, Gregory; Plesser, Ronen
1993-04-01
We derive a compact and explicit expression for the generating functional of all correlation functions of tachyon operators in two-dimensional string theory. This expression makes manifest relations of the c = 1 system to KP flow nd W 1 + ∞ constraints. Moreover we derive a Kontsevich-Penner integral representation of this generating functional.
The partition function of two-dimensional string theory
Energy Technology Data Exchange (ETDEWEB)
Dijkgraaf, R. (School of Natural Sciences, Inst. for Advanced Study, Princeton, NJ (United States) Dept. of Mathematics, Univ. Amsterdam (Netherlands)); Moore, G.; Plesser, R. (Dept. of Physics, Yale Univ., New Haven, CT (United States))
1993-04-12
We derive a compact and explicit expression for the generating functional of all correlation functions of tachyon operators in two-dimensional string theory. This expression makes manifest relations of the c=1 system to KP flow and W[sub 1+[infinity
Two-Dimensional Electronic Spectroscopy of a Model Dimer System
Directory of Open Access Journals (Sweden)
Prokhorenko V.I.
2013-03-01
Full Text Available Two-dimensional spectra of a dimer were measured to determine the timescale for electronic decoherence at room temperature. Anti-correlated beats in the crosspeaks were observed only during the period corresponding to the measured homogeneous lifetime.
Torque magnetometry studies of two-dimensional electron systems
Schaapman, Maaike Ruth
2004-01-01
This thesis describes a study of the magnetization two-dimensional electron gases (2DEGs). To detect the typically small magnetization, a sensitive magnetometer with optical angular detection was developed. The magnetometer uses a quadrant detector to measure the rotation of the sample. By mounting
Low-frequency scattering from two-dimensional perfect conductors
DEFF Research Database (Denmark)
Hansen, Thorkild; Yaghjian, A.D
1991-01-01
Exact expressions have been obtained for the leading terms in the low-frequency expansions of the far fields scattered from three different types of two-dimensional perfect conductors: a cylinder with finite cross section, a cylindrical bump on an infinite ground plane, and a cylindrical dent...
Two-Dimensional Mesoscale-Ordered Conducting Polymers
Liu, Shaohua; Zhang, Jian; Dong, Renhao; Gordiichuk, Pavlo; Zhang, Tao; Zhuang, Xiaodong; Mai, Yiyong; Liu, Feng; Herrmann, Andreas; Feng, Xinliang
2016-01-01
Despite the availability of numerous two-dimensional (2D) materials with structural ordering at the atomic or molecular level, direct construction of mesoscale-ordered superstructures within a 2D monolayer remains an enormous challenge. Here, we report the synergic manipulation of two types of assem
Piezoelectricity and Piezomagnetism: Duality in two-dimensional checkerboards
Fel, Leonid G.
2002-05-01
The duality approach in two-dimensional two-component regular checkerboards is extended to piezoelectricity and piezomagnetism. The relation between the effective piezoelectric and piezomagnetic moduli is found for a checkerboard with the p6'mm'-plane symmetry group (dichromatic triangle).
Specification of a Two-Dimensional Test Case
DEFF Research Database (Denmark)
Nielsen, Peter Vilhelm
This paper describes the geometry and other boundary conditions for a test case which can be used to test different two-dimensional CFD codes in the lEA Annex 20 work. The given supply opening is large compared with practical openings. Therefore, this geometry will reduce the need for a high number...... of grid points in the wall jet region....
Operator splitting for two-dimensional incompressible fluid equations
Holden, Helge; Karper, Trygve K
2011-01-01
We analyze splitting algorithms for a class of two-dimensional fluid equations, which includes the incompressible Navier-Stokes equations and the surface quasi-geostrophic equation. Our main result is that the Godunov and Strang splitting methods converge with the expected rates provided the initial data are sufficiently regular.
Chaotic dynamics for two-dimensional tent maps
Pumariño, Antonio; Ángel Rodríguez, José; Carles Tatjer, Joan; Vigil, Enrique
2015-02-01
For a two-dimensional extension of the classical one-dimensional family of tent maps, we prove the existence of an open set of parameters for which the respective transformation presents a strange attractor with two positive Lyapounov exponents. Moreover, periodic orbits are dense on this attractor and the attractor supports a unique ergodic invariant probability measure.
Divorticity and dihelicity in two-dimensional hydrodynamics
DEFF Research Database (Denmark)
Shivamoggi, B.K.; van Heijst, G.J.F.; Juul Rasmussen, Jens
2010-01-01
A framework is developed based on the concepts of divorticity B (≡×ω, ω being the vorticity) and dihelicity g (≡vB) for discussing the theoretical structure underlying two-dimensional (2D) hydrodynamics. This formulation leads to the global and Lagrange invariants that could impose significant...
Spin-orbit torques in two-dimensional Rashba ferromagnets
Qaiumzadeh, A.; Duine, R. A.|info:eu-repo/dai/nl/304830127; Titov, M.
2015-01-01
Magnetization dynamics in single-domain ferromagnets can be triggered by a charge current if the spin-orbit coupling is sufficiently strong. We apply functional Keldysh theory to investigate spin-orbit torques in metallic two-dimensional Rashba ferromagnets in the presence of spin-dependent
Numerical blowup in two-dimensional Boussinesq equations
Yin, Zhaohua
2009-01-01
In this paper, we perform a three-stage numerical relay to investigate the finite time singularity in the two-dimensional Boussinesq approximation equations. The initial asymmetric condition is the middle-stage output of a $2048^2$ run, the highest resolution in our study is $40960^2$, and some signals of numerical blowup are observed.
Exact two-dimensional superconformal R symmetry and c extremization.
Benini, Francesco; Bobev, Nikolay
2013-02-08
We uncover a general principle dubbed c extremization, which determines the exact R symmetry of a two-dimensional unitary superconformal field theory with N=(0,2) supersymmetry. To illustrate its utility, we study superconformal theories obtained by twisted compactifications of four-dimensional N=4 super-Yang-Mills theory on Riemann surfaces and construct their gravity duals.
Zero sound in a two-dimensional dipolar Fermi gas
Lu, Z.K.; Matveenko, S.I.; Shlyapnikov, G.V.
2013-01-01
We study zero sound in a weakly interacting two-dimensional (2D) gas of single-component fermionic dipoles (polar molecules or atoms with a large magnetic moment) tilted with respect to the plane of their translational motion. It is shown that the propagation of zero sound is provided by both mean-f
Topology optimization of two-dimensional elastic wave barriers
DEFF Research Database (Denmark)
Van Hoorickx, C.; Sigmund, Ole; Schevenels, M.
2016-01-01
Topology optimization is a method that optimally distributes material in a given design domain. In this paper, topology optimization is used to design two-dimensional wave barriers embedded in an elastic halfspace. First, harmonic vibration sources are considered, and stiffened material is insert...
Non perturbative methods in two dimensional quantum field theory
Abdalla, Elcio; Rothe, Klaus D
1991-01-01
This book is a survey of methods used in the study of two-dimensional models in quantum field theory as well as applications of these theories in physics. It covers the subject since the first model, studied in the fifties, up to modern developments in string theories, and includes exact solutions, non-perturbative methods of study, and nonlinear sigma models.
Thermodynamics of Two-Dimensional Black-Holes
Nappi, Chiara R.; Pasquinucci, Andrea
1992-01-01
We explore the thermodynamics of a general class of two dimensional dilatonic black-holes. A simple prescription is given that allows us to compute the mass, entropy and thermodynamic potentials, with results in agreement with those obtained by other methods, when available.
Influence of index contrast in two dimensional photonic crystal lasers
DEFF Research Database (Denmark)
Jørgensen, Mette Marie; Petersen, Sidsel Rübner; Christiansen, Mads Brøkner;
2010-01-01
The influence of index contrast variations for obtaining single-mode operation and low threshold in dye doped polymer two dimensional photonic crystal (PhC) lasers is investigated. We consider lasers made from Pyrromethene 597 doped Ormocore imprinted with a rectangular lattice PhC having a cavit...
Magnetic order in two-dimensional nanoparticle assemblies
Georgescu, M
2008-01-01
This thesis involves a fundamental study of two-dimensional arrays of magnetic nanoparticles using non-contact Atomic Force Microscopy, Magnetic Force Microscopy, and Atomic Force Spectroscopy. The goal is to acquire a better understanding of the interactions between magnetic nanoparticles and the
Dynamical phase transitions in the two-dimensional ANNNI model
Energy Technology Data Exchange (ETDEWEB)
Barber, M.N.; Derrida, B.
1988-06-01
We study the phase diagram of the two-dimensional anisotropic next-nearest neighbor Ising (ANNNI) model by comparing the time evolution of two distinct spin configurations submitted to the same thermal noise. We clearly se several dynamical transitions between ferromagnetic, paramagnetic, antiphase, and floating phases. These dynamical transitions seem to occur rather close to the transition lines determined previously in the literature.
Two-dimensional static black holes with pointlike sources
Melis, M
2004-01-01
We study the static black hole solutions of generalized two-dimensional dilaton-gravity theories generated by pointlike mass sources, in the hypothesis that the matter is conformally coupled. We also discuss the motion of test particles. Due to conformal coupling, these follow the geodesics of a metric obtained by rescaling the canonical metric with the dilaton.
Magnetic order in two-dimensional nanoparticle assemblies
Georgescu, M
2008-01-01
This thesis involves a fundamental study of two-dimensional arrays of magnetic nanoparticles using non-contact Atomic Force Microscopy, Magnetic Force Microscopy, and Atomic Force Spectroscopy. The goal is to acquire a better understanding of the interactions between magnetic nanoparticles and the r
Two-Dimensional Chirality in Three-Dimensional Chemistry.
Wintner, Claude E.
1983-01-01
The concept of two-dimensional chirality is used to enhance students' understanding of three-dimensional stereochemistry. This chirality is used as a key to teaching/understanding such concepts as enaniotropism, diastereotopism, pseudoasymmetry, retention/inversion of configuration, and stereochemical results of addition to double bonds. (JN)
Field analysis of two-dimensional focusing grating
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 regi
Torque magnetometry studies of two-dimensional electron systems
Schaapman, Maaike Ruth
2004-01-01
This thesis describes a study of the magnetization two-dimensional electron gases (2DEGs). To detect the typically small magnetization, a sensitive magnetometer with optical angular detection was developed. The magnetometer uses a quadrant detector to measure the rotation of the sample. By mounting
Two-Dimensional Mesoscale-Ordered Conducting Polymers
Liu, Shaohua; Zhang, Jian; Dong, Renhao; Gordiichuk, Pavlo; Zhang, Tao; Zhuang, Xiaodong; Mai, Yiyong; Liu, Feng; Herrmann, Andreas; Feng, Xinliang
2016-01-01
Despite the availability of numerous two-dimensional (2D) materials with structural ordering at the atomic or molecular level, direct construction of mesoscale-ordered superstructures within a 2D monolayer remains an enormous challenge. Here, we report the synergic manipulation of two types of
Vibrations of Thin Piezoelectric Shallow Shells: Two-Dimensional Approximation
Indian Academy of Sciences (India)
N Sabu
2003-08-01
In this paper we consider the eigenvalue problem for piezoelectric shallow shells and we show that, as the thickness of the shell goes to zero, the eigensolutions of the three-dimensional piezoelectric shells converge to the eigensolutions of a two-dimensional eigenvalue problem.
Two-dimensional effects in nonlinear Kronig-Penney models
DEFF Research Database (Denmark)
Gaididei, Yuri Borisovich; Christiansen, Peter Leth; Rasmussen, Kim
1997-01-01
An analysis of two-dimensional (2D) effects in the nonlinear Kronig-Penney model is presented. We establish an effective one-dimensional description of the 2D effects, resulting in a set of pseudodifferential equations. The stationary states of the 2D system and their stability is studied...
Forensic potential of comprehensive two-dimensional gas chromatography
Sampat, A.; Lopatka, M.; Sjerps, M.; Vivo-Truyols, G.; Schoenmakers, P.; van Asten, A.
2016-01-01
In this study, the application of comprehensive two-dimensional (2D) gas chromatography (GC × GC) in forensic science is reviewed. The peer-reviewed publications on the forensic use of GC × GC and 2D gas chromatography with mass spectrometric detection (GC × GC-MS) have been studied in detail, not o
Easy interpretation of optical two-dimensional correlation spectra
Lazonder, K.; Pshenichnikov, M.S.; Wiersma, D.A.
2006-01-01
We demonstrate that the value of the underlying frequency-frequency correlation function can be retrieved from a two-dimensional optical correlation spectrum through a simple relationship. The proposed method yields both intuitive clues and a quantitative measure of the dynamics of the system. The t
Two Dimensional F(R) Horava-Lifshitz Gravity
Kluson, J
2016-01-01
We study two-dimensional F(R) Horava-Lifshitz gravity from the Hamiltonian point of view. We determine constraints structure with emphasis on the careful separation of the second class constraints and global first class constraints. We determine number of physical degrees of freedom and also discuss gauge fixing of the global first class constraints.
Localization of Tight Closure in Two-Dimensional Rings
Indian Academy of Sciences (India)
Kamran Divaani-Aazar; Massoud Tousi
2005-02-01
It is shown that tight closure commutes with localization in any two-dimensional ring of prime characteristic if either is a Nagata ring or possesses a weak test element. Moreover, it is proved that tight closure commutes with localization at height one prime ideals in any ring of prime characteristic.
Cryptanalysis of the Two-Dimensional Circulation Encryption Algorithm
Directory of Open Access Journals (Sweden)
Bart Preneel
2005-07-01
Full Text Available We analyze the security of the two-dimensional circulation encryption algorithm (TDCEA, recently published by Chen et al. in this journal. We show that there are several flaws in the algorithm and describe some attacks. We also address performance issues in current cryptographic designs.
New directions in science and technology: two-dimensional crystals
Energy Technology Data Exchange (ETDEWEB)
Neto, A H Castro [Graphene Research Centre, National University of Singapore, 2 Science Drive 3, Singapore 117542 (Singapore); Novoselov, K, E-mail: phycastr@nus.edu.sg, E-mail: konstantin.novoselov@manchester.ac.uk [School of Physics and Astronomy, University of Manchester, Oxford Road, Manchester, M13 9PL (United Kingdom)
2011-08-15
Graphene is possibly one of the largest and fastest growing fields in condensed matter research. However, graphene is only one example in a large class of two-dimensional crystals with unusual properties. In this paper we briefly review the properties of graphene and look at the exciting possibilities that lie ahead.
Boundary-value problems for two-dimensional canonical systems
Hassi, Seppo; De Snoo, H; Winkler, Henrik
2000-01-01
The two-dimensional canonical system Jy' = -lHy where the nonnegative Hamiltonian matrix function H(x) is trace-normed on (0,∞) has been studied in a function-theoretic way by L. de Branges. We show that the Hamiltonian system induces a closed symmetric relation which can be reduced to a, not necess
On the continua in two-dimensional nonadiabatic magnetohydrodynamic spectra
De Ploey, A.; Van der Linden, R. A. M.; Belien, A. J. C.
2000-01-01
The equations for the continuous subspectra of the linear magnetohydrodynamic (MHD) normal modes spectrum of two-dimensional (2D) plasmas are derived in general curvilinear coordinates, taking nonadiabatic effects in the energy equation into account. Previously published derivations of continuous sp
Dislocation climb in two-dimensional discrete dislocation dynamics
Davoudi, K.M.; Nicola, L.; Vlassak, J.J.
2012-01-01
In this paper, dislocation climb is incorporated in a two-dimensional discrete dislocation dynamics model. Calculations are carried out for polycrystalline thin films, passivated on one or both surfaces. Climb allows dislocations to escape from dislocation pile-ups and reduces the strain-hardening r
SAR Processing Based On Two-Dimensional Transfer Function
Chang, Chi-Yung; Jin, Michael Y.; Curlander, John C.
1994-01-01
Exact transfer function, ETF, is two-dimensional transfer function that constitutes basis of improved frequency-domain-convolution algorithm for processing synthetic-aperture-radar, SAR data. ETF incorporates terms that account for Doppler effect of motion of radar relative to scanned ground area and for antenna squint angle. Algorithm based on ETF outperforms others.
Sound waves in two-dimensional ducts with sinusoidal walls
Nayfeh, A. H.
1974-01-01
The method of multiple scales is used to analyze the wave propagation in two-dimensional hard-walled ducts with sinusoidal walls. For traveling waves, resonance occurs whenever the wall wavenumber is equal to the difference of the wavenumbers of any two duct acoustic modes. The results show that neither of these resonating modes could occur without strongly generating the other.
Confined two-dimensional fermions at finite density
De Francia, M; Loewe, M; Santangelo, E M; De Francia, M; Falomir, H; Loewe, M; Santangelo, E M
1995-01-01
We introduce the chemical potential in a system of two-dimensional massless fermions, confined to a finite region, by imposing twisted boundary conditions in the Euclidean time direction. We explore in this simple model the application of functional techniques which could be used in more complicated situations.
Imperfect two-dimensional topological insulator field-effect transistors
Vandenberghe, William G.; Fischetti, Massimo V.
2017-01-01
To overcome the challenge of using two-dimensional materials for nanoelectronic devices, we propose two-dimensional topological insulator field-effect transistors that switch based on the modulation of scattering. We model transistors made of two-dimensional topological insulator ribbons accounting for scattering with phonons and imperfections. In the on-state, the Fermi level lies in the bulk bandgap and the electrons travel ballistically through the topologically protected edge states even in the presence of imperfections. In the off-state the Fermi level moves into the bandgap and electrons suffer from severe back-scattering. An off-current more than two-orders below the on-current is demonstrated and a high on-current is maintained even in the presence of imperfections. At low drain-source bias, the output characteristics are like those of conventional field-effect transistors, at large drain-source bias negative differential resistance is revealed. Complementary n- and p-type devices can be made enabling high-performance and low-power electronic circuits using imperfect two-dimensional topological insulators. PMID:28106059
Bounds on the capacity of constrained two-dimensional codes
DEFF Research Database (Denmark)
Forchhammer, Søren; Justesen, Jørn
2000-01-01
Bounds on the capacity of constrained two-dimensional (2-D) codes are presented. The bounds of Calkin and Wilf apply to first-order symmetric constraints. The bounds are generalized in a weaker form to higher order and nonsymmetric constraints. Results are given for constraints specified by run...
Miniature sensor for two-dimensional magnetic field distributions
Fluitman, J.H.J.; Krabbe, H.W.
1972-01-01
Describes a simple method of production of a sensor for two-dimensional magnetic field distributions. The sensor consists of a strip of Ni-Fe(81-19), of which the magnetoresistance is utilized. Typical dimensions of the strip, placed at the edge of a glass substrate, are: length 100 mu m, width 2 or
Forensic potential of comprehensive two-dimensional gas chromatography
Sampat, A.; Lopatka, M.; Sjerps, M.; Vivo-Truyols, G.; Schoenmakers, P.; van Asten, A.
2016-01-01
In this study, the application of comprehensive two-dimensional (2D) gas chromatography (GC × GC) in forensic science is reviewed. The peer-reviewed publications on the forensic use of GC × GC and 2D gas chromatography with mass spectrometric detection (GC × GC-MS) have been studied in detail, not o
Spontaneous emission in two-dimensional photonic crystal microcavities
DEFF Research Database (Denmark)
Søndergaard, Thomas
2000-01-01
The properties of the radiation field in a two-dimensional photonic crystal with and without a microcavity introduced are investigated through the concept of the position-dependent photon density of states. The position-dependent rate of spontaneous radiative decay for a two-level atom with random...
Linkage analysis by two-dimensional DNA typing
te Meerman, G J; Mullaart, E; van der Meulen, M A; den Daas, J H; Morolli, B; Uitterlinden, A G; Vijg, J
1993-01-01
In two-dimensional (2-D) DNA typing, genomic DNA fragments are separated, first according to size by electrophoresis in a neutral polyacrylamide gel and second according to sequence by denaturing gradient gel electrophoresis, followed by hybridization analysis using micro- and minisatellite core pro
Phase conjugated Andreev backscattering in two-dimensional ballistic cavities
Morpurgo, A.F.; Holl, S.; Wees, B.J.van; Klapwijk, T.M; Borghs, G.
1997-01-01
We have experimentally investigated transport in two-dimensional ballistic cavities connected to a point contact and to two superconducting electrodes with a tunable macroscopic phase difference. The point contact resistance oscillates as a function of the phase difference in a way which reflects
Two-dimensional manifold with point-like defects
Gani, Vakhid A; Rubin, Sergei G
2014-01-01
We study a class of two-dimensional extra spaces isomorphic to the $S^2$ sphere in the framework of the multidimensional gravitation. We show that there exists a family of stationary metrics that depend on the initial (boundary) conditions. All these geometries have a singular point. We also discuss the possibility for these deformed extra spaces to be considered as dark matter candidates.
Instability of two-dimensional heterotic stringy black holes
Azreg-Ainou, M
1999-01-01
We solve the eigenvalue problem of general relativity for the case of charged black holes in two-dimensional heterotic string theory, derived by McGuigan et al. For the case of $m^{2}>q^{2}$, we find a physically acceptable time-dependent growing mode; thus the black hole is unstable. The extremal case $m^{2}=q^{2}$ is stable.
Institute of Scientific and Technical Information of China (English)
XIONG Lei; LI haijiao; ZHANG Lewen
2008-01-01
The fourth-order B spline wavelet scaling functions are used to solve the two-dimensional unsteady diffusion equation. The calculations from a case history indicate that the method provides high accuracy and the computational efficiency is enhanced due to the small matrix derived from this method.The respective features of 3-spline wavelet scaling functions, 4-spline wavelet scaling functions and quasi-wavelet used to solve the two-dimensional unsteady diffusion equation are compared. The proposed method has potential applications in many fields including marine science.
Indian Academy of Sciences (India)
Samanwita Pal
2010-07-01
Chemical exchange in solution state has been investigated traditionally by both 1D and 2D NMR, permitting the extraction of kinetic parameters (e.g. the spin-lattice relaxation time 1, the exchange rate constant and the activation parameters). This work demonstrates a simple 1D NMR approach employing multiply selective excitation to study multi-site exchange processes in solution, applying it to systems that exhibit three-site exchange. This approach involves simultaneous excitation of all - or a chosen subset of - the exchanging sites by using an appropriately modulated shaped radiofrequency pulse. The pulse sequence, as well as analysis is summarized. Significant features of the experiment, which relies on sign labelling of the exchanging sites, include considerably shorter experiment time compared to standard 2D exchange work, clear definition of the exchange time window and uniform pulse non-ideality effects for all the exchanging sites. Complete kinetic information is reported in the study of dynamic processes in superacid solutions of two weak bases, studied by 1H NMR. An analytical solution, leading to the determination of four rate parameters, is presented for proton exchange studies on these systems, which involve a mixture of two weak bases in arbitrary concentration ratio, and stoichiometric excess of the superacid.
Three-body recombination in a quasi-two-dimensional quantum gas
Huang, Bo; Zenesini, Alessandro; Grimm, Rudolf
2016-05-01
Quantum three-body recombination in three-dimensional systems is influenced by a series of weakly bound trimers known as Efimov states, which are induced by short-range interactions and exhibit a discrete scaling symmetry. On the other hand, two-dimensional systems with contact interactions are characterized by continuous scale invariance and support no Efimov physics. This raises questions about the behaviour of three-body recombination in the transition from three to two dimensions. We use ultracold caesium atoms trapped in anisotropic potentials formed by a pair of counter-propagating laser beams to experimentally investigate three-body recombination in quasi-two-dimensional systems with tunable confinement and tunable interactions. In our recent experiments, we observed a smooth transition of the three-body recombination rate coefficient from a three-dimensional to a deeply quasi-two-dimensional system. A comparison between the results obtained near two Feshbach resonances indicates a universal behaviour of three-body recombination in the quasi-two-dimensional regime. Austrian Science Fund FWF within project P23106.
Simple Two-Dimensional Corrections for One-Dimensional Pulse Tube Models
Lee, J. M.; Kittel, P.; Timmerhaus, K. D.; Radebaugh, R.
2004-01-01
One-dimensional oscillating flow models are very useful for designing pulse tubes. They are simple to use, not computationally intensive, and the physical relationship between temperature, pressure and mass flow are easy to understand when used in conjunction with phasor diagrams. They do not possess, however, the ability to directly calculate thermal and momentum diffusion in the direction transverse to the oscillating flow. To account for transverse effects, lumped parameter corrections, which are obtained though experiment, must be used. Or two-dimensional solutions of the differential fluid equations must be obtained. A linear two-dimensional solution to the fluid equations has been obtained. The solution provides lumped parameter corrections for one-dimensional models. The model accounts for heat transfer and shear flow between the gas and the tube. The complex Nusselt number and complex shear wall are useful in describing these corrections, with phase relations and amplitudes scaled with the Prandtl and Valensi numbers. The calculated ratio, a, between a two-dimensional solution of the oscillating temperature and velocity and a one-dimensional solution for the same shows a scales linearly with Va for Va less than 30. In this region alpha less than 0.5, that is, the enthalpy flow calculated with a two-dimensional model is 50% of a calculation using a one-dimensional model. For Va greater than 250, alpha = 0.8, showing that diffusion is still important even when it is confined to a thing layer near the tube wall.
Denoising EMG and EEG for Monitoring Small Animal Models During NMR Experiments
2007-11-02
electrodes. EEG and EMG signals were analogue band-pass filtered at 1-500 Hz, and sampled at 2 kHz. NMR signals were provided using a surface coil...et traitement des signaux physiologiques en vue de l’identification automatique des états de vigilance chez le petit animal », Systèmes et
Chain Length Effects of Linear Alkanes in Zeolite Ferrierite. 1. Sorption and 13C NMR Experiments
Well, van Willy J.M.; Cottin, Xavier; Haan, vde Jan W.; Smit, Berend; Nivarthy, Gautam; Lercher, Johannes A.; Hooff, van Jan H.C.; Santen, van Rutger A.
1998-01-01
Temperature-programmed desorption, heat of adsorption, adsorption isotherm, and 13C NMR measurements are used to study the sorption properties of linear alkanes in ferrierite. Some remarkable chain length effects are found in these properties. While propane, n-butane, and n-pentane fill the ferrieri
chain length effects of linear alkanes in zeolite ferrierite.1. sorption and 13C NMR experiments
van Well, Willy J.M.; Cottin, Xavier; vde Haan, Jan W.; Smit, Berend; Nivarthy, G.S.; Lercher, J.A.; van Hooff, Jan H.C.; van Santen, Rutger A.
1998-01-01
Temperature-programmed desorption, heat of adsorption, adsorption isotherm, and 13C NMR measurements are used to study the sorption properties of linear alkanes in ferrierite. Some remarkable chain length effects are found in these properties. While propane, n-butane, and n-pentane fill the
Kinetics of Neuraminidase Action on Glycoproteins by One- and Two-Dimensional NMR
Barb, Adam W.; Glushka, John N.; Prestegard, James H.
2011-01-01
The surfaces of mammalian cells are coated with complex carbohydrates, many terminated with a negatively charged "N"-acetylneuraminic acid residue. This motif is specifically targeted by pathogens, including influenza viruses and many pathogenic bacteria, to gain entry into the cell. A necessary step in the influenza virus life cycle is the…
Hydrothermal changes in wheat starch monitored by two-dimensional NMR.
Kovrlija, R; Rondeau-Mouro, C
2017-01-01
The temperature-dependent changes in wheat starch powder and wheat starch-water mixtures were monitored in real-time throughout the heating/cooling program using a classical one-dimensional T1 method and a novel bi-dimensional approach to correlate spin-lattice and spin-spin relaxation times (T1-T2) including acquisition of the FID signal. The influence of two controlling factors (i.e. water content (11%, 35-50%, wet basis) and temperature (20-90°C and back to 20°C)) on water distribution and starch transformation was investigated. Quantitative analysis of 2D T1-T2 maps greatly facilitated the interpretation of T1 relaxation times, which have been interpreted rather narrowly in the literature when classically measured in one-dimension. Application of the new IR-FID-CPMG sequence allowed distinction between different proton pools with different T1 relaxation times, particularly when the starch gelatinization occurred. The quantification of each T1 component permitted to assign the short T1 to slow cross relaxation phenomena, highlighting proton chemical and/or diffusional exchanges between water and starch.
Growth and electronic properties of two-dimensional systems on (110) oriented GaAs
Energy Technology Data Exchange (ETDEWEB)
Fischer, F.
2005-07-01
As the only non-polar plane the (110) surface has a unique role in GaAs. Together with Silicon as a dopant it is an important substrate orientation for the growth of n-type or p-type heterostructures. As a consequence, this thesis will concentrate on growth and research on that surface. In the course of this work we were able to realize two-dimensional electron systems with the highest mobilities reported so far on this orientation. Therefore, we review the necessary growth conditions and the accompanying molecular process. The two-dimensional electron systems allowed the study of a new, intriguing transport anisotropy not explained by current theory. Moreover, we were the first growing a two-dimensional hole gas on (110) GaAs with Si as dopant. For this purpose we invented a new growth modulation technique necessary to retrieve high mobility systems. In addition, we discovered and studied the metal-insulator transition in thin bulk p-type layers on (110) GaAs. Besides we investigated the activation process related to the conduction in the valence band and a parallelly conducting hopping band. The new two-dimensional hole gases revealed interesting physics. We studied the zero B-field spin splitting in these systems and compared it with the known theory. Furthermore, we investigated the anisotropy of the mobility. As opposed to the expectations we observed a strong persistent photoconductivity in our samples. Landau levels for two dimensional hole systems are non-linear and can show anticrossings. For the first time we were able to resolve anticrossings in a transport experiment and study the corresponding activation process. Finally, we compared these striking results with theoretical calculations. (orig.)
Two-Dimensional Plasmonics in Massive and Massless Electron Gases
Yoon, Hosang
Plasmonic waves in solid-state are caused by collective oscillation of mobile charges inside or at the surface of conductors. In particular, surface plasmonic waves propagating at the skin of metals have recently attracted interest, as they reduce the wavelength of electromagnetic waves coupled to them by up to ˜10 times, allowing one to create miniaturized wave devices at optical frequencies. In contrast, plasmonic waves on two-dimensional (2D) conductors appear at much lower infrared and THz-GHz frequencies, near or in the electronics regime, and can achieve far stronger wavelength reduction factor reaching well above 100. In this thesis, we study the unique machinery of 2D plasmonic waves behind this ultra-subwavelength confinement and explore how it can be used to create various interesting devices. To this end, we first develop a physically intuitive theoretical formulation of 2D plasmonic waves, whose two main components---the Coulomb restoration force and inertia of the collectively oscillating charges---are combined into a transmission-line-like model. We then use this formulation to create various ultra-subwavelength 2D plasmonic devices. For the 2D conductor, we first choose GaAs/AlGaAs heterostructure---a 2D electron gas consisting of massive (m* > 0) electrons---demonstrating plasmonic bandgap crystals, interferometers, and negatively refracting metamaterials. We then examine a 2D plasmonic device based on graphene, a 2D electron gas consisting of effectively massless (m* = 0) electrons. We theoretically show and experimentally demonstrate that the massless electrons in graphene can surprisingly exhibit a collective mass when subjected to a collective excitation, providing the inertia that is essential for the propagation of 2D plasmonic waves. Lastly, we theoretically investigate the thermal current fluctuation behaviors in massive and massless electron gases. While seemingly unrelated on first sight, we show that the thermal current fluctuation is
Two-Dimensional Supramolecular Polymers Embodying Large Unilamellar Vesicles in Water.
Chen, Shigui; Polen, Shane M; Wang, Lu; Yamasaki, Makoto; Hadad, Christopher M; Badjić, Jovica D
2016-09-07
We hereby describe a strategy for obtaining novel topological nanostructures consisting of dual-cavity basket 1, forming a curved monolayer of large unilamellar vesicles in water (CAC < 0.25 μM), and bivalent guests 4/5 populating the cavities of such bolaamphiphilic hosts. On the basis of the results of (1)H NMR spectroscopy, electron microscopy, and dynamic light scattering measurements, we postulated that divalent guest molecules 4/5 cover the curved vesicular surface in a lateral fashion to satisfy the complexation [2 + 2] valency and thereby give stable two-dimensional supramolecular polymers [1⊂4]n and [1⊂5]n. The results of experimental studies are also supported with coarse-grained molecular dynamics simulations and molecular mechanics. Our discovery about the assembly of novel vesicular structures could be of interest for stabilization/functionalization of liposomal surfaces as well as detection of polyvalent molecules and removal of targeted substances from aqueous environments.
Multi-Symplectic Splitting Method for Two-Dimensional Nonlinear Schriidinger Equation
Institute of Scientific and Technical Information of China (English)
陈亚铭; 朱华君; 宋松和
2011-01-01
Using the idea of splitting numerical methods and the multi-symplectic methods, we propose a multisymplectic splitting （MSS） method to solve the two-dimensional nonlinear Schrodinger equation （2D-NLSE） in this paper. It is further shown that the method constructed in this way preserve the global symplectieity exactly. Numerical experiments for the plane wave solution and singular solution of the 2D-NLSE show the accuracy and effectiveness of the proposed method.
Two-dimensional optical tomography of hemodynamic changes in a preterm infant brain
Gao, Feng; Xue, Yuan; Zhao, Huijuan; Kusaka, Takashi; Ueno, Masanori; Yamada, Yukio
2007-08-01
Our preliminary results on two-dimensional (2D) optical tomographic imaging of hemodynamic changes in a preterm infant brain are reported. We use the established 16-channel time-correlated single photon counting system for the detection and generalized pulse spectrum technique based algorithm for the image reconstruction. The experiments demonstrate that diffuse optical tomography may be a potent means for investigating brain functions and neural development of infant brains in the perinatal period.
Quasi-particle properties in a quasi-two-dimensional electron liquid
Indian Academy of Sciences (India)
R Asgari; B Tanatar
2008-02-01
We consider the quasi-particle properties such as the effective mass and spin susceptibility of quasi-two-dimensional electron systems. The finite quantum well width effects are incorporated into the local-field factors that describe the charge and spin correlations. We employ the Fermi-hypernetted chain formalism in conjunction with fluctuation-dissipation theorem to obtain the local-field factors. Our results are in good agreement with recent experiments.
Magnetoresistance of a two-dimensional electron gas in a random magnetic field
DEFF Research Database (Denmark)
Smith, Anders; Taboryski, Rafael Jozef; Hansen, Luise Theil
1994-01-01
We report magnetoresistance measurements on a two-dimensional electron gas made from a high-mobility GaAs/AlxGa1-xAs heterostructure, where the externally applied magnetic field was expelled from regions of the semiconductor by means of superconducting lead grains randomly distributed on the surf...... on the surface of the sample. A theoretical explanation in excellent agreement with the experiment is given within the framework of the semiclassical Boltzmann equation. © 1994 The American Physical Society...
Design and experimental study of a two-dimensional position sensitive X-ray detector
Institute of Scientific and Technical Information of China (English)
无
2008-01-01
A prototype of a two-dimensional position sensitive X-ray detector was designed and constructed for small angle X-ray scattering experiments at BSFR (Beijing Synchrotron Radiation Facility). The detector is based on MWPC with cathode strip readout, and has a sensitive area of 200 mmx200 mm. The spatial resolution (FWHM) of about 210 μm along the anode wire direction was obtained from the 55Fe X-ray test of the detector.
Coarse error analysis and correction of a two-dimensional triangulation range finder
Institute of Scientific and Technical Information of China (English)
Huaqiao Gui; Liang Lü; Wei Huang; Jun Xu; Deyong He; Huanqin Wang; Jianping Xie; Tianpeng Zhao; Hai Ming
2006-01-01
@@ A real-time two-dimensional (2D) triangulation range finder is presented, which is composed of two linear complementary metal oxidation semiconductor (CMOS) chips, two camera lenses, and four light emitting diodes (LEDs). The high order distortion in image aberrations is the main factor responsible for the coarse errors. The theoretical prediction is in good agreement with experiments and the correction equation is used to obtain more reliable results with the unique distortion coefficient in the whole working region.
Two-dimensional optical tomography of hemodynamic changes in a preterm infant brain
Institute of Scientific and Technical Information of China (English)
Feng Gao; Yuan Xue; Huijuan Zhao; Takashi Kusaka; Masanori Ueno; Yukio Yamada
2007-01-01
Our preliminary results on two-dimensional (2D) optical tomographic imaging of hemodynamic changes in a preterm infant brain are reported. We use the established 16-channel time-correlated single photon counting system for the detection and generalized pulse spectrum technique based algorithm for the image reconstruction. The experiments demonstrate that diffuse optical tomography may be a potent means for investigating brain functions and neural development of infant brains in the perinatal period.
One and two dimensional analysis of 3$\\pi$ correlations measured in Pb+Pb interactions
Bearden, I G; Boissevain, J G; Christiansen, P; Conin, L; Dodd, J; Erazmus, B; Esumi, S C; Fabjan, Christian Wolfgang; Ferenc, D; Fields, D E; Franz, A; Gaardhøje, J J; Hansen, A G; Hansen, O; Hardtke, D; van Hecke, H; Holzer, E B; Humanic, T J; Hummel, P; Jacak, B V; Jayanti, R; Kaimi, K; Kaneta, M; Kohama, T; Kopytine, M L; Leltchouk, M; Ljubicic, A; Lörstad, B; Maeda, N; Martin, L; Medvedev, A; Murray, M; Ohnishi, H; Paic, G; Pandey, S U; Piuz, François; Pluta, J; Polychronakos, V; Potekhin, M V; Poulard, G; Reichhold, D M; Sakaguchi, A; Schmidt-Sørensen, J; Simon-Gillo, J; Sondheim, W E; Sugitate, T; Sullivan, J P; Sumi, Y; Willis, W J; Wolf, K L; Xu, N; Zachary, D S
2001-01-01
$\\pi^{-}\\pi^{-}\\pi^{-}$ correlations from Pb+Pb collisions at 158 GeV/c per nucleon are presented as measured by the focusing spectrometer of the NA44 experiment at CERN. The three-body effect is found to be stronger for PbPb than for SPb. The two-dimensional three-particle correlation function is also measured and the longitudinal extension of the source is larger than the transverse extension.
Phase-locked pulses for two-dimensional spectroscopy by a birefringent delay line.
Brida, Daniele; Manzoni, Cristian; Cerullo, Giulio
2012-08-01
We introduce the translating wedge-based identical pulses encoding system, a novel device for the generation of collinear, interferometrically locked ultrashort pulse pairs. By means of birefringent wedges, we are able to control the pulse delay with attosecond precision and stability better that λ/360, without affecting the pulse duration and in a spectral range that spans from UV to mid-IR. This device is expected to dramatically simplify two-dimensional spectroscopy experiments.
Two dimensional solids and liquids influenced by small and large substrate potential
DEFF Research Database (Denmark)
Vives, E.; Lindgård, Per-Anker
1991-01-01
A general, continuous model for two dimensional solids and liquids on a substrate is studied by means of Monte Carlo simulation. The results can be applied to the case of adsorbed atoms or molecules on surfaces as well as intercalated compounds. We have focused on the study of the melting...... experiments, in particular for weak potentials and large atomic mean square displacements. New results for large potentials are also presented and possible relations to the Potts lattice gas description studied....
Double-Humped Transverse Density Profile in Two-Dimensional Chute Flow with Rough Sidewalls
Institute of Scientific and Technical Information of China (English)
HU Guo-Qi; ZHANG Xun-Sheng; BAO De-Song; TANG Xiao-Wei
2006-01-01
@@ We study a two-dimensional granular rapid flow with rough sidewalls stuck with the same size discs by molecular dynamics simulation. A transient state of the double-humped density profile in the flowing process has been found, which appears and moves as travelling wave and is the same as the phenomena in the recent experiments [Acta Phys. Sin. 53 (2004) 3389 (in Chinese)].
Laflamme, R; Zurek, W H; Catasti, P; Mariappan, S V S
1998-01-01
We describe the creation of a Greenberger-Horne-Zeilinger (GHZ) state of the form |000>+|111> (three maximally entangled quantum bits) using Nuclear Magnetic Resonance (NMR). We have successfully carried out the experiment using the proton and carbon spins of trichloroethylene, and confirmed the result using state tomography. We have thus extended the space of entangled quantum states explored systematically to three quantum bits, an essential step for quantum computation.
Stress Wave Propagation in Two-dimensional Buckyball Lattice
Xu, Jun; Zheng, Bowen
2016-11-01
Orderly arrayed granular crystals exhibit extraordinary capability to tune stress wave propagation. Granular system of higher dimension renders many more stress wave patterns, showing its great potential for physical and engineering applications. At nanoscale, one-dimensionally arranged buckyball (C60) system has shown the ability to support solitary wave. In this paper, stress wave behaviors of two-dimensional buckyball (C60) lattice are investigated based on square close packing and hexagonal close packing. We show that the square close packed system supports highly directional Nesterenko solitary waves along initially excited chains and hexagonal close packed system tends to distribute the impulse and dissipates impact exponentially. Results of numerical calculations based on a two-dimensional nonlinear spring model are in a good agreement with the results of molecular dynamics simulations. This work enhances the understanding of wave properties and allows manipulations of nanoscale lattice and novel design of shock mitigation and nanoscale energy harvesting devices.
The separation of whale myoglobins with two-dimensional electrophoresis.
Spicer, G S
1988-10-01
Five myoglobins (sperm whale, Sei whale, Hubbs' beaked whale, pilot whale, and Amazon River dolphin) were examined using two-dimensional electrophoresis. Previous reports indicated that none of these proteins could be separated by using denaturing (in the presence of 8-9 M urea) isoelectric focusing. This result is confirmed in the present study. However, all the proteins could be separated by using denaturing nonequilibrium pH-gradient electrophoresis in the first dimension. Additionally, all the myoglobins have characteristic mobilities in the second dimension (sodium dodecyl sulfate), but these mobilities do not correspond to the molecular weights of the proteins. We conclude that two-dimensional electrophoresis can be more sensitive to differences in primary protein structure than previous studies indicate and that the assessment seems to be incorrect that this technique can separate only proteins that have a unit charge difference.
Entanglement Entropy in Two-Dimensional String Theory.
Hartnoll, Sean A; Mazenc, Edward A
2015-09-18
To understand an emergent spacetime is to understand the emergence of locality. Entanglement entropy is a powerful diagnostic of locality, because locality leads to a large amount of short distance entanglement. Two-dimensional string theory is among the very simplest instances of an emergent spatial dimension. We compute the entanglement entropy in the large-N matrix quantum mechanics dual to two-dimensional string theory in the semiclassical limit of weak string coupling. We isolate a logarithmically large, but finite, contribution that corresponds to the short distance entanglement of the tachyon field in the emergent spacetime. From the spacetime point of view, the entanglement is regulated by a nonperturbative "graininess" of space.
Topological defect motifs in two-dimensional Coulomb clusters
Radzvilavičius, A; 10.1088/0953-8984/23/38/385301
2012-01-01
The most energetically favourable arrangement of low-density electrons in an infinite two-dimensional plane is the ordered triangular Wigner lattice. However, in most instances of contemporary interest one deals instead with finite clusters of strongly interacting particles localized in potential traps, for example, in complex plasmas. In the current contribution we study distribution of topological defects in two-dimensional Coulomb clusters with parabolic lateral confinement. The minima hopping algorithm based on molecular dynamics is used to efficiently locate the ground- and low-energy metastable states, and their structure is analyzed by means of the Delaunay triangulation. The size, structure and distribution of geometry-induced lattice imperfections strongly depends on the system size and the energetic state. Besides isolated disclinations and dislocations, classification of defect motifs includes defect compounds --- grain boundaries, rosette defects, vacancies and interstitial particles. Proliferatio...
The Persistence Problem in Two-Dimensional Fluid Turbulence
Perlekar, Prasad; Mitra, Dhrubaditya; Pandit, Rahul
2010-01-01
We present a natural framework for studying the persistence problem in two-dimensional fluid turbulence by using the Okubo-Weiss parameter {\\Lambda} to distinguish between vortical and extensional regions. We then use a direct numerical simulation (DNS) of the two-dimensional, incompressible Navier-Stokes equation with Ekman friction to study probability distribution functions (PDFs) of the persistence times of vortical and extensional regions by employing both Eulerian and Lagrangian measurements. We find that, in the Eulerian case, the persistence-time PDFs have exponential tails; by contrast, this PDF for Lagrangian particles, in vortical regions, has a power-law tail with a universal exponent {\\theta} = 3.1 \\pm 0.2.
On Dirichlet eigenvectors for neutral two-dimensional Markov chains
Champagnat, Nicolas; Miclo, Laurent
2012-01-01
We consider a general class of discrete, two-dimensional Markov chains modeling the dynamics of a population with two types, without mutation or immigration, and neutral in the sense that type has no influence on each individual's birth or death parameters. We prove that all the eigenvectors of the corresponding transition matrix or infinitesimal generator \\Pi\\ can be expressed as the product of "universal" polynomials of two variables, depending on each type's size but not on the specific transitions of the dynamics, and functions depending only on the total population size. These eigenvectors appear to be Dirichlet eigenvectors for \\Pi\\ on the complement of triangular subdomains, and as a consequence the corresponding eigenvalues are ordered in a specific way. As an application, we study the quasistationary behavior of finite, nearly neutral, two-dimensional Markov chains, absorbed in the sense that 0 is an absorbing state for each component of the process.
Statistical mechanics of two-dimensional and geophysical flows
Bouchet, Freddy
2011-01-01
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. The equilibrium microcanonical measure is built from the Liouville theorem. 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. We also present recent results for non-equilibrium situations, for the studies of either the relaxation towards equilibrium or non-equi...
Two-dimensional hazard estimation for longevity analysis
DEFF Research Database (Denmark)
Fledelius, Peter; Guillen, M.; Nielsen, J.P.
2004-01-01
We investigate developments in Danish mortality based on data from 1974-1998 working in a two-dimensional model with chronological time and age as the two dimensions. The analyses are done with non-parametric kernel hazard estimation techniques. The only assumption is that the mortality surface...... the two-dimensional mortality surface. Furthermore we look at aggregated synthetic population metrics as 'population life expectancy' and 'population survival probability'. For Danish women these metrics indicate decreasing mortality with respect to chronological time. The metrics can not directly be used...... for prediction purposes. However, we suggest that life insurance companies use the estimation technique and the cross-validation for bandwidth selection when analyzing their portfolio mortality. The non-parametric approach may give valuable information prior to developing more sophisticated prediction models...
Analysis of one dimensional and two dimensional fuzzy controllers
Institute of Scientific and Technical Information of China (English)
Ban Xiaojun; Gao Xiaozhi; Huang Xianlin; Wu Tianbao
2006-01-01
The analytical structures and the corresponding mathematical properties of the one dimensional and two dimensional fuzzy controllers are first investigated in detail.The nature of these two kinds of fuzzy controllers is next probed from the perspective of control engineering. For the one dimensional fuzzy controller, it is concluded that this controller is a combination of a saturation element and a nonlinear proportional controller, and the system that employs the one dimensional fuzzy controller is the combination of an open-loop control system and a closedloop control system. For the latter case, it is concluded that it is a hybrid controller, which comprises the saturation part, zero-output part, nonlinear derivative part, nonlinear proportional part, as well as nonlinear proportional-derivative part, and the two dimensional fuzzy controller-based control system is a loop-varying system with varying number of control loops.
Extension of modified power method to two-dimensional problems
Zhang, Peng; Lee, Hyunsuk; Lee, Deokjung
2016-09-01
In this study, the generalized modified power method was extended to two-dimensional problems. A direct application of the method to two-dimensional problems was shown to be unstable when the number of requested eigenmodes is larger than a certain problem dependent number. The root cause of this instability has been identified as the degeneracy of the transfer matrix. In order to resolve this instability, the number of sub-regions for the transfer matrix was increased to be larger than the number of requested eigenmodes; and a new transfer matrix was introduced accordingly which can be calculated by the least square method. The stability of the new method has been successfully demonstrated with a neutron diffusion eigenvalue problem and the 2D C5G7 benchmark problem.
Two Dimensional Lattice Boltzmann Method for Cavity Flow Simulation
Directory of Open Access Journals (Sweden)
Panjit MUSIK
2004-01-01
Full Text Available This paper presents a simulation of incompressible viscous flow within a two-dimensional square cavity. The objective is to develop a method originated from Lattice Gas (cellular Automata (LGA, which utilises discrete lattice as well as discrete time and can be parallelised easily. Lattice Boltzmann Method (LBM, known as discrete Lattice kinetics which provide an alternative for solving the Navier–Stokes equations and are generally used for fluid simulation, is chosen for the study. A specific two-dimensional nine-velocity square Lattice model (D2Q9 Model is used in the simulation with the velocity at the top of the cavity kept fixed. LBM is an efficient method for reproducing the dynamics of cavity flow and the results which are comparable to those of previous work.
Transport behavior of water molecules through two-dimensional nanopores
Energy Technology Data Exchange (ETDEWEB)
Zhu, Chongqin; Li, Hui; Meng, Sheng, E-mail: smeng@iphy.ac.cn [Beijing National Laboratory for Condensed Matter Physics and Institute of Physics, Chinese Academy of Sciences, Beijing 100190 (China)
2014-11-14
Water transport through a two-dimensional nanoporous membrane has attracted increasing attention in recent years thanks to great demands in water purification and desalination applications. However, few studies have been reported on the microscopic mechanisms of water transport through structured nanopores, especially at the atomistic scale. Here we investigate the microstructure of water flow through two-dimensional model graphene membrane containing a variety of nanopores of different size by using molecular dynamics simulations. Our results clearly indicate that the continuum flow transits to discrete molecular flow patterns with decreasing pore sizes. While for pores with a diameter ≥15 Å water flux exhibits a linear dependence on the pore area, a nonlinear relationship between water flux and pore area has been identified for smaller pores. We attribute this deviation from linear behavior to the presence of discrete water flow, which is strongly influenced by the water-membrane interaction and hydrogen bonding between water molecules.
Transport behavior of water molecules through two-dimensional nanopores
Zhu, Chongqin; Li, Hui; Meng, Sheng
2014-11-01
Water transport through a two-dimensional nanoporous membrane has attracted increasing attention in recent years thanks to great demands in water purification and desalination applications. However, few studies have been reported on the microscopic mechanisms of water transport through structured nanopores, especially at the atomistic scale. Here we investigate the microstructure of water flow through two-dimensional model graphene membrane containing a variety of nanopores of different size by using molecular dynamics simulations. Our results clearly indicate that the continuum flow transits to discrete molecular flow patterns with decreasing pore sizes. While for pores with a diameter ≥15 Å water flux exhibits a linear dependence on the pore area, a nonlinear relationship between water flux and pore area has been identified for smaller pores. We attribute this deviation from linear behavior to the presence of discrete water flow, which is strongly influenced by the water-membrane interaction and hydrogen bonding between water molecules.
Thermodynamics of two-dimensional Yukawa systems across coupling regimes
Kryuchkov, Nikita P.; Khrapak, Sergey A.; Yurchenko, Stanislav O.
2017-04-01
Thermodynamics of two-dimensional Yukawa (screened Coulomb or Debye-Hückel) systems is studied systematically using molecular dynamics (MD) simulations. Simulations cover very broad parameter range spanning from weakly coupled gaseous states to strongly coupled fluid and crystalline states. Important thermodynamic quantities, such as internal energy and pressure, are obtained and accurate physically motivated fits are proposed. This allows us to put forward simple practical expressions to describe thermodynamic properties of two-dimensional Yukawa systems. For crystals, in addition to numerical simulations, the recently developed shortest-graph interpolation method is applied to describe pair correlations and hence thermodynamic properties. It is shown that the finite-temperature effects can be accounted for by using simple correction of peaks in the pair correlation function. The corresponding correction coefficients are evaluated using MD simulation. The relevance of the obtained results in the context of colloidal systems, complex (dusty) plasmas, and ions absorbed to interfaces in electrolytes is pointed out.
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.
Two-dimensional magnetostriction under vector magnetic characteristic
Wakabayashi, D.; Enokizono, M.
2015-05-01
This paper presents two-dimensional magnetostriction of electrical steel sheet under vector magnetic characteristic. In conventional measurement method using Single Sheet Tester, the magnetic flux density, the magnetic field strength, and the magnetostriction have been measured in one direction. However, an angle between the magnetic flux density vector and the magnetic field strength vector exists because the magnetic property is vector quantity. An angle between the magnetic flux density vector and the direction of maximum magnetostriction also exists. We developed a new measurement method, which enables measurement of these angles. The vector magnetic characteristic and the two-dimensional magnetostriction have been measured using the new measurement method. The BH and Bλ curves considering the angles are shown in this paper. The analyzed results considering the angles are also made clear.
Phase separation under two-dimensional Poiseuille flow.
Kiwata, H
2001-05-01
The spinodal decomposition of a two-dimensional binary fluid under Poiseuille flow is studied by numerical simulation. We investigated time dependence of domain sizes in directions parallel and perpendicular to the flow. In an effective region of the flow, the power-law growth of a characteristic length in the direction parallel to the flow changes from the diffusive regime with the growth exponent alpha=1/3 to a new regime. The scaling invariance of the growth in the perpendicular direction is destroyed after the diffusive regime. A recurrent prevalence of thick and thin domains which determines log-time periodic oscillations has not been observed in our model. The growth exponents in the infinite system under two-dimensional Poiseuille flow are obtained by the renormalization group.
Two-dimensional localized structures in harmonically forced oscillatory systems
Ma, Y.-P.; Knobloch, E.
2016-12-01
Two-dimensional spatially localized structures in the complex Ginzburg-Landau equation with 1:1 resonance are studied near the simultaneous presence of a steady front between two spatially homogeneous equilibria and a supercritical Turing bifurcation on one of them. The bifurcation structures of steady circular fronts and localized target patterns are computed in the Turing-stable and Turing-unstable regimes. In particular, localized target patterns grow along the solution branch via ring insertion at the core in a process reminiscent of defect-mediated snaking in one spatial dimension. Stability of axisymmetric solutions on these branches with respect to axisymmetric and nonaxisymmetric perturbations is determined, and parameter regimes with stable axisymmetric oscillons are identified. Direct numerical simulations reveal novel depinning dynamics of localized target patterns in the radial direction, and of circular and planar localized hexagonal patterns in the fully two-dimensional system.
Enstrophy inertial range dynamics in generalized two-dimensional turbulence
Iwayama, Takahiro; Watanabe, Takeshi
2016-07-01
We show that the transition to a k-1 spectrum in the enstrophy inertial range of generalized two-dimensional turbulence can be derived analytically using the eddy damped quasinormal Markovianized (EDQNM) closure. The governing equation for the generalized two-dimensional fluid system includes a nonlinear term with a real parameter α . This parameter controls the relationship between the stream function and generalized vorticity and the nonlocality of the dynamics. An asymptotic analysis accounting for the overwhelming dominance of nonlocal triads allows the k-1 spectrum to be derived based upon a scaling analysis. We thereby provide a detailed analytical explanation for the scaling transition that occurs in the enstrophy inertial range at α =2 in terms of the spectral dynamics of the EDQNM closure, which extends and enhances the usual phenomenological explanations.
Folding two dimensional crystals by swift heavy ion irradiation
Energy Technology Data Exchange (ETDEWEB)
Ochedowski, Oliver; Bukowska, Hanna [Fakultät für Physik and CENIDE, Universität Duisburg-Essen, D-47048 Duisburg (Germany); Freire Soler, Victor M. [Fakultät für Physik and CENIDE, Universität Duisburg-Essen, D-47048 Duisburg (Germany); Departament de Fisica Aplicada i Optica, Universitat de Barcelona, E08028 Barcelona (Spain); Brökers, Lara [Fakultät für Physik and CENIDE, Universität Duisburg-Essen, D-47048 Duisburg (Germany); Ban-d' Etat, Brigitte; Lebius, Henning [CIMAP (CEA-CNRS-ENSICAEN-UCBN), 14070 Caen Cedex 5 (France); Schleberger, Marika, E-mail: marika.schleberger@uni-due.de [Fakultät für Physik and CENIDE, Universität Duisburg-Essen, D-47048 Duisburg (Germany)
2014-12-01
Ion irradiation of graphene, the showcase model of two dimensional crystals, has been successfully applied to induce various modifications in the graphene crystal. One of these modifications is the formation of origami like foldings in graphene which are created by swift heavy ion irradiation under glancing incidence angle. These foldings can be applied to locally alter the physical properties of graphene like mechanical strength or chemical reactivity. In this work we show that the formation of foldings in two dimensional crystals is not restricted to graphene but can be applied for other materials like MoS{sub 2} and hexagonal BN as well. Further we show that chemical vapour deposited graphene forms foldings after swift heavy ion irradiation while chemical vapour deposited MoS{sub 2} does not.
Explorative data analysis of two-dimensional electrophoresis gels
DEFF Research Database (Denmark)
Schultz, J.; Gottlieb, D.M.; Petersen, Marianne Kjerstine
2004-01-01
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...... 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...... 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...
NMR and EPR Studies of Free-Radical Intermediates from Experiments Mimicking the Winds on Mars
DEFF Research Database (Denmark)
Jakobsen, Hans J.; Song, Likai; Gan, Zhehong
2016-01-01
A new kind of solid gas chemical reactions has been investigated using solid-state powder H-2, C-13, and Si-29 NMR and EPR spectroscopies. These studies involve reactions between a silicate-created Si free-radical intermediate and a few ordinary gases such as isotopically H-2-, C-13-, and O-17......)-C-13, (encapsulation of the gas) and the indication of a congested methyl group in the product from reaction with methane....
Mote, Kaustubh R; Gopinath, T; Veglia, Gianluigi
2013-10-01
The low sensitivity inherent to both the static and magic angle spinning techniques of solid-state NMR (ssNMR) spectroscopy has thus far limited the routine application of multidimensional experiments to determine the structure of membrane proteins in lipid bilayers. Here, we demonstrate the advantage of using a recently developed class of experiments, polarization optimized experiments, for both static and MAS spectroscopy to achieve higher sensitivity and substantial time-savings for 2D and 3D experiments. We used sarcolipin, a single pass membrane protein, reconstituted in oriented bicelles (for oriented ssNMR) and multilamellar vesicles (for MAS ssNMR) as a benchmark. The restraints derived by these experiments are then combined into a hybrid energy function to allow simultaneous determination of structure and topology. The resulting structural ensemble converged to a helical conformation with a backbone RMSD ~0.44 Å, a tilt angle of 24° ± 1°, and an azimuthal angle of 55° ± 6°. This work represents a crucial first step toward obtaining high-resolution structures of large membrane proteins using combined multidimensional oriented solid-state NMR and magic angle spinning solid-state NMR.
Energy Technology Data Exchange (ETDEWEB)
Mote, Kaustubh R. [University of Minnesota, Department of Chemistry (United States); Gopinath, T. [University of Minnesota, Department of Biochemistry, Molecular Biology and Biophysics (United States); Veglia, Gianluigi, E-mail: vegli001@umn.edu [University of Minnesota, Department of Chemistry (United States)
2013-10-15
The low sensitivity inherent to both the static and magic angle spinning techniques of solid-state NMR (ssNMR) spectroscopy has thus far limited the routine application of multidimensional experiments to determine the structure of membrane proteins in lipid bilayers. Here, we demonstrate the advantage of using a recently developed class of experiments, polarization optimized experiments, for both static and MAS spectroscopy to achieve higher sensitivity and substantial time-savings for 2D and 3D experiments. We used sarcolipin, a single pass membrane protein, reconstituted in oriented bicelles (for oriented ssNMR) and multilamellar vesicles (for MAS ssNMR) as a benchmark. The restraints derived by these experiments are then combined into a hybrid energy function to allow simultaneous determination of structure and topology. The resulting structural ensemble converged to a helical conformation with a backbone RMSD {approx}0.44 A, a tilt angle of 24 Degree-Sign {+-} 1 Degree-Sign , and an azimuthal angle of 55 Degree-Sign {+-} 6 Degree-Sign . This work represents a crucial first step toward obtaining high-resolution structures of large membrane proteins using combined multidimensional oriented solid-state NMR and magic angle spinning solid-state NMR.
Connell, Mark A.; Bowyer, Paul J.; Adam Bone, P.; Davis, Adrian L.; Swanson, Alistair G.; Nilsson, Mathias; Morris, Gareth A.
2009-05-01
Pulsed field gradient NMR is a well-established technique for the determination of self-diffusion coefficients. However, a significant source of systematic error exists in the spatial variation of the applied pulsed field gradient. Non-uniform pulsed field gradients cause the decay of peak amplitudes to deviate from the expected exponential dependence on gradient squared. This has two undesirable effects: the apparent diffusion coefficient will deviate from the true value to an extent determined by the choice of experimental parameters, and the error estimated by the nonlinear least squares fitting will contain a significant systematic contribution. In particular, the apparent diffusion coefficient determined by exponential fitting of the diffusional attenuation of NMR signals will depend both on the exact pulse widths used and on the range of gradient amplitudes chosen. These problems can be partially compensated for if experimental attenuation data are fitted to a function corrected for the measured spatial dependence of the gradient and signal strength. This study describes a general alternative to existing methods for the calibration of NMR diffusion measurements. The dominant longitudinal variation of the pulsed field gradient amplitude and the signal strength are mapped by measuring pulsed field gradient echoes in the presence of a weak read gradient. These data are then used to construct a predicted signal decay function for the whole sample, which is parameterised as the exponential of a power series. Results are presented which compare diffusion coefficients obtained using the new calibration method with previous literature values.
Two-dimensional model of elastically coupled molecular motors
Institute of Scientific and Technical Information of China (English)
Zhang Hong-Wei; Wen Shu-Tang; Chen Gai-Rong; Li Yu-Xiao; Cao Zhong-Xing; Li Wei
2012-01-01
A flashing ratchet model of a two-headed molecular motor in a two-dimensional potential is proposed to simulate the hand-over-hand motion of kinesins.Extensive Langevin simulations of the model are performed.We discuss the dependences of motion and efficiency on the model parameters,including the external force and the temperature.A good qualitative agreement with the expected behavior is observed.
Conductivity of a two-dimensional guiding center plasma.
Montgomery, D.; Tappert, F.
1972-01-01
The Kubo method is used to calculate the electrical conductivity of a two-dimensional, strongly magnetized plasma. The particles interact through (logarithmic) electrostatic potentials and move with their guiding center drift velocities (Taylor-McNamara model). The thermal equilibrium dc conductivity can be evaluated analytically, but the ac conductivity involves numerical solution of a differential equation. Both conductivities fall off as the inverse first power of the magnetic field strength.
Minor magnetization loops in two-dimensional dipolar Ising model
Energy Technology Data Exchange (ETDEWEB)
Sarjala, M. [Aalto University, Department of Applied Physics, P.O. Box 14100, FI-00076 Aalto (Finland); Seppaelae, E.T., E-mail: eira.seppala@nokia.co [Nokia Research Center, Itaemerenkatu 11-13, FI-00180 Helsinki (Finland); Alava, M.J., E-mail: mikko.alava@tkk.f [Aalto University, Department of Applied Physics, P.O. Box 14100, FI-00076 Aalto (Finland)
2011-05-15
The two-dimensional dipolar Ising model is investigated for the relaxation and dynamics of minor magnetization loops. Monte Carlo simulations show that in a stripe phase an exponential decrease can be found for the magnetization maxima of the loops, M{approx}exp(-{alpha}N{sub l}) where N{sub l} is the number of loops. We discuss the limits of this behavior and its relation to the equilibrium phase diagram of the model.
Cryptography Using Multiple Two-Dimensional Chaotic Maps
Directory of Open Access Journals (Sweden)
Ibrahim S. I. Abuhaiba
2012-08-01
Full Text Available In this paper, a symmetric key block cipher cryptosystem is proposed, involving multiple two-dimensional chaotic maps and using 128-bits external secret key. Computer simulations indicate that the cipher has good diffusion and confusion properties with respect to the plaintext and the key. Moreover, it produces ciphertext with random distribution. The computation time is much less than previous related works. Theoretic analysis verifies its superiority to previous cryptosystems against different types of attacks.
A UNIVERSAL VARIATIONAL FORMULATION FOR TWO DIMENSIONAL FLUID MECHANICS
Institute of Scientific and Technical Information of China (English)
何吉欢
2001-01-01
A universal variational formulation for two dimensional fluid mechanics is obtained, which is subject to the so-called parameter-constrained equations (the relationship between parameters in two governing equations). By eliminating the constraints, the generalized variational principle (GVPs) can be readily derived from the formulation. The formulation can be applied to any conditions in case the governing equations can be converted into conservative forms. Some illustrative examples are given to testify the effectiveness and simplicity of the method.
Nonlocal bottleneck effect in two-dimensional turbulence
Biskamp, D; Schwarz, E
1998-01-01
The bottleneck pileup in the energy spectrum is investigated for several two-dimensional (2D) turbulence systems by numerical simulation using high-order diffusion terms to amplify the effect, which is weak for normal diffusion. For 2D magnetohydrodynamic (MHD) turbulence, 2D electron MHD (EMHD) turbulence and 2D thermal convection, which all exhibit direct energy cascades, a nonlocal behavior is found resulting in a logarithmic enhancement of the spectrum.
Level crossings in complex two-dimensional potentials
Indian Academy of Sciences (India)
Qing-Hai Wang
2009-08-01
Two-dimensional $\\mathcal{PT}$-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 potentials respect the $\\mathcal{PT}$ symmetry, the complex energy eigenvalues appear when level crossing happens between same parity eigenstates.
Extraction of plant proteins for two-dimensional electrophoresis
Granier, Fabienne
1988-01-01
Three different extraction procedures for two-dimensional electrophoresis of plant proteins are compared: (i) extraction of soluble proteins with a nondenaturing Tris-buffer, (ii) denaturing extraction in presence of sodium dodecyl sulfate at elevated temperature allowing the solubilization of membrane proteins in addition to a recovery of soluble proteins, and (iii) a trichloroacetic acid-acetone procedure allowing the direct precipitation of total proteins.
Lyapunov Computational Method for Two-Dimensional Boussinesq Equation
Mabrouk, Anouar Ben
2010-01-01
A numerical method is developed leading to Lyapunov operators to approximate the solution of two-dimensional Boussinesq equation. It consists of an order reduction method and a finite difference discretization. It is proved to be uniquely solvable and analyzed for local truncation error for consistency. The stability is checked by using Lyapunov criterion and the convergence is studied. Some numerical implementations are provided at the end of the paper to validate the theoretical results.
Complex dynamical invariants for two-dimensional complex potentials
Indian Academy of Sciences (India)
J S Virdi; F Chand; C N Kumar; S C Mishra
2012-08-01
Complex dynamical invariants are searched out for two-dimensional complex potentials using rationalization method within the framework of an extended complex phase space characterized by $x = x_{1} + ip_{3}. y = x_{2} + ip_{4}, p_{x} = p_{1} + ix_{3}, p_{y} = p_{2} + ix_{4}$. It is found that the cubic oscillator and shifted harmonic oscillator admit quadratic complex invariants. THe obtained invariants may be useful for studying non-Hermitian Hamiltonian systems.
Two-dimensional hydrogen negative ion in a magnetic field
Institute of Scientific and Technical Information of China (English)
Xie Wen-Fang
2004-01-01
Making use of the adiabatic hyperspherical approach, we report a calculation for the energy spectrum of the ground and low-excited states of a two-dimensional hydrogen negative ion H- in a magnetic field. The results show that the ground and low-excited states of H- in low-dimensional space are more stable than those in three-dimensional space and there may exist more bound states.
А heuristic algorithm for two-dimensional strip packing problem
Dayong, Cao; Kotov, V.M.
2011-01-01
In this paper, we construct an improved best-fit heuristic algorithm for two-dimensional rectangular strip packing problem (2D-RSPP), and compare it with some heuristic and metaheuristic algorithms from literatures. The experimental results show that BFBCC could produce satisfied packing layouts than these methods, especially for the large problem of 50 items or more, BFBCC could get better results in shorter time.
Chronology Protection in Two-Dimensional Dilaton Gravity
Mishima, T; Mishima, Takashi; Nakamichi, Akika
1994-01-01
The global structure of 1 + 1 dimensional compact Universe is studied in two-dimensional model of dilaton gravity. First we give a classical solution corresponding to the spacetime in which a closed time-like curve appears, and show the instability of this spacetime due to the existence of matters. We also observe quantum version of such a spacetime having closed timelike curves never reappear unless the parameters are fine-tuned.
Phase Transitions in Two-Dimensional Traffic Flow Models
Cuesta, J A; Molera, J M; Cuesta, José A; Martinez, Froilán C; Molera, Juan M
1993-01-01
Abstract: We introduce two simple two-dimensional lattice models to study traffic flow in cities. We have found that a few basic elements give rise to the characteristic phase diagram of a first-order phase transition from a freely moving phase to a jammed state, with a critical point. The jammed phase presents new transitions corresponding to structural transformations of the jam. We discuss their relevance in the infinite size limit.
Phase Transitions in Two-Dimensional Traffic Flow Models
Cuesta, José A; Molera, Juan M; Escuela, Angel Sánchez; 10.1103/PhysRevE.48.R4175
2009-01-01
We introduce two simple two-dimensional lattice models to study traffic flow in cities. We have found that a few basic elements give rise to the characteristic phase diagram of a first-order phase transition from a freely moving phase to a jammed state, with a critical point. The jammed phase presents new transitions corresponding to structural transformations of the jam. We discuss their relevance in the infinite size limit.
SU(1,2) invariance in two-dimensional oscillator
Krivonos, Sergey
2016-01-01
Performing the Hamiltonian analysis we explicitly established the canonical equivalence of the deformed oscillator, constructed in arXiv:1607.03756[hep-th], with the ordinary one. As an immediate consequence, we proved that the SU(1,2) symmetry is the dynamical symmetry of the ordinary two-dimensional oscillator. The characteristic feature of this SU(1,2) symmetry is a non-polynomial structure of its generators written it terms of the oscillator variables.
Multiple Potts Models Coupled to Two-Dimensional Quantum Gravity
Baillie, C F
1992-01-01
We perform Monte Carlo simulations using the Wolff cluster algorithm of {\\it multiple} $q=2,3,4$ state Potts models on dynamical phi-cubed graphs of spherical topology in order to investigate the $c>1$ region of two-dimensional quantum gravity. Contrary to naive expectation we find no obvious signs of pathological behaviour for $c>1$. We discuss the results in the light of suggestions that have been made for a modified DDK ansatz for $c>1$.
Multiple Potts models coupled to two-dimensional quantum gravity
Baillie, C. F.; Johnston, D. A.
1992-07-01
We perform Monte Carlo simulations using the Wolff cluster algorithm of multiple q=2, 3, 4 state Potts models on dynamical phi-cubed graphs of spherical topology in order to investigate the c>1 region of two-dimensional quantum gravity. Contrary to naive expectation we find no obvious signs of pathological behaviour for c>1. We discuss the results in the light of suggestions that have been made for a modified DDK ansatz for c>1.
Colloidal interactions in two-dimensional nematic emulsions
Indian Academy of Sciences (India)
N M Silvestre; P Patrício; M M Telo Da Gama
2005-06-01
We review theoretical and experimental work on colloidal interactions in two-dimensional (2D) nematic emulsions. We pay particular attention to the effects of (i) the nematic elastic constants, (ii) the size of the colloids, and (iii) the boundary conditions at the particles and the container. We consider the interactions between colloids and fluid (deformable) interfaces and the shape of fluid colloids in smectic-C films.
Thermal diode from two-dimensional asymmetrical Ising lattices.
Wang, Lei; Li, Baowen
2011-06-01
Two-dimensional asymmetrical Ising models consisting of two weakly coupled dissimilar segments, coupled to heat baths with different temperatures at the two ends, are studied by Monte Carlo simulations. The heat rectifying effect, namely asymmetric heat conduction, is clearly observed. The underlying mechanisms are the different temperature dependencies of thermal conductivity κ at two dissimilar segments and the match (mismatch) of flipping frequencies of the interface spins.
Numerical Study of Two-Dimensional Viscous Flow over Dams
Institute of Scientific and Technical Information of China (English)
王利兵; 刘宇陆; 涂敏杰
2003-01-01
In this paper, the characteristics of two-dimensional viscous flow over two dams were numerically investigated. The results show that the behavior of the vortices is closely related to the space between two dams, water depth, Fr number and Reynolds number. In addition, the flow properties behind each dam are different, and the changes over two dams are more complex than over one dam. Finally, the relevant turbulent characteristics were analyzed.
Spirals and Skyrmions in two dimensional oxide heterostructures.
Li, Xiaopeng; Liu, W Vincent; Balents, Leon
2014-02-14
We construct the general free energy governing long-wavelength magnetism in two dimensional oxide heterostructures, which applies irrespective of the microscopic mechanism for magnetism. This leads, in the relevant regime of weak but non-negligible spin-orbit coupling, to a rich phase diagram containing in-plane ferromagnetic, spiral, cone, and Skyrmion lattice phases, as well as a nematic state stabilized by thermal fluctuations.
Exact analytic flux distributions for two-dimensional solar concentrators.
Fraidenraich, Naum; Henrique de Oliveira Pedrosa Filho, Manoel; Vilela, Olga C; Gordon, Jeffrey M
2013-07-01
A new approach for representing and evaluating the flux density distribution on the absorbers of two-dimensional imaging solar concentrators is presented. The formalism accommodates any realistic solar radiance and concentrator optical error distribution. The solutions obviate the need for raytracing, and are physically transparent. Examples illustrating the method's versatility are presented for parabolic trough mirrors with both planar and tubular absorbers, Fresnel reflectors with tubular absorbers, and V-trough mirrors with planar absorbers.
Tricritical behavior in a two-dimensional field theory
Hamber, Herbert
1980-05-01
The critical behavior of a two-dimensional scalar Euclidean field theory with a potential term that allows for three minima is analyzed using an approximate position-space renormalization-group transformation on the equivalent quantum spin Hamiltonian. The global phase diagram shows a tricritical point separating a critical line from a line of first-order transitions. Other critical properties are examined, and good agreement is found with results on classical spin models belonging to the same universality class.
Quantum entanglement in a two-dimensional ion trap
Institute of Scientific and Technical Information of China (English)
王成志; 方卯发
2003-01-01
In this paper, we investigate the quantum entanglement in a two-dimensional ion trap system. We discuss the quantum entanglement between the ion and phonons by using reduced entropy, and that between two degrees of freedom of the vibrational motion along x and y directions by using quantum relative entropy. We discuss also the influence of initial state of the system on the quantum entanglement and the relation between two entanglements in the trapped ion system.
Coll Positioning systems: a two-dimensional approach
Ferrando, J J
2006-01-01
The basic elements of Coll positioning systems (n clocks broadcasting electromagnetic signals in a n-dimensional space-time) are presented in the two-dimensional case. This simplified approach allows us to explain and to analyze the properties and interest of these relativistic positioning systems. The positioning system defined in flat metric by two geodesic clocks is analyzed. The interest of the Coll systems in gravimetry is pointed out.
Two-dimensional correlation spectroscopy in polymer study
Park, Yeonju; Noda, Isao; Jung, Young Mee
2015-01-01
This review outlines the recent works of two-dimensional correlation spectroscopy (2DCOS) in polymer study. 2DCOS is a powerful technique applicable to the in-depth analysis of various spectral data of polymers obtained under some type of perturbation. The powerful utility of 2DCOS combined with various analytical techniques in polymer studies and noteworthy developments of 2DCOS used in this field are also highlighted. PMID:25815286
Interior design of a two-dimensional semiclassic black hole
Levanony, Dana; 10.1103/PhysRevD.80.084008
2009-01-01
We look into the inner structure of a two-dimensional dilatonic evaporating black hole. We establish and employ the homogenous approximation for the black-hole interior. The field equations admit two types of singularities, and their local asymptotic structure is investigated. One of these singularities is found to develop, as a spacelike singularity, inside the black hole. We then study the internal structure of the evaporating black hole from the horizon to the singularity.
Towards a two dimensional model of surface piezoelectricity
Monge Víllora, Oscar
2016-01-01
We want to understand the behaviour of flexoelectricity and surface piezoelectricity and distinguish them in order to go deep into the controversies of the filed. This motivate the construction of a model of continuum flexoelectric theory. The model proposed is a two-dimensional model that integrates the electromechanical equations that include the elastic, dielectric, piezoelectric and flexoelectric effect on a rectangular sample. As the flexoelectric and the surface piezoelectric effects ap...
Velocity Statistics in the Two-Dimensional Granular Turbulence
Isobe, Masaharu
2003-01-01
We studied the macroscopic statistical properties on the freely evolving quasi-elastic hard disk (granular) system by performing a large-scale (up to a few million particles) event-driven molecular dynamics systematically and found that remarkably analogous to an enstrophy cascade process in the decaying two-dimensional fluid turbulence. There are four typical stages in the freely evolving inelastic hard disk system, which are homogeneous, shearing (vortex), clustering and final state. In the...
Statistical study of approximations to two dimensional inviscid turbulence
Energy Technology Data Exchange (ETDEWEB)
Glaz, H.M.
1977-09-01
A numerical technique is developed for studying the ergodic and mixing hypotheses for the dynamical systems arising from the truncated Fourier transformed two-dimensional inviscid Navier-Stokes equations. This method has the advantage of exactly conserving energy and entropy (i.e., total vorticity) in the inviscid case except for numerical error in solving the ordinary differential equations. The development of the mathematical model as an approximation to a real physical (turbulent) flow and the numerical results obtained are discussed.
Static Structure of Two-Dimensional Granular Chain
Institute of Scientific and Technical Information of China (English)
WEN Ping-Ping; LI Liang-Sheng; ZHENG Ning; SHI Qing-Fan
2010-01-01
@@ Static packing structures of two-dimensional granular chains are investigated experimentally.It is shown that the packing density approximates the saturation with the exponential law as the length of chain increases.The packing structures are globally disordered,while the local square crystallization is found by using the radial distribution function.This characteristic phase of chain packing is similar to a liquid crystal state,and has properties between a conventional liquid and solid crystal.
THE DEGENERACY PROBLEM OF TWO-DIMENSIONAL LINEAR RECURRING ARRAYS
Institute of Scientific and Technical Information of China (English)
无
2000-01-01
The degeneracy degree and degeneracy position sets of a wo-dimensional linear recurrence relation set are characterized. The fact that a linear recurring array is essentially a doubly periodic array is shown. By using the Grbner base theory, a calculation formula for degeneracy degree is given and the existence of a special degeneracy position set is proved. In the present paper, the degeneracy problem of the two-dimensional linear recurring arrays is completely solved.
Two-Dimensional Identification of Fetal Tooth Germs.
Seabra, Mariana; Vaz, Paula; Valente, Francisco; Braga, Ana; Felino, António
2017-03-01
To demonstrate the efficiency and applicability of two-dimensional ultrasonography in the identification of tooth germs and in the assessment of potential pathology. Observational, descriptive, cross-sectional study. Prenatal Diagnosis Unit of Centro Hospitalar de Vila Nova de Gaia / Espinho-Empresa Pública in Portugal. A total of 157 white pregnant women (median age, 32 years; range, 14 to 47 years) undergoing routine ultrasound exams. Description of the fetal tooth germs, as visualized by two-dimensional ultrasonography, including results from prior fetal biometry and detailed screening for malformations. In the first trimester group, ultrasonography identified 10 tooth germs in the maxilla and 10 tooth germs in the mandible in all fetuses except for one who presented eight maxillary tooth germs. This case was associated with a chromosomal abnormality (trisomy 13) with a bilateral cleft palate. In the second and third trimesters group, ultrasonography identified a larger range of tooth germs: 81.2% of fetuses showed 10 tooth germs in the maxilla and 85.0% of fetuses had 10 tooth germs in the mandible. Hypodontia was more prevalent in the maxilla than in the mandible, which led us to use qualitative two-dimensional ultrasonography to analyze the possible association between hypodontia and other variables such as fetal pathology, markers, head, nuchal, face, and spine. We recommend using this method as the first exam to evaluate fetal morphology and also to help establish accurate diagnosis of abnormalities in pregnancy.
Electromagnetically induced two-dimensional grating assisted by incoherent pump
Energy Technology Data Exchange (ETDEWEB)
Chen, Yu-Yuan; Liu, Zhuan-Zhuan; Wan, Ren-Gang, E-mail: wrg@snnu.edu.cn
2017-04-25
We propose a scheme for realizing electromagnetically induced two-dimensional grating in a double-Λ system driven simultaneously by a coherent field and an incoherent pump field. In such an atomic configuration, the absorption is suppressed owing to the incoherent pumping process and the probe can be even amplified, while the refractivity is mainly attributed to the dynamically induced coherence. With the help of a standing-wave pattern coherent field, we obtain periodically modulated refractive index without or with gain, and therefore phase grating or gain-phase grating which diffracts a probe light into high-order direction efficiently can be formed in the medium via appropriate manipulation of the system parameters. The diffraction efficiency attainable by the present gratings can be controlled by tuning the coherent field intensity or the interaction length. Hence, the two-dimensional grating can be utilized as all-optical splitter or router in optical networking and communication. - Highlights: • Two-dimensional grating is coherently induced in four-level atoms. • Phase and gain-phase gratings are obtained assisted by incoherent pump. • The diffraction power is improved due to the enhanced refraction modulation. • The gratings can be utilized as multi-channel all-optical splitter and router.
a First Cryptosystem for Security of Two-Dimensional Data
Mishra, D. C.; Sharma, Himani; Sharma, R. K.; Kumar, Naveen
In this paper, we present a novel technique for security of two-dimensional data with the help of cryptography and steganography. The presented approach provides multilayered security of two-dimensional data. First layer security was developed by cryptography and second layer by steganography. The advantage of steganography is that the intended secret message does not attract attention to itself as an object of scrutiny. This paper proposes a novel approach for encryption and decryption of information in the form of Word Data (.doc file), PDF document (.pdf file), Text document, Gray-scale images, and RGB images, etc. by using Vigenere Cipher (VC) associated with Discrete Fourier Transform (DFT) and then hiding the data behind the RGB image (i.e. steganography). Earlier developed techniques provide security of either PDF data, doc data, text data or image data, but not for all types of two-dimensional data and existing techniques used either cryptography or steganography for security. But proposed approach is suitable for all types of data and designed for security of information by cryptography and steganography. The experimental results for Word Data, PDF document, Text document, Gray-scale images and RGB images support the robustness and appropriateness for secure transmission of these data. The security analysis shows that the presented technique is immune from cryptanalytic. This technique further provides security while decryption as a check on behind which RGB color the information is hidden.
Two-dimensional capillary electrophoresis using tangentially connected capillaries.
Sahlin, Eskil
2007-06-22
A novel type of fused silica capillary system is described where channels with circular cross-sections are tangentially in contact with each other and connected through a small opening at the contact area. Since the channels are not crossing each other in the same plane, the capillaries can easily be filled with different solutions, i.e. different solutions will be in contact with each other at the contact point. The system has been used to perform different types of two-dimensional separations and the complete system is fully automated where a high voltage switch is used to control the location of the high voltage in the system. Using two model compounds it is demonstrated that a type of two-dimensional separation can be performed using capillary zone electrophoresis at two different pH values. It is also shown that a compound with acid/base properties can be concentrated using a dynamic pH junction mechanism when transferred from the first separation to the second separation. In addition, the system has been used to perform a comprehensive two-dimensional capillary electrophoresis separation of tryptic digest of bovine serum albumin using capillary zone electrophoresis followed by micellar electrokinetic chromatography.
A Two-dimensional Magnetohydrodynamics Scheme for General Unstructured Grids
Livne, Eli; Dessart, Luc; Burrows, Adam; Meakin, Casey A.
2007-05-01
We report a new finite-difference scheme for two-dimensional magnetohydrodynamics (MHD) simulations, with and without rotation, in unstructured grids with quadrilateral cells. The new scheme is implemented within the code VULCAN/2D, which already includes radiation hydrodynamics in various approximations and can be used with arbitrarily moving meshes (ALEs). The MHD scheme, which consists of cell-centered magnetic field variables, preserves the nodal finite difference representation of divB by construction, and therefore any initially divergence-free field remains divergence-free through the simulation. In this paper, we describe the new scheme in detail and present comparisons of VULCAN/2D results with those of the code ZEUS/2D for several one-dimensional and two-dimensional test problems. The code now enables two-dimensional simulations of the collapse and explosion of the rotating, magnetic cores of massive stars. Moreover, it can be used to simulate the very wide variety of astrophysical problems for which multidimensional radiation magnetohydrodynamics (RMHD) is relevant.
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.
A two-dimensional analytical model of petroleum vapor intrusion
Yao, Yijun; Verginelli, Iason; Suuberg, Eric M.
2016-02-01
In this study we present an analytical solution of a two-dimensional petroleum vapor intrusion model, which incorporates a steady-state diffusion-dominated vapor transport in a homogeneous soil and piecewise first-order aerobic biodegradation limited by oxygen availability. This new model can help practitioners to easily generate two-dimensional soil gas concentration profiles for both hydrocarbons and oxygen and estimate hydrocarbon indoor air concentrations as a function of site-specific conditions such as source strength and depth, reaction rate constant, soil characteristics and building features. The soil gas concentration profiles generated by this new model are shown in good agreement with three-dimensional numerical simulations and two-dimensional measured soil gas data from a field study. This implies that for cases involving diffusion dominated soil gas transport, steady state conditions and homogenous source and soil, this analytical model can be used as a fast and easy-to-use risk screening tool by replicating the results of 3-D numerical simulations but with much less computational effort.
Augmented reality simulator for training in two-dimensional echocardiography.
Weidenbach, M; Wick, C; Pieper, S; Quast, K J; Fox, T; Grunst, G; Redel, D A
2000-02-01
In two-dimensional echocardiography the sonographer must synthesize multiple tomographic slices into a mental three-dimensional (3D) model of the heart. Computer graphics and virtual reality environments are ideal to visualize complex 3D spatial relationships. In augmented reality (AR) applications, real and virtual image data are linked, to increase the information content. In the presented AR simulator a 3D surface model of the human heart is linked with echocardiographic volume data sets. The 3D echocardiographic data sets are registered with the heart model to establish spatial and temporal congruence. The heart model, together with an animated ultrasound sector represents a reference scenario, which displays the currently selected two-dimensional echocardiographic cutting plane calculated from the volume data set. Modifications of the cutting plane within the echocardiographic data are transferred and visualized simultaneously and in real time within the reference scenario. The trainee can interactively explore the 3D heart model and the registered 3D echocardiographic data sets by an animated ultrasound probe, whose position is controlled by an electromagnetic tracking system. The tracking system is attached to a dummy transducer and placed on a plastic puppet to give a realistic impression of a two-dimensional echocardiographic examination.
Two-dimensional oxides: multifunctional materials for advanced technologies.
Pacchioni, Gianfranco
2012-08-13
The last decade has seen spectacular progress in the design, preparation, and characterization down to the atomic scale of oxide ultrathin films of few nanometers thickness grown on a different material. This has paved the way towards several sophisticated applications in advanced technologies. By playing around with the low-dimensionality of the oxide layer, which sometimes leads to truly two-dimensional systems, one can exploit new properties and functionalities that are not present in the corresponding bulk materials or thick films. In this review we provide some clues about the most recent advances in the design of these systems based on modern electronic structure theory and on their preparation and characterization with specifically developed growth techniques and analytical methods. We show how two-dimensional oxides can be used in mature technologies by providing added value to existing materials, or in new technologies based on completely new paradigms. The fields in which two-dimensional oxides are used are classified based on the properties that are exploited, chemical or physical. With respect to chemical properties we discuss use of oxide ultrathin films in catalysis, solid oxide fuel cells, gas sensors, corrosion protection, and biocompatible materials; regarding the physical properties we discuss metal-oxide field effect transistors and memristors, spintronic devices, ferroelectrics and thermoelectrics, and solar energy materials. Copyright © 2012 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.
Blackwell, Martin; Turner, Ben; Granger, Steve; Hooper, Tony; Darch, Tegan; Hawkins, Jane; Yuan, Huimin; McGrath, Steve
2015-04-01
The technique of 31P-NMR spectroscopy has done more to advance the knowledge of phosphorus forms (especially organic phosphorus) in environmental samples than any other method. The technique has advanced such that specific compounds can be identified where previously only broad categories such as orthophosphate monoesters and diesters were distinguishable. The Soil Archive and Long Term Experiments at Rothamsted Research, UK, potentially provides an unequalled opportunity to use this technique to observe changes in soil phosphorus compounds with time and under different treatments, thereby enhancing our understanding of phosphorus cycling and use by plants. Some of the earliest work using this technique on soils was carried out by Hawkes et al. in 1984 and this used soils from two of the oldest Rothamsted Long Term Experiments, namely Highfield and Park Grass. Here we revisit the samples studied in this early work and reanalyse them using current methodology to demonstrate how the 31P-NMR technique has advanced. We also present results from a study on the phosphorus chemistry in soils along the Hoosfield acid strip (Rothamsted, UK), where a pH gradient from 3.7 to 7.8 occurs in a single soil with little variation in total phosphorus (mean ± standard deviation 399 ± 27 mg P kg-1). Soil pH was found to be an important factor in determining the proportion of phosphomonoesters and phosphodiesters in the soil organic phosphorus, although total organic phosphorus concentrations were a relatively consistent proportion of the total soil phosphorus (36 ± 2%) irrespective of soil pH. Key words. 31P-NMR, soil organic phosphorus, long term experiments, Hoosfield acid strip
Directory of Open Access Journals (Sweden)
D. A. Fetisov
2015-01-01
Full Text Available The controllability conditions are well known if we speak about linear stationary systems: a linear stationary system is controllable if and only if the dimension of the state vector is equal to the rank of the controllability matrix. The concept of the controllability matrix is extended to affine systems, but relations between affine systems controllability and properties of this matrix are more complicated. Various controllability conditions are set for affine systems, but they deal as usual either with systems of some special form or with controllability in some small neighborhood of the concerned point. An affine system is known to be controllable if the system is equivalent to a system of a canonical form, which is defined and regular in the whole space of states. In this case, the system is said to be feedback linearizable in the space of states. However there are examples, which illustrate that a system can be controllable even if it is not feedback linearizable in any open subset in the space of states. In this article we deal with such systems.Affine systems with two-dimensional control are considered. The system in question is assumed to be equivalent to a system of a quasicanonical form with two-dimensional zero dynamics which is defined and regular in the whole space of states. Therefore the controllability of the original system is equivalent to the controllability of the received system of a quasicanonical form. In this article the sufficient condition for an available solution of the terminal problem is proven for systems of a quasicanonical form with two-dimensional control and two-dimensional zero dynamics. The condition is valid in the case of an arbitrary time interval and arbitrary initial and finite states of the system. Therefore the controllability condition is set for systems of a quasicanonical form with two-dimensional control and two-dimensional zero dynamics. An example is given which illustrates how the proved
Wang, Xiaoxiao; Wang, Huan; Huang, Jinfeng; Zhou, Yifeng; Tzvetanov, Tzvetomir
2017-01-01
The contrast sensitivity function that spans the two dimensions of contrast and spatial frequency is crucial in predicting functional vision both in research and clinical applications. In this study, the use of Bayesian inference was proposed to determine the parameters of the two-dimensional contrast sensitivity function. Two-dimensional Bayesian inference was extensively simulated in comparison to classical one-dimensional measures. Its performance on two-dimensional data gathered with different sampling algorithms was also investigated. The results showed that the two-dimensional Bayesian inference method significantly improved the accuracy and precision of the contrast sensitivity function, as compared to the more common one-dimensional estimates. In addition, applying two-dimensional Bayesian estimation to the final data set showed similar levels of reliability and efficiency across widely disparate and established sampling methods (from classical one-dimensional sampling, such as Ψ or staircase, to more novel multi-dimensional sampling methods, such as quick contrast sensitivity function and Fisher information gain). Furthermore, the improvements observed following the application of Bayesian inference were maintained even when the prior poorly matched the subject's contrast sensitivity function. Simulation results were confirmed in a psychophysical experiment. The results indicated that two-dimensional Bayesian inference of contrast sensitivity function data provides similar estimates across a wide range of sampling methods. The present study likely has implications for the measurement of contrast sensitivity function in various settings (including research and clinical settings) and would facilitate the comparison of existing data from previous studies. PMID:28119563
NMR Analysis of Unknowns: An Introduction to 2D NMR Spectroscopy
Alonso, David E.; Warren, Steven E.
2005-01-01
A study combined 1D (one-dimensional) and 2D (two-dimensional) NMR spectroscopy to solve structural organic problems of three unknowns, which include 2-, 3-, and 4-heptanone. Results showed [to the first power]H NMR and [to the thirteenth power]C NMR signal assignments for 2- and 3-heptanone were more challenging than for 4-heptanone owing to the…
NMR Analysis of Unknowns: An Introduction to 2D NMR Spectroscopy
Alonso, David E.; Warren, Steven E.
2005-01-01
A study combined 1D (one-dimensional) and 2D (two-dimensional) NMR spectroscopy to solve structural organic problems of three unknowns, which include 2-, 3-, and 4-heptanone. Results showed [to the first power]H NMR and [to the thirteenth power]C NMR signal assignments for 2- and 3-heptanone were more challenging than for 4-heptanone owing to the…
Institute of Scientific and Technical Information of China (English)
XU Quan; TIAN Qiang
2009-01-01
We restrict our attention to the discrete two-dimensional monatomic β-FPU lattice. We look for twodimensional breather lattice solutions and two-dimensional compact-like discrete breathers by using trying method and analyze their stability by using Aubry's linearly stable theory. We obtain the conditions of existence and stability of two-dimensional breather lattice solutions and two-dimensional compact-like discrete breathers in the discrete twodimensional monatomic β-FPU lattice.
Kumar, Dinesh
2013-01-01
Sequence specific resonance assignment and secondary structure determination of proteins form the basis for variety of structural and functional proteomics studies by NMR. In this context, an efficient standalone method for rapid assignment of backbone (1H, 15N, 13Ca and 13C') resonances and secondary structure determination of proteins has been presented here. Compared to currently available strategies used for the purpose, the method employs only a single reduced dimensionality (RD) experiment -(4,3)D-hnCOCANH and exploits the linear combinations of backbone (13Ca and 13C') chemical shifts to achieve a dispersion relatively better compared to those of individual chemical shifts (see the text) for efficient and rapid data analysis. Further, the experiment leads to the spectrum with direct distinction of self (intra-residue) and sequential (inter-residue) carbon correlation peaks; these appear opposite in signs and therefore can easily be discriminated without using an additional complementary experiment. On ...
A discussion of $Bl$ conservation on a two dimensional magnetic field plane in watt balances
Li, Shisong; Huang, Songling
2015-01-01
The watt balance is an experiment being pursued in national metrology institutes for precision determination of the Planck constant $h$. In watt balances, the $1/r$ magnetic field, expected to generate a geometrical factor $Bl$ independent to any coil horizontal displacement, can be created by a strict two dimensional, symmetric (horizontal $r$ and vertical $z$) construction of the magnet system. In this paper, we present an analytical understanding of magnetic field distribution when the $r$ symmetry of the magnet is broken and the establishment of the $Bl$ conservation is shown. By using either Gauss's law on magnetism with monopoles or conformal transformations, we extend the $Bl$ conservation to arbitrary two dimensional magnetic planes where the vertical magnetic field component equals zero. The generalized $Bl$ conservation allows a relaxed physical alignment criteria for watt balance magnet systems.
Driving performance of a two-dimensional homopolar linear DC motor
Energy Technology Data Exchange (ETDEWEB)
Wang, Y.; Yamaguchi, M.; Kano, Y. [Tokyo University of Agriculture and Technology, Tokyo (Japan)
1998-05-01
This paper presents a novel two-dimensional homopolar linear de motor (LDM) which can realize two-dimensional (2-D) motion. For position control purposes, two kinds of position detecting methods are proposed. The position in one position is detected by means of a capacitive sensor which makes the output of the sensor partially immune to the variation of the gap between electrodes. The position in the other direction is achieved by exploiting the position dependent property of the driving coil inductance, instead of using an independent sensor. The position control is implemented on the motor and 2-D tracking performance is analyzed. Experiments show that the motor demonstrates satisfactory driving performance, 2-D tracking error being within 5.5% when the angular frequency of reference signal is 3.14 rad./s. 7 refs., 17 figs., 2 tabs.
Freely configurable quantum simulator based on a two-dimensional array of individually trapped ions
Mielenz, Manuel; Wittemer, Matthias; Hakelberg, Frederick; Schmied, Roman; Blain, Matthew; Maunz, Peter; Leibfried, Dietrich; Warring, Ulrich; Schaetz, Tobias
2015-01-01
A custom-built and precisely controlled quantum system may offer access to a fundamental understanding of another, less accessible system of interest. A universal quantum computer is currently out of reach, but an analog quantum simulator that makes the relevant observables, interactions, and states of a quantum model accessible could permit experimental insight into complex quantum dynamics that are intractable on conventional computers. Several platforms have been suggested and proof-of-principle experiments have been conducted. Here we characterise two-dimensional arrays of three ions trapped by radio-frequency fields in individually controlled harmonic wells forming equilateral triangles with side lengths 40 and 80 micrometer. In our approach, which is scalable to arbitrary two dimensional lattices, we demonstrate individual control of the electronic and motional degrees of freedom, preparation of a fiducial initial state with ion motion close to the ground state, as well as tuning of crucial couplings be...
Fraga, Hugo; Arnaud, Charles-Adrien; Gauto, Diego; Audin, Maxime; Kurauskas, Vilius; Macek, Pavel,; Krichel, Carsten; Guan, Jia-Ying; Boisbouvier, Jérôme; Sprangers, Remco; Breyton, Cecile,; Schanda, Paul
2017-01-01
International audience; Solid-state NMR can provide insight into protein structure and dynamics at the atomic level without inherent protein size limitations. However, a major hurdle to studying large proteins by solid-state NMR spectroscopy is related to spectral complexity and resonance overlap, which increase with molecular weight and severely hamper the assignment process. Here we show the use of two sets of experiments that expand the tool kit of 1H-detected assignment approaches, and wh...
Lu, Yanbin; Sun, Cuirong; Wang, Yu; Pan, Yuanjiang
2007-06-01
A two-dimensional counter-current chromatographic system (2D-CCC) for preparative isolation and purification of three prenylflavonoids from Artocarpus altilis is presented. An upright CCC instrument (CCC1, total capacity: 1600 ml) was used as the first dimension. Effluent of interest from CCC1 was collected on-line into a 30 ml sample loop by a laboratory-prepared column-switching interface and introduced into a high-speed CCC instrument (CCC2, total capacity: 210 ml) for the second dimension separation. With this 2D-CCC system and a pair of two-phase solvent systems composed of n-hexane-ethyl acetate-methanol-water (5:5:7:3 and 5:5:6.5:3.5, v/v/v/v), which had been selected by high-speed CCC, about a 500 mg amount of the crude extract was separated, yielding 9 mg of compound 1, 28 mg of compound 2 and 78 mg of compound 3. The purities of the three prenylflavonoids were 98.7 (1), 98.3 (2) and 97.2% (3), respectively, as determined by HPLC analysis. Their chemical structures were identified by electrospray ionization MS, (1)H NMR and (13)C NMR.
The characters of nonlinear vibration in the two-dimensional discrete monoatomic lattice
Institute of Scientific and Technical Information of China (English)
XU Quan; TIAN Qiang
2005-01-01
The two-dimensional discrete monoatomic lattice is analyzed. Taking nearest-neighbor interaction into account, the characters of the nonlinear vibration in two-dimensional discrete monoatomic lattice are described by the two-dimensional cubic nonlinear Schrodinger equation. Considering the quartic nonlinear potential, the two-dimensional discrete-soliton trains and the solutions perturbed by the neck mode are presented.
Lindh, E. L.; Stilbs, P.; Furó, I.
2016-07-01
We investigate a way one can achieve good spectral resolution in 2H MAS NMR experiments. The goal is to be able to distinguish between and study sites in various deuterated materials with small chemical shift dispersion. We show that the 2H MAS NMR spectra recorded during a spin-relaxation experiment are amenable to spectral decomposition because of the different evolution of spectral components during the relaxation delay. We verify that the results are robust by global least-square fitting of the spectral series both under the assumption of specific line shapes and without such assumptions (COmponent-REsolved spectroscopy, CORE). In addition, we investigate the reliability of the developed protocol by analyzing spectra simulated with different combinations of spectral parameters. The performance is demonstrated in a model material of deuterated poly(methacrylic acid) that contains two 2H spin populations with similar chemical shifts but different quadrupole splittings. In 2H-exchanged cellulose containing two 2H spin populations with very similar chemical shifts and quadrupole splittings, the method provides new site-selective information about the molecular dynamics.
The potential for profiling endogenous metabolites in urine from male fathead minnows (Pimephales promelas) to assess chemical exposures was explored using nuclear magnetic resonance (NMR) spectroscopy. Both one dimensional (1D) and two dimensional (2D) NMR spectroscopy w...
Nonlinear acoustic propagation in two-dimensional ducts
Nayfeh, A. H.; Tsai, M.-S.
1974-01-01
The method of multiple scales is used to obtain a second-order uniformly valid expansion for the nonlinear acoustic wave propagation in a two-dimensional duct whose walls are treated with a nonlinear acoustic material. The wave propagation in the duct is characterized by the unsteady nonlinear Euler equations. The results show that nonlinear effects tend to flatten and broaden the absorption versus frequency curve, in qualitative agreement with the experimental observations. Moreover, the effect of the gas nonlinearity increases with increasing sound frequency, whereas the effect of the material nonlinearity decreases with increasing sound frequency.
Two-dimensional dispersive shock waves in dissipative optical media
Kartashov, Yaroslav V
2013-01-01
We study generation of two-dimensional dispersive shock waves and oblique dark solitons upon interaction of tilted plane waves with negative refractive index defects embedded into defocusing material with linear gain and two-photon absorption. Different evolution regimes are encountered including the formation of well-localized disturbances for input tilts below critical one, and generation of extended shock waves containing multiple intensity oscillations in the "upstream" region and gradually vanishing oblique dark solitons in "downstream" region for input tilts exceeding critical one. The generation of stable dispersive shock waves is possible only below certain critical defect strength.
Three-dimensional versus two-dimensional vision in laparoscopy
DEFF Research Database (Denmark)
Sørensen, Stine Maya Dreier; Savran, Mona M; Konge, Lars;
2016-01-01
BACKGROUND: Laparoscopic surgery is widely used, and results in accelerated patient recovery time and hospital stay were compared with laparotomy. However, laparoscopic surgery is more challenging compared with open surgery, in part because surgeons must operate in a three-dimensional (3D) space...... 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...
The Rare Two-Dimensional Materials with Dirac Cones
Wang, Jinying; Deng, Shibin; Liu, Zhongfan; Liu, Zhirong
2014-01-01
Inspired by the great development of graphene, more and more works have been conducted to seek new two-dimensional (2D) materials with Dirac cones. Although 2D Dirac materials possess many novel properties and physics, they are rare compared with the numerous 2D materials. To provide explanation for the rarity of 2D Dirac materials as well as clues in searching for new Dirac systems, here we review the recent theoretical aspects of various 2D Dirac materials, including graphene, silicene, ger...
Magnetic reconnection in two-dimensional magnetohydrodynamic turbulence.
Servidio, S; Matthaeus, W H; Shay, M A; Cassak, P A; Dmitruk, P
2009-03-20
Systematic analysis of numerical simulations of two-dimensional magnetohydrodynamic turbulence reveals the presence of a large number of X-type neutral points where magnetic reconnection occurs. We examine the statistical properties of this ensemble of reconnection events that are spontaneously generated by turbulence. The associated reconnection rates are distributed over a wide range of values and scales with the geometry of the diffusion region. Locally, these events can be described through a variant of the Sweet-Parker model, in which the parameters are externally controlled by turbulence. This new perspective on reconnection is relevant in space and astrophysical contexts, where plasma is generally in a fully turbulent regime.
Logarithmic divergent thermal conductivity in two-dimensional nonlinear lattices.
Wang, Lei; Hu, Bambi; Li, Baowen
2012-10-01
Heat conduction in three two-dimensional (2D) momentum-conserving nonlinear lattices are numerically calculated via both nonequilibrium heat-bath and equilibrium Green-Kubo algorithms. It is expected by mainstream theories that heat conduction in such 2D lattices is divergent and the thermal conductivity κ increases with lattice length N logarithmically. Our simulations for the purely quartic lattice firmly confirm it. However, very robust finite-size effects are observed in the calculations for the other two lattices, which well explain some existing studies and imply the extreme difficulties in observing their true asymptotic behaviors with affordable computation resources.
Two-dimensionally confined topological edge states in photonic crystals
Barik, Sabyasachi; Miyake, Hirokazu; DeGottardi, Wade; Waks, Edo; Hafezi, Mohammad
2016-11-01
We present an all-dielectric photonic crystal structure that supports two-dimensionally confined helical topological edge states. The topological properties of the system are controlled by the crystal parameters. An interface between two regions of differing band topologies gives rise to topological edge states confined in a dielectric slab that propagate around sharp corners without backscattering. Three-dimensional finite-difference time-domain calculations show these edges to be confined in the out-of-plane direction by total internal reflection. Such nanoscale photonic crystal architectures could enable strong interactions between photonic edge states and quantum emitters.
Two-Dimensionally Confined Topological Edge States in Photonic Crystals
Barik, Sabyasachi; DeGottardi, Wade; Waks, Edo; Hafezi, Mohammad
2016-01-01
We present an all-dielectric photonic crystal structure that supports two-dimensionally confined helical topological edge states. The topological properties of the system are controlled by the crystal parameters. An interface between two regions of differing band topologies gives rise to topological edge states confined in a dielectric slab that propagate around sharp corners without backscattering. Three dimensional finite-difference time-domain calculations show these edges to be confined in the out-of-plane direction by total internal reflection. Such nanoscale photonic crystal architectures could enable strong interactions between photonic edge states and quantum emitters.
Theories on Frustrated Electrons in Two-Dimensional Organic Solids
Directory of Open Access Journals (Sweden)
Chisa Hotta
2012-08-01
Full Text Available Two-dimensional quarter-filled organic solids are a promising class of materials to realize the strongly correlated insulating states called dimer Mott insulator and charge order. In their conducting layer, the molecules form anisotropic triangular lattices, harboring geometrical frustration effect, which could give rise to many interesting states of matter in the two insulators and in the metals adjacent to them. This review is concerned with the theoretical studies on such issue over the past ten years, and provides the systematic understanding on exotic metals, dielectrics, and spin liquids, which are the consequences of the competing correlation and fluctuation under frustration.