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Sample records for two-dimensional glass-forming liquid

  1. 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...

  2. 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...

  3. Glass-forming liquids: one or more "order" parameters"

    DEFF Research Database (Denmark)

    Bailey, Nicholas; Christensen, Tage Emil; Jakobsen, Bo

    2008-01-01

    that a description with a single "order" parameter applies to a good approximation whenever thermal equilibrium fluctuations of fundamental variables like energy and pressure are strongly correlated. Results from computer simulations showing that this is the case for a number of simple glass-forming liquids, as well......We first summarize the classical arguments that the vast majority of glass-forming liquids require more than one ‘order' parameter for their description. Critiques against this conventional wisdom are then presented, and it is argued that the matter deserves to be reconsidered in the light...... as a few exceptions, are briefly presented. Finally, we briefly discuss a new conjecture according to which experiments at varying temperature and pressure follow the density scaling expression for the relaxation time, τ = F(ρ^x/T ) (ρ and T are density and temperature), if and only if the liquid...

  4. Structural disorder in metallic glass-forming liquids

    OpenAIRE

    Shao-Peng Pan; Shi-Dong Feng; Li-Min Wang; Jun-Wei Qiao; Xiao-Feng Niu; Bang-Shao Dong; Wei-Min Wang; Jing-Yu Qin

    2016-01-01

    We investigated structural disorder by a new structural parameter, quasi-nearest atom (QNA), in atomistic configurations of eight metallic glass-forming systems generated through molecular dynamics simulations at various temperatures. Structural analysis reveals that the scaled distribution of the number of QNA appears to be an universal property of metallic liquids and the spatial distribution of the number of QNA displays to be clearly heterogeneous. Furthermore, the new parameter can be di...

  5. Glass-Forming Ability of Soda Lime Borate Liquids

    DEFF Research Database (Denmark)

    Zheng, Qiuju; Mauro, J.C.; Smedskjær, Morten Mattrup

    2012-01-01

    We investigate the composition dependence of glass-forming ability (GFA) of a series of iron-containing soda lime borate liquids by substituting Na2O for B2O3. We have characterized GFA by measuring the glass stability against crystallization using a differential scanning calorimeter (DSC......). The results show that the GFA decreases when substituting Na2O for B2O3. Moreover, we find that there is no direct link between the kinetic fragility and GFA for the soda lime borate series studied herein. We have also discovered and clarified a striking thermal history dependence of the glass stability...

  6. TOPICAL REVIEW On the glass forming ability of liquid alloys

    Directory of Open Access Journals (Sweden)

    Yoshio Waseda et al

    2008-01-01

    Full Text Available By using the concepts of the short-range order (SRO and middle-range order (MRO characterizing structures, an attempt has been made to describe the glass forming ability (GFA of liquid alloys. This includes the effect of more than two kinds of SRO in the liquid caused by the addition of second and third elements to a metallic solvent. The minimum solute concentration is related to the atomic volume mismatch estimated from the cube of the atomic radius. The optimum solute concentration for good glass formability in several binary and some ternary alloys is discussed on the basis of the empirical guideline. A new approach to obtaining good GFA of liquid alloys is based on four main factors: (i formation of new SRO and coexistence of two or more kinds of SRO, (ii stabilization of dense random packing structure by restraining the atomic redistribution for initiating the nucleation and growth process, (iii formation of a stable cluster (SC or the MRO by the harmonious coupling of SROs, and (iv difference between SRO characterizing the liquid structure and the near-neighbor environment in the corresponding equilibrium crystalline phases. The use of interaction parameters, widely used in the thermodynamics of multicomponent metallic solutions, is proposed for effectively selecting the third solute element (X3 for enhancing the GFA of a metallic liquid (M containing the second solute (X2. Fe70-B20-(X310 alloys (X3=Cr, W, Nb, Zr and Hf are used for illustration. Two typical model structures denoted by the Bernal and chemical-order types are used in describing the new glass structure as a function of solute concentration.

  7. Non-equilibrium dynamics of glass-forming liquid mixtures.

    Science.gov (United States)

    Sánchez-Díaz, Luis Enrique; Lázaro-Lázaro, Edilio; Olais-Govea, José Manuel; Medina-Noyola, Magdaleno

    2014-06-21

    The non-equilibrium self-consistent generalized Langevin equation theory of irreversible processes in glass-forming liquids [P. Ramírez-González and M. Medina-Noyola, Phys. Rev. E 82, 061503 (2010)] is extended here to multi-component systems. The resulting theory describes the statistical properties of the instantaneous local particle concentration profiles nα(r, t) of species α in terms of the coupled time-evolution equations for the mean value n̄α(r, t) and for the covariance σ(αβ)(r, r'; t) ≡ δn(α)(r, t)δn(β)(r', t) of the fluctuations δn(α)(r, t) = n(α)(r, t) - n̄α(r, t). As in the monocomponent case, these two coarse-grained equations involve a local mobility function bα(r, t) for each species, written in terms of the memory function of the two-time correlation function C(αβ)(r, r'; t, t') ≡ δn(α)(r, t)δn(β)(r', t'). If the system is constrained to remain spatially uniform and subjected to a non-equilibrium preparation protocol described by a given temperature and composition change program T(t) and n̄α(r, t), these equations predict the irreversible structural relaxation of the partial static structure factors Sαβ(k; t) and of the (collective and self) intermediate scattering functions Fαβ(k, τ; t) and F(αβ)(S)(k, τ; t). We illustrate the applicability of the resulting theory with two examples involving simple model mixtures subjected to an instantaneous temperature quench: an electroneutral binary mixture of equally sized and oppositely charged hard-spheres, and a binary mixture of soft-spheres of moderate size-asymmetry.

  8. A Modified Glass Formation Criterion for Various Glass Forming Liquids with Higher Reliability

    Institute of Scientific and Technical Information of China (English)

    X.H.Du; J.C.Huang

    2007-01-01

    A modified indicator of the glass forming ability (GFA) from the previous γ= Tx/(Tl+Tg) for various glass forming liquids is proposed based on a conceptual approach which combines more acceptable physical metallurgy views in terms of the time-temperature-transformation diagrams. It is found that the glass forming ability for glass forming liquids is closely associated mainly with two factors, i.e. (2Tx-Tg) and Tl (wherein Tx is the onset crystallization temperature, Tg the glass transition temperature, and Tl the liquidus temperature), and could be predicated by a unified parameter γm defined as (2Tx-Tg)/Tl. This approach is confirmed and validated by experimental data in various glass forming systems including oxide glasses, cryoprotectants and metallic glasses, which all shows a higher reliability when their glass forming ability is predicted by the modified parameter.

  9. Correlation between liquid structure and glass forming ability in glassy Ag-based binary alloys

    Institute of Scientific and Technical Information of China (English)

    2010-01-01

    The atomic structures of liquid Ag-based binary alloys have been investigated in the solidification process by means of X-ray diffraction. The results of liquid structure show that there is a break point in the mean nearest neighbor distance r1 and the coordination number Nmin for glass-forming liquid, while the correlation radius rc and the coordination number Nmin display a monotone variational trend above the break point. It means glass-forming liquids have a steady changing in structure above liquidus and more inhomogeneous state at liquidus. We conclude that there is a strong correlation between liquid structure and glass forming ability in Ag-based binary alloys.

  10. Communication: Non-Newtonian rheology of inorganic glass-forming liquids: Universal patterns and outstanding questions

    Science.gov (United States)

    Zhu, W.; Aitken, B. G.; Sen, S.

    2017-02-01

    All families of inorganic glass-forming liquids display non-Newtonian rheological behavior in the form of shear thinning at high shear rates. Experimental evidence is presented to demonstrate the existence of remarkable universality in this behavior, irrespective of chemical composition, structure, topology, and viscosity. However, contrary to intuition, in all cases the characteristic shear rates that mark the onset of shear thinning in these liquids are orders of magnitude slower than the global shear relaxation rates. Attempt is made to reconcile such differences within the framework of the cooperative structural relaxation model of glass-forming liquids.

  11. On the possible existence of crystallites in glass-forming liquids

    DEFF Research Database (Denmark)

    Dyre, Jeppe

    We speculate that glass-forming liquids may contain fairly large and well-defined crystallites. This is based on arguing that the slowly relaxing "frozen-in" stresses characterizing ultraviscous liquids increase the barrier for nucleation, thus allowing for larger unstable crystallites than other...

  12. Molecular dynamics simulations of glycerol glass-forming liquid

    Energy Technology Data Exchange (ETDEWEB)

    Blieck, J. [Laboratoire de Dynamique et Structure des Materiaux Moleculaires, CNRS UMR 8024, BAT P5-Cite Scientifique, Universite Lille I, 59655 Villeneuve d' Ascq Cedex (France); Affouard, F. [Laboratoire de Dynamique et Structure des Materiaux Moleculaires, CNRS UMR 8024, BAT P5-Cite Scientifique, Universite Lille I, 59655 Villeneuve d' Ascq Cedex (France)], E-mail: frederic.affouard@univ-lille1.fr; Bordat, P. [Laboratoire de Dynamique et Structure des Materiaux Moleculaires, CNRS UMR 8024, BAT P5-Cite Scientifique, Universite Lille I, 59655 Villeneuve d' Ascq Cedex (France); Lerbret, A. [Laboratoire de Dynamique et Structure des Materiaux Moleculaires, CNRS UMR 8024, BAT P5-Cite Scientifique, Universite Lille I, 59655 Villeneuve d' Ascq Cedex (France); Descamps, M. [Laboratoire de Dynamique et Structure des Materiaux Moleculaires, CNRS UMR 8024, BAT P5-Cite Scientifique, Universite Lille I, 59655 Villeneuve d' Ascq Cedex (France)

    2005-10-31

    Structural and dynamical properties of liquid glycerol have been investigated by Molecular Dynamics simulations. An improved model based on a slight reparametrisation of the all-atoms AMBER force field used in [R. Chelli, P. Procacci, G. Cardini, R.G.D. Valle, S. Califano, Phys. Chem. Chem. Phys. 1 (1999) 871] is presented. The structure remains satisfactory, qualitatively similar to that obtained from the original model. This new model is also found to reproduce significantly better the diffusion coefficient and the correlations times as they can be deduced from neutron spin echo (NSE) experiments. Structural heterogeneities revealed as a pre-peak of the static structure factor S(Q) close to Q {approx} 0.6 A{sup -1} are observed. Our results are also found compatible with predictions of the Mode Coupling Theory.

  13. Are the dynamics of silicate glasses and glass-forming liquids embedded in their elastic properties?

    DEFF Research Database (Denmark)

    Smedskjær, Morten Mattrup; Mauro, John C.

    According to the elastic theory of the glass transition, the dynamics of glasses and glass-forming liquids are controlled by the evolution of shear modulus. In particular, the elastic shoving model expresses dynamics in terms of an activation energy required to shove aside the surrounding atoms, ...... of the silicate glass transition are governed by additional factors beyond the evolution of the shear modulus....

  14. Crossover to potential energy landscape dominated dynamics in a model glass-forming liquid

    DEFF Research Database (Denmark)

    Schrøder, Thomas; Sastry, S.; Dyre, Jeppe;

    2000-01-01

    An equilibrated model glass-forming liquid is studied by mapping successive configurations produced by molecular dynamics simulation onto a time series of inherent structures (local minima in the potential energy). Using this "inherent dynamics" approach we find direct numerical evidence for the ...

  15. Exploring the Origin of Fragile-to-Strong Transition in Some Glass-Forming Liquids

    DEFF Research Database (Denmark)

    Yue, Yuanzheng; Hu, L. N.

    2014-01-01

    The slow dynamics of glass-forming liquids is a complex subject of the condensed matter science. But the fragile-to-strong transition, which was observed not long ago [Ito, et al, Nature 1999], makes this subject even more complex since it is extremely challenging to directly probe the structural...

  16. Structural origin of fractional Stokes-Einstein relation in glass-forming liquids

    Science.gov (United States)

    Pan, Shaopeng; Wu, Z. W.; Wang, W. H.; Li, M. Z.; Xu, Limei

    2017-01-01

    In many glass-forming liquids, fractional Stokes-Einstein relation (SER) is observed above the glass transition temperature. However, the origin of such phenomenon remains elusive. Using molecular dynamics simulations, we investigate the break- down of SER and the onset of fractional SER in a model of metallic glass-forming liquid. We find that SER breaks down when the size of the largest cluster consisting of trapped atoms starts to increase sharply at which the largest cluster spans half of the simulations box along one direction, and the fractional SER starts to follows when the largest cluster percolates the entire system and forms 3-dimentional network structures. Further analysis based on the percolation theory also confirms that percolation occurs at the onset of the fractional SER. Our results directly link the breakdown of the SER with structure inhomogeneity and onset of the fraction SER with percolation of largest clusters, thus provide a possible picture for the break- down of SER and onset of fractional SER in glass-forming liquids, which is is important for the understanding of the dynamic properties in glass-forming liquids.

  17. Communication: High pressure specific heat spectroscopy reveals simple relaxation behavior of glass forming molecular liquid

    DEFF Research Database (Denmark)

    Roed, Lisa Anita; Niss, Kristine; Jakobsen, Bo

    2015-01-01

    The frequency dependent specific heat has been measured under pressure for the molecular glass forming liquid 5-polyphenyl-4-ether in the viscous regime close to the glass transition. The temperature and pressure dependences of the characteristic time scale associated with the specific heat...

  18. Structural origin of fractional Stokes-Einstein relation in glass-forming liquids

    Science.gov (United States)

    Pan, Shaopeng; Wu, Z. W.; Wang, W. H.; Li, M. Z.; Xu, Limei

    2017-01-01

    In many glass-forming liquids, fractional Stokes-Einstein relation (SER) is observed above the glass transition temperature. However, the origin of such phenomenon remains elusive. Using molecular dynamics simulations, we investigate the break- down of SER and the onset of fractional SER in a model of metallic glass-forming liquid. We find that SER breaks down when the size of the largest cluster consisting of trapped atoms starts to increase sharply at which the largest cluster spans half of the simulations box along one direction, and the fractional SER starts to follows when the largest cluster percolates the entire system and forms 3-dimentional network structures. Further analysis based on the percolation theory also confirms that percolation occurs at the onset of the fractional SER. Our results directly link the breakdown of the SER with structure inhomogeneity and onset of the fraction SER with percolation of largest clusters, thus provide a possible picture for the break- down of SER and onset of fractional SER in glass-forming liquids, which is is important for the understanding of the dynamic properties in glass-forming liquids. PMID:28059111

  19. Linking structure to fragility in bulk metallic glass-forming liquids

    Energy Technology Data Exchange (ETDEWEB)

    Wei, Shuai, E-mail: shuai.wei@asu.edu, E-mail: m.stolpe@mx.uni-saarland.de [Department of Materials Science and Engineering, Saarland University, Campus C63, 66123 Saarbrücken (Germany); Department of Chemistry and Biochemistry, Arizona State University, Tempe, Arizona 85287 (United States); Stolpe, Moritz, E-mail: shuai.wei@asu.edu, E-mail: m.stolpe@mx.uni-saarland.de; Gross, Oliver; Gallino, Isabella; Hembree, William; Busch, Ralf [Department of Materials Science and Engineering, Saarland University, Campus C63, 66123 Saarbrücken (Germany); Evenson, Zach [Department of Materials Science and Engineering, Saarland University, Campus C63, 66123 Saarbrücken (Germany); Institut für Materialphysik im Weltraum, Deutsches Zentrum für Luft- und Raumfahrt (DLR), 51170 Köln (Germany); Bednarcik, Jozef [Deutsches Elektronen-Synchrotron DESY, Notkestrasse 85, D-22603 Hamburg (Germany); Kruzic, Jamie J. [Material Science, School of Mechanical, Industrial, and Manufacturing Engineering, Oregon State University, Corvallis, Oregon 97331 (United States)

    2015-05-04

    Using in-situ synchrotron X-ray scattering, we show that the structural evolution of various bulk metallic glass-forming liquids can be quantitatively connected to their viscosity behavior in the supercooled liquid near T{sub g}. The structural signature of fragility is identified as the temperature dependence of local dilatation on distinct key atomic length scales. A more fragile behavior results from a more pronounced thermally induced dilatation of the structure on a length scale of about 3 to 4 atomic diameters, coupled with shallower temperature dependence of structural changes in the nearest neighbor environment. These findings shed light on the structural origin of viscous slowdown during undercooling of bulk metallic glass-forming liquids and demonstrate the promise of predicting the properties of bulk metallic glasses from the atomic scale structure.

  20. Single-exponential activation behavior behind the super-Arrhenius relaxations in glass-forming liquids.

    Science.gov (United States)

    Wang, Lianwen; Li, Jiangong; Fecht, Hans-Jörg

    2010-11-17

    The reported relaxation time for several typical glass-forming liquids was analyzed by using a kinetic model for liquids which invoked a new kind of atomic cooperativity--thermodynamic cooperativity. The broadly studied 'cooperative length' was recognized as the kinetic cooperativity. Both cooperativities were conveniently quantified from the measured relaxation data. A single-exponential activation behavior was uncovered behind the super-Arrhenius relaxations for the liquids investigated. Hence the mesostructure of these liquids and the atomic mechanism of the glass transition became clearer.

  1. Source of non-arrhenius average relaxation time in glass-forming liquids

    DEFF Research Database (Denmark)

    Dyre, Jeppe

    1998-01-01

    A major mystery of glass-forming liquids is the non-Arrhenius temperature-dependence of the average relaxation time. This paper briefly reviews the classical phenomenological models for non-Arrhenius behavior – the free volume model and the entropy model – and critiques against these models. We...... are anharmonic, the non-Arrhenius temperature-dependence of the average relaxation time is a consequence of the fact that the instantaneous shear modulus increases upon cooling....

  2. Role of fivefold symmetry in the dynamical slowing down of metallic glass-forming liquids

    Science.gov (United States)

    Lü, Y. J.; Bi, Q. L.; Huang, H. S.; Pang, H. H.

    2017-08-01

    Fivefold symmetry is supposed to have an important role in suppressing crystallization and promoting glass transition due to its structural incompatibility with crystal. In this paper, we study the correlation between the fivefold symmetry and the dynamical slowing down in glass-forming Cu-Zr liquids using the single-particle dynamics method based on molecular dynamics simulations. The dynamics of the glass-forming liquids is microscopically characterized by the jump cage motion for individual atoms; moreover, the cooperative jumps become more pronounced upon approaching the glass transition temperature. We find that the role of fivefold symmetry in the dynamical slowing down does not lie in caging atomic motion but, more importantly, in suppressing cooperative jumps. The atoms with a high degree of fivefold symmetry and involved in jump motions appear more sluggish compared to other jumps. This behavior significantly suppresses the cooperative jumps around them, leading to the slowing down of fast dynamics. The degree of suppression has a close relation to the glass-forming ability and contributes to the "strong" character of liquids.

  3. Correlating the stretched-exponential and super-Arrhenius behaviors in the structural relaxation of glass-forming liquids.

    Science.gov (United States)

    Wang, Lianwen; Li, Jiangong; Fecht, Hans-Jörg

    2011-04-20

    Following the report of a single-exponential activation behavior behind the super-Arrhenius structural relaxation of glass-forming liquids in our preceding paper, we find that the non-exponentiality in the structural relaxation of glass-forming liquids is straightforwardly determined by the relaxation time, and could be calculated from the measured relaxation data. Comparisons between the calculated and measured non-exponentialities for typical glass-forming liquids, from fragile to intermediate, convincingly support the present analysis. Hence the origin of the non-exponentiality and its correlation with liquid fragility become clearer.

  4. Onset of Cooperative Dynamics in an Equilibrium Glass-Forming Metallic Liquid.

    Science.gov (United States)

    Jaiswal, Abhishek; O'Keeffe, Stephanie; Mills, Rebecca; Podlesynak, Andrey; Ehlers, Georg; Dmowski, Wojciech; Lokshin, Konstantin; Stevick, Joseph; Egami, Takeshi; Zhang, Yang

    2016-02-18

    Onset of cooperative dynamics has been observed in many molecular liquids, colloids, and granular materials in the metastable regime on approaching their respective glass or jamming transition points, and is considered to play a significant role in the emergence of the slow dynamics. However, the nature of such dynamical cooperativity remains elusive in multicomponent metallic liquids characterized by complex many-body interactions and high mixing entropy. Herein, we report evidence of onset of cooperative dynamics in an equilibrium glass-forming metallic liquid (LM601: Zr51Cu36Ni4Al9). This is revealed by deviation of the mean effective diffusion coefficient from its high-temperature Arrhenius behavior below TA ≈ 1300 K, i.e., a crossover from uncorrelated dynamics above TA to landscape-influenced correlated dynamics below TA. Furthermore, the onset/crossover temperature TA in such a multicomponent bulk metallic glass-forming liquid is observed at approximately twice of its calorimetric glass transition temperature (Tg ≈ 697 K) and in its stable liquid phase, unlike many molecular liquids.

  5. Evidence for a Disordered Critical Point in a Glass-Forming Liquid.

    Science.gov (United States)

    Berthier, Ludovic; Jack, Robert L

    2015-05-22

    Using computer simulations of an atomistic glass-forming liquid, we investigate the fluctuations of the overlap between a fluid configuration and a quenched reference system. We find that large fluctuations of the overlap develop as temperature decreases, consistent with the existence of the random critical point that is predicted by effective field theories. We discuss the scaling of fluctuations near the presumed critical point, comparing the observed behavior with that of the random-field Ising model. We argue that this critical point directly reveals the existence of an interfacial tension between amorphous metastable states, a quantity relevant both for equilibrium relaxation and for nonequilibrium melting of stable glass configurations.

  6. Glass-Forming Tendency of Molecular Liquids and the Strength of the Intermolecular Attractions

    Science.gov (United States)

    Koperwas, Kajetan; Adrjanowicz, Karolina; Wojnarowska, Zaneta; Jedrzejowska, Agnieszka; Knapik, Justyna; Paluch, Marian

    2016-11-01

    When we cool down a liquid below the melting temperature, it can either crystallize or become supercooled, and then form a disordered solid called glass. Understanding what makes a liquid to crystallize readily in one case and form a stable glass in another is a fundamental problem in science and technology. Here we show that the crystallization/glass-forming tendencies of the molecular liquids might be correlated with the strength of the intermolecular attractions, as determined from the combined experimental and computer simulation studies. We use van der Waals bonded propylene carbonate and its less polar structural analog 3-methyl-cyclopentanone to show that the enhancement of the dipole-dipole forces brings about the better glass-forming ability of the sample when cooling from the melt. Our finding was rationalized by the mismatch between the optimal temperature range for the nucleation and crystal growth, as obtained for a modeled Lennard-Jones system with explicitly enhanced or weakened attractive part of the intermolecular 6-12 potential.

  7. Fluctuations and Shape of Cooperative Rearranging Regions in Glass-Forming Liquids

    Science.gov (United States)

    Biroli, Giulio; Cammarota, Chiara

    2017-01-01

    We develop a theory of amorphous interfaces in glass-forming liquids. We show that the statistical properties of these surfaces, which separate regions characterized by different amorphous arrangements of particles, coincide with the ones of domain walls in the random field Ising model. A major consequence of our results is that supercooled liquids are characterized by two different static lengths: the point-to-set ξPS , which is a measure of the spatial extent of cooperative rearranging regions, and the wandering length ξ⊥, which is related to the fluctuations of their shape. We find that ξ⊥ grows when approaching the glass transition but slower than ξPS. The wandering length increases as sc-1 /2, where sc is the configurational entropy. Our results strengthen the relationship with the random field Ising model found in recent works. They are in agreement with previous numerical studies of amorphous interfaces and provide a theoretical framework for explaining numerical and experimental findings on pinned particle systems and static lengths in glass-forming liquids.

  8. Temperature dependence of the Landau-Placzek ratio in glass forming liquids.

    Science.gov (United States)

    Popova, V A; Surovtsev, N V

    2011-10-07

    Here, we studied Rayleigh-Brillouin light scattering in ten different glass-forming liquids (α-picoline, toluene, o-toluidine, ethanol, salol, glycerol, dibutyl phthalate, o-terphenyl, propylene carbonate, and propylene glycol). For each of these liquids it was found that the Landau-Placzek ratio is in a good agreement with the theory at high temperatures and significantly exceeds the theoretical prediction below a certain temperature. Transition between the two temperature regimes occurs near T(A), where T(A) is crossover point from an Arrhenius-like to a non-Arrhenius behavior for the α-relaxation time dependence on temperature. Increase of the Landau-Placzek ratio relative to the theoretical prediction below T(A) seems to be the universal feature of glass-formers. We suggest that formation of locally favored structures in liquids below T(A) causes observed excess of the Landau-Placzek ratio.

  9. Anomalous diffusion in heterogeneous glass-forming liquids: temperature-dependent behavior.

    Science.gov (United States)

    Langer, J S

    2008-11-01

    In a preceding paper, Langer and Mukhopadhyay [Phys. Rev. E 77, 061505 (2008)] studied the diffusive motion of a tagged molecule in an heterogeneous glass-forming liquid at temperatures just above a glass transition. Among other features of this system, we postulated a relation between heterogeneity and stretched-exponential decay of correlations, and we also confirmed that systems of this kind generally exhibit non-Gaussian diffusion on intermediate length and time scales. Here I extend this analysis to higher temperatures approaching the point where the heterogeneities disappear and thermal activation barriers become small. I start by modifying the continuous-time random-walk theory proposed in Langer and Mukhopadhyay and supplement this analysis with an extension of the excitation-chain theory of glass dynamics. I also use a key result from the shear-transformation-zone theory of viscous deformation of amorphous materials. Elements of each of these theories are then used to interpret experimental data for orthoterphenyl, specifially, the diffusion and viscosity coefficients and neutron-scattering measurements of the self-intermediate scattering function. Reconciling the theory with these data sets provides insights into the crossover between super-Arrhenius and Arrhenius dynamics, length scales of spatial heterogeneities, violation of the Stokes-Einstein relation in glass-forming liquids, and the origin of stretched-exponential decay of correlations.

  10. PREFACE: Dynamic crossover phenomena in water and other glass-forming liquids Dynamic crossover phenomena in water and other glass-forming liquids

    Science.gov (United States)

    Chen, Sow-Hsin; Baglioni, Piero

    2012-02-01

    This special section has been inspired by the workshop on Dynamic Crossover Phenomena in Water and Other Glass-Forming Liquids, held during November 11-13, 2010 at Pensione Bencistà, Fiesole, Italy, a well-preserved 14th century Italian villa tucked high in the hills overlooking Florence. The meeting, an assembly of world renowned scientists, was organized as a special occasion to celebrate the 75th birthday of Professor Sow-Hsin Chen of MIT, a pioneer in several aspects of complex fluids and soft matter physics. The workshop covered a large variety of experimental and theoretical research topics of current interest related to dynamic crossover phenomena in water and, more generally, in other glass-forming liquids. The 30 invited speakers/lecturers and approximately 60 participants were a select group of prominent physicists and chemists from the USA, Europe, Asia and Mexico, who are actively working in the field. Some highlights of this special issue include the following works. Professor Yamaguchi's group and their collaborators present a neutron spin echo study of the coherent intermediate scattering function of heavy water confined in cylindrical pores of MCM-41-C10 silica material in the temperature range 190-298 K. They clearly show that a fragile-to-strong (FTS) dynamic crossover occurs at about 225 K. They attribute the FTS dynamic crossover to the formation of a tetrahedral-like structure, which is preserved in the bulk-like water confined to the central part of the cylindrical pores. Mamontov and Kolesnikov et al study the collective excitations in an aqueous solution of lithium chloride over a temperature range of 205-270 K using neutron and x-ray Rayleigh-Brillouin (coherent) scattering. They detect both the low-frequency and the high-frequency sounds known to exist in pure bulk water above the melting temperature. They also perform neutron (incoherent) and x-ray (coherent) elastic intensity scan measurements. Clear evidence of the crossover in the

  11. A two-dimensional spin liquid in quantum kagome ice.

    Science.gov (United States)

    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.

  12. Short-Time Beta Relaxation in Glass-Forming Liquids Is Cooperative in Nature

    Science.gov (United States)

    Karmakar, Smarajit; Dasgupta, Chandan; Sastry, Srikanth

    2016-02-01

    Temporal relaxation of density fluctuations in supercooled liquids near the glass transition occurs in multiple steps. Using molecular dynamics simulations for three model glass-forming liquids, we show that the short-time β relaxation is cooperative in nature. Using finite-size scaling analysis, we extract a growing length scale associated with beta relaxation from the observed dependence of the beta relaxation time on the system size. We find, in qualitative agreement with the prediction of the inhomogeneous mode coupling theory, that the temperature dependence of this length scale is the same as that of the length scale that describes the spatial heterogeneity of local dynamics in the long-time α -relaxation regime.

  13. Source of non-arrhenius average relaxation time in glass-forming liquids

    DEFF Research Database (Denmark)

    Dyre, Jeppe

    1998-01-01

    then discuss a recently proposed model according to which the activation energy of the average relaxation time is determined by the work done in shoving aside the surrounding liquid to create space needed for a "flow event". In this model, which is based on the fact that intermolecular interactions......A major mystery of glass-forming liquids is the non-Arrhenius temperature-dependence of the average relaxation time. This paper briefly reviews the classical phenomenological models for non-Arrhenius behavior – the free volume model and the entropy model – and critiques against these models. We...... are anharmonic, the non-Arrhenius temperature-dependence of the average relaxation time is a consequence of the fact that the instantaneous shear modulus increases upon cooling....

  14. Super-Potts glass: A disordered model for glass-forming liquids

    Science.gov (United States)

    Angelini, Maria Chiara; Biroli, Giulio

    2014-12-01

    We introduce a disordered system, the super-Potts model, which is a more frustrated version of the Potts glass. Its elementary degrees of freedom are variables that can take M values and are coupled via pairwise interactions. Its exact solution on a completely connected lattice demonstrates that, for large enough M , it belongs to the class of mean-field systems solved by a one-step replica symmetry breaking ansatz. Numerical simulations by the parallel tempering technique show that in three dimensions it displays a phenomenological behavior similar to the one of glass-forming liquids. The super-Potts glass is therefore a disordered model allowing one to perform extensive and detailed studies of the random first-order transition in finite dimensions. We also discuss its behavior for small values of M , which is similar to the one of spin glasses in a field.

  15. Probing heterogeneous dynamics from spatial density correlation in glass-forming liquids

    Science.gov (United States)

    Li, Yan-Wei; Zhu, You-Liang; Sun, Zhao-Yan

    2016-12-01

    We numerically investigate the connection between spatial density correlation and dynamical heterogeneity in glass-forming liquids. We demonstrate that the cluster size defined by the spatial aggregation of densely packed particles (DPPs) can better capture the difference between the dynamics of the Lennard-Jones glass model and the Weeks-Chandler-Andersen truncation model than the commonly used pair correlation functions. More interestingly, we compare the mobility of DPPs and loosely packed particles, and we find that high local density correlates well with slow dynamics in systems with relatively hard repulsive interactions but links to mobile ones in the system with soft repulsive interactions at one relaxation time scale. Our results show clear evidence that the above model dependence behavior stems from the hopping motion of DPPs at the end of the caging stage due to the compressive nature of soft repulsive spheres, which activates the dynamics of DPPs in the α relaxation stage.

  16. Length scales in glass-forming liquids and related systems: a review

    Science.gov (United States)

    Karmakar, Smarajit; Dasgupta, Chandan; Sastry, Srikanth

    2016-01-01

    The central problem in the study of glass-forming liquids and other glassy systems is the understanding of the complex structural relaxation and rapid growth of relaxation times seen on approaching the glass transition. A central conceptual question is whether one can identify one or more growing length scale(s) associated with this behavior. Given the diversity of molecular glass-formers and a vast body of experimental, computational and theoretical work addressing glassy behavior, a number of ideas and observations pertaining to growing length scales have been presented over the past few decades, but there is as yet no consensus view on this question. In this review, we will summarize the salient results and the state of our understanding of length scales associated with dynamical slow down. After a review of slow dynamics and the glass transition, pertinent theories of the glass transition will be summarized and a survey of ideas relating to length scales in glassy systems will be presented. A number of studies have focused on the emergence of preferred packing arrangements and discussed their role in glassy dynamics. More recently, a central object of attention has been the study of spatially correlated, heterogeneous dynamics and the associated length scale, studied in computer simulations and theoretical analysis such as inhomogeneous mode coupling theory. A number of static length scales have been proposed and studied recently, such as the mosaic length scale discussed in the random first-order transition theory and the related point-to-set correlation length. We will discuss these, elaborating on key results, along with a critical appraisal of the state of the art. Finally we will discuss length scales in driven soft matter, granular fluids and amorphous solids, and give a brief description of length scales in aging systems. Possible relations of these length scales with those in glass-forming liquids will be discussed.

  17. Temperature fluctuations and the thermodynamic determination of the cooperativity length in glass forming liquids

    Science.gov (United States)

    Chua, Y. Z.; Zorn, R.; Holderer, O.; Schmelzer, J. W. P.; Schick, C.; Donth, E.

    2017-03-01

    The aim of this paper is to decide which of the two possible thermodynamic expressions for the cooperativity length in glass forming liquids is the correct one. In the derivation of these two expressions, the occurrence of temperature fluctuations in the considered nanoscale subsystems is either included or neglected. Consequently, our analysis gives also an answer to the widely discussed problem whether temperature fluctuations have to be generally accounted for in thermodynamics or not. To this end, the characteristic length-scales at equal times and temperatures for propylene glycol were determined independently from AC calorimetry in both the above specified ways and from quasielastic neutron scattering (QENS), and compared. The result shows that the cooperative length determined from QENS coincides most consistently with the cooperativity length determined from AC calorimetry measurements for the case that the effect of temperature fluctuations is incorporated in the description. This conclusion indicates that—accounting for temperature fluctuations—the characteristic length can be derived by thermodynamic considerations from the specific parameters of the liquid at glass transition and that temperature does fluctuate in small systems.

  18. AC Calorimetry and Thermophysical Properties of Bulk Glass-Forming Metallic Liquids

    Science.gov (United States)

    Johnson, William L.

    2000-01-01

    Thermo-physical properties of two bulk metallic glass forming alloys, Ti34Zr11Cu47Ni8 (VIT 101) and Zr57Nb5Ni12.6Al10CU15.4 (VIT 106), were investigated in the stable and undercooled melt. Our investigation focused on measurements of the specific heat in the stable and undercooled liquid using the method of AC modulation calorimetry. The VIT 106 exhibited a maximum undercooling of 140 K in free radiative cooling. Specific heat measurements could be performed in stable melt down to an undercooling of 80 K. Analysis of the specific heat data indicate an anomaly near the equilibrium liquidus temperature. This anomaly is also observed in y the temperature dependencies of the external relaxation time, the specific volume, and the surface tension; it is tentatively attributed to a phase separation in the liquid state. The VIT 101 specimen exhibited a small undercooling of about 50 K. Specific heat measurements were performed in the stable and undercooled melt. These various results will be combined with ground based work such as the measurement of T-T-T curves in the electrostatic levitator and low temperature viscosity and specific heat measurements for modeling the nucleation kinetics of these alloys.

  19. Nonvibrating granular model for a glass-forming liquid: Equilibration and aging

    Science.gov (United States)

    Tapia-Ignacio, C.; Garcia-Serrano, J.; Donado, F.

    2016-12-01

    We studied experimentally a model of a glass-forming liquid on the basis of a nonvibrating magnetic granular system under an unsteady magnetic field. A sudden quenching was produced that drove the system from a liquid state to a different final state with lower temperature; the latter could be a liquid state or a solid state. We determined the mean-squared displacement in temporal windows to obtain the dynamic evolution of the system, and we determined the radial distribution function to obtain its structural characteristics. The results were analyzed using the intermediate scattering function and the effective potential between two particles. We observed that when quenching drives the system to a final state in the liquid phase far from the glass-transition temperature, equilibration occurs very quickly. When the final state has a temperature far below the glass-transition temperature, the system reaches its equilibrium state very quickly. In contrast, when the final state has an intermediate temperature but is below that corresponding to the glass transition, the system falls into a state that evolves slowly, presenting aging. The system evolves by an aging process toward more ordered states. However, after a waiting time, the dynamic behavior changes. It was observed that some particles get close enough to overpass the repulsive interactions and form small stable aggregates. In the effective potential curves, it was observed that the emergence of a second effective well due to the attraction quickly evolves and results in a deeper well than the initial effective well due to the repulsion. With the increase in time, more particles fall in the attractive well forming inhomogeneities, which produce a frustration in the aging process.

  20. DISCRETE MODELLING OF TWO-DIMENSIONAL LIQUID FOAMS

    Institute of Scientific and Technical Information of China (English)

    Qicheng Sun

    2003-01-01

    Liquid foam is a dense random packing of gas or liquid bubbles in a small amount of immiscible liquid containing surfactants. The liquid within the Plateau borders, although small in volume, causes considerable difficulties to the investigation of the spatial structure and physical properties of foams, and the situation becomes even more complicated as the fluid flows. To solve these problems, a discrete model of two-dimensional liquid foams on the bubble scale is proposed in this work. The bubble surface is represented with finite number of nodes, and the liquid within Plateau borders is discretized into lattice particles. The gas in bubbles is treated as ideal gas at constant temperatures. This model is tested by choosing an arbitrary shape bubble as the initial condition. This then automatically evolves into a circular shape, which indicates that the surface energy minimum routine is obeyed without calling external controlling conditions. Without inserting liquid particle among the bubble channels, periodic ordered and disordered dry foams are both simulated, and the fine foam structures are developed. Wet foams are also simulated by inserting fluid among bubble channels. The calculated coordination number, as a function of liquid fractions, agrees well with the standard values.

  1. Depolarized Photon Correlation Spectroscopic Study of the Glass-Forming Liquid Cumene at Very High Pressures

    Science.gov (United States)

    Lyon, Kevin; Ransom, Tim; Oliver, William

    2014-03-01

    In recent years full-spectrum analysis of light-scattering data has been utilized to explore the liquid-glass transition at variable temperatures and ambient pressure. We have developed methods for doing depolarized photon correlation spectroscopy (PCS) in the diamond anvil cell in order to probe directly the structural relaxation time of glass-forming liquids at very high pressures. Here we present results for liquid cumene at 25 C between 1 bar and pressures approaching the room-temperature glass transition at 2.1 GPa. Data along higher-temperature isotherms will also be presented. Methods for minimizing any undesired heterodyne component in the collected light as well as the use of the longitudinal modes of the Brillouin spectrum to aid in the acquisition and spatial filtering of the scattered light will be discussed. Intensity-intensity correlation data were found to be well represented by the KWW equation with a nearly constant stretching parameter of g = 0.66 for 25 C. Furthermore, the relaxation time as a function of pressure is described will using a modified VTF expression: (P)=0exp{DP/(P0-P)}, with values of 0 = 11.9 ps, D = 18.6, and P0 = 3.4 GPa at T = 25 °C. Thus, (P) has been obtained at 25 °C for Cumene over seven decades from about a microsecond to several seconds and is found to be in excellent agreement with previously determined values for the alpha relaxation at lower pressures obtained from Brillouin data [G. Li, et al., Phys. Rev. Lett. 74, 2280 (1995)]. Partially supported by NSF Grant Number: DMR 0552944.

  2. Anomalous Crystallization as a Signature of the Fragile-to-Strong Transition in Metallic Glass-Forming Liquids

    DEFF Research Database (Denmark)

    Yang, X.N.; Zhou, C.; Sun, Q.J.;

    2014-01-01

    We study the fragile-to-strong (F−S) transition of metallic glass-forming liquids (MGFLs) by measuring the thermal response during annealing and dynamic heating of La55Al25Ni5Cu15 glass ribbons fabricated at different cooling rates. We find that the glasses fabricated in the intermediate regime...... of cooling rates (15−25 m/s) exhibit an anomalous crystallization behavior upon reheating as compared to the glasses formed at other cooling rates. This anomalous crystallization behavior implies the existence of a thermodynamic F−S transition, could be used as an alternative method for detecting the F...

  3. Wetting of bulk metallic glass forming liquids on metals and ceramics

    Science.gov (United States)

    Ding, Shiyan; Kong, Jian; Schroers, Jan

    2011-08-01

    Contact wetting angle of Pd43Ni10Cu27P20, Pt57.5Cu14.7Ni5.3P22.5, Au49Ag5.5Pd2.3Cu26.9Si16.3, and Zr57Nb5Cu15.4Ni12.6Al10 bulk metallic glass forming alloys have been determined on materials that are used in micro and nano fabrication. Employing the sessile drop technique at a temperature above the corresponding melting temperatures, three kinds of wetting behaviors are observed, spanning from θ ≈ 140°, over neutral wetting, θ ≈ 80°, to almost complete wetting, θ < 5°. The origin for complete wetting is the formation of an interface phase promoting wetting. Estimations of the contact wetting angles are presented for temperatures in the supercooled liquid region where micro and nano fabrication is typically carried out. Consequences of the observed wetting behaviors for nanoforming are discussed.

  4. A comparative study of ibuprofen and ketoprofen glass-forming liquids by molecular dynamics simulations

    Science.gov (United States)

    Ottou Abe, M. T.; Correia, N. T.; Ndjaka, J. M. B.; Affouard, F.

    2015-10-01

    In this paper, structural and dynamical properties of ibuprofen and ketoprofen glass-forming liquids have been investigated by means of molecular dynamics simulations. Molecular mobility of both materials is analyzed with respect to the different inter-molecular linear/cyclic hydrogen bonding associations. For ibuprofen, the dominant organization is found to be composed of small hydrogen bonding aggregates corresponding to cyclic dimers through the carboxyl group. For ketoprofen, the propensity of cyclic dimers is significantly reduced by the formation of hydrogen bonds with the ketone oxygen of the molecule altering the hydrogen bond (HB) associating structures that can be formed and thus molecular dynamics. The issue of the presence/absence of the peculiar low frequency Debye-type process in dielectric relaxation spectroscopy (DRS) data in these materials is addressed. Results obtained from simulations confirm that the Debye process originates from the internal cis-trans conversion of the —COOH carboxyl group. It is shown that the specific intermolecular HB structures associated to a given profen control the main dynamical features of this conversion, in particular its separation from the α-process, which make it detectable or not from DRS. For ibuprofen, the possible role of the —CCCO torsion motion, more "local" than the —COOH motion since it is less influenced by the intermolecular HBs, is suggested in the microscopic origin of the quite intense secondary γ-relaxation process detected from DRS.

  5. Effect of local structures on crystallization in deeply undercooled metallic glass-forming liquids

    Science.gov (United States)

    Jiang, S. Q.; Wu, Z. W.; Li, M. Z.

    2016-04-01

    The crystallization mechanism in deeply undercooled ZrCu metallic glass-forming liquids was investigated via molecular dynamics simulations. It was found that the crystallization process is mainly controlled by the growth of crystal nuclei formed by the BCC-like atomic clusters, consistent with experimental speculations. The crystallization rate is found to relate to the number of growing crystal nuclei in the crystallization process. The crystallization rate in systems with more crystal nuclei is significantly hindered by the larger surface fractions of crystal nuclei and their different crystalline orientations. It is further revealed that in the crystallization in deeply undercooled regions, the BCC-like crystal nuclei are formed from the inside of the precursors formed by the FCC-like atomic clusters, and growing at the expense of the precursors. Meanwhile, the precursors are expanding at the expense of the outside atomic clusters. This process is consistent with the so-called Ostwald step rule. The atomic structures of metallic glasses are found to have significant impact on the subsequent crystallization process. In the Zr85Cu15 system, the stronger spatial correlation of Cu atoms could hinder the crystallization processes in deeply undercooled regions.

  6. An impedance-measurement setup optimized for measuring relaxations of glass-forming liquids.

    Science.gov (United States)

    Igarashi, Brian; Christensen, Tage; Larsen, Ebbe H; Olsen, Niels Boye; Pedersen, Ib H; Rasmussen, Torben; Dyre, Jeppe C

    2008-04-01

    An electronics system has been assembled to measure frequency-dependent response functions of glass-forming liquids in the extremely viscous state approaching the glass transition. We determine response functions such as dielectric permittivity and shear and bulk moduli by measuring electrical impedances of liquid-filled transducers, and this technique requires frequency generators capable of producing signals that are reproducible over the span of several days or even several weeks. To this end, we have constructed a frequency generator that produces low-frequency (1 mHz-100 Hz) sinusoidal signals with voltages that are reproducible within 10 ppm. Two factors that partly account for this precision are that signals originate from voltages stored in a look-up table and that only coil-less filters are used in this unit, which significantly reduces fluctuations of output caused by changes of temperatures of circuits. This generator also includes a special triggering facility that makes it possible to measure up to 512 voltages per cycle that are spaced apart at uniform phase intervals. Fourier transformations of such data yield precise determinations of complex amplitudes of voltages and currents applied to a transducer, which ultimately allows us to determine electrical impedances of transducers with a reproducibility error that is only a few parts per hundred thousand. This equipment is used in tandem with a commercial LCR meter and/or impedance analyzer that give(s) impedance measurements at higher frequencies, up to 1 MHz. The experimental setup allows measurements of the transducer impedance over nine decades of frequency within a single run.

  7. Dielectric Response of Glass-Forming Liquids in the Nonlinear Regime

    Science.gov (United States)

    Samanta, Subarna

    Broadband dielectric spectroscopy is a powerful technique for understanding the dynamics in supercooled liquids. It generates information about the timescale of the orientational motions of molecular dipoles within the liquid. However, dynamics of liquids measured in the non-linear response regime has recently become an area of significant interest, because additional information can be obtained compared with linear response measurements. The first part of this thesis describes nonlinear dielectric relaxation experiments performed on various molecular glass forming-liquids, with an emphasis on the response at high frequencies (excess wing). A significant nonlinear dielectric effect (NDE) was found to persist in these modes, and the magnitude of this NDE traces the temperature dependence of the activation energy. A time resolved measurement technique monitoring the dielectric loss revealed that for the steady state NDE to develop it would take a very large number of high amplitude alternating current (ac) field cycles. High frequency modes were found to be 'slaved' to the average structural relaxation time, contrary to the standard picture of heterogeneity. Nonlinear measurements were also performed on the Johari-Goldstein beta-relaxation process. High ac fields were found to modify the amplitudes of these secondary modes. The nonlinear features of this secondary process are reminiscent of those found for the excess wing regime, suggesting that these two contributions to dynamics have common origins. The second part of this thesis describes the nonlinear effects observed from the application of high direct current (dc) bias fields superposed with a small amplitude sinusoidal ac field. For several molecular glass formers, the application of a dc field was found to slow down the system via reduction in configurational entropy (Adam-Gibbs relation). Time resolved measurements indicated that the rise of the non-linear effect is slower than its decay, as observed in the

  8. Comprehensive two-dimensional liquid chromatographic analysis of poloxamers.

    Science.gov (United States)

    Malik, Muhammad Imran; Lee, Sanghoon; Chang, Taihyun

    2016-04-15

    Poloxamers are low molar mass triblock copolymers of poly(ethylene oxide) (PEO) and poly(propylene oxide) (PPO), having number of applications as non-ionic surfactants. Comprehensive one and two-dimensional liquid chromatographic (LC) analysis of these materials is proposed in this study. The separation of oligomers of both types (PEO and PPO) is demonstrated for several commercial poloxamers. This is accomplished at the critical conditions for one of the block while interaction for the other block. Reversed phase LC at CAP of PEO allowed for oligomeric separation of triblock copolymers with regard to PPO block whereas normal phase LC at CAP of PPO renders oligomeric separation with respect to PEO block. The oligomeric separation with regard to PEO and PPO are coupled online (comprehensive 2D-LC) to reveal two-dimensional contour plots by unconventional 2D IC×IC (interaction chromatography) coupling. The study provides chemical composition mapping of both PEO and PPO, equivalent to combined molar mass and chemical composition mapping for several commercial poloxamers.

  9. Anomalous crystallization as a signature of the fragile-to-strong transition in metallic glass-forming liquids.

    Science.gov (United States)

    Yang, Xiunan; Zhou, Chao; Sun, Qijing; Hu, Lina; Mauro, John C; Wang, Chunzhen; Yue, Yuanzheng

    2014-08-28

    We study the fragile-to-strong (F-S) transition of metallic glass-forming liquids (MGFLs) by measuring the thermal response during annealing and dynamic heating of La55Al25Ni5Cu15 glass ribbons fabricated at different cooling rates. We find that the glasses fabricated in the intermediate regime of cooling rates (15-25 m/s) exhibit an anomalous crystallization behavior upon reheating as compared to the glasses formed at other cooling rates. This anomalous crystallization behavior implies the existence of a thermodynamic F-S transition, could be used as an alternative method for detecting the F-S transition in MGFLs, and sheds light on the structure origin of the F-S transition. This work also contributes to obtaining a general thermodynamic picture of the F-S transition in supercooled liquids.

  10. 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.

  11. Two-dimensional materials for novel liquid separation membranes

    Science.gov (United States)

    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

  12. On the critical behaviour of two-dimensional liquid crystals

    Directory of Open Access Journals (Sweden)

    A.l. Fariñas-Sánchez

    2010-01-01

    Full Text Available The Lebwohl-Lasher (LL model is the traditional model used to describe the nematic-isotropic transition of real liquid crystals. In this paper, we develop a numerical study of the temperature behaviour and of finite-size scaling of the two-dimensional (2D LL-model. We discuss two possible scenarios. In the first one, the 2D LL-model presents a phase transition similar to the topological transition appearing in the 2D XY-model. In the second one, the 2D LL-model does not exhibit any critical transition, but its low temperature behaviour is rather characterized by a crossover from a disordered phase to an ordered phase at zero temperature. We realize and discuss various comparisons with the 2D XY-model and the 2D Heisenberg model. Having added finite-size scaling behaviour of the order parameter and conformal mapping of order parameter profile to previous studies, we analyze the critical scaling of the probability distribution function, hyperscaling relations and stiffness order parameter and conclude that the second scenario (no critical transition is the most plausible.

  13. Kissinger method applied to the crystallization of glass-forming liquids: Regimes revealed by ultra-fast-heating calorimetry

    Energy Technology Data Exchange (ETDEWEB)

    Orava, J., E-mail: jo316@cam.ac.uk [Department of Materials Science & Metallurgy, University of Cambridge, 27 Charles Babbage Road, Cambridge CB3 0FS (United Kingdom); WPI-Advanced Institute for Materials Research (WPI-AIMR), Tohoku University, 2-1-1 Katahira, Aoba-ku, Sendai 980-8577 (Japan); Greer, A.L., E-mail: alg13@cam.ac.uk [Department of Materials Science & Metallurgy, University of Cambridge, 27 Charles Babbage Road, Cambridge CB3 0FS (United Kingdom); WPI-Advanced Institute for Materials Research (WPI-AIMR), Tohoku University, 2-1-1 Katahira, Aoba-ku, Sendai 980-8577 (Japan)

    2015-03-10

    Highlights: • Study of ultra-fast DSC applied to the crystallization of glass-forming liquids. • Numerical modeling of DSC traces at heating rates exceeding 10 orders of magnitude. • Identification of three regimes in Kissinger plots. • Elucidation of the effect of liquid fragility on the Kissinger method. • Modeling to study the regime in which crystal growth is thermodynamically limited. - Abstract: Numerical simulation of DSC traces is used to study the validity and limitations of the Kissinger method for determining the temperature dependence of the crystal-growth rate on continuous heating of glasses from the glass transition to the melting temperature. A particular interest is to use the wide range of heating rates accessible with ultra-fast DSC to study systems such as the chalcogenide Ge{sub 2}Sb{sub 2}Te{sub 5} for which fast crystallization is of practical interest in phase-change memory. Kissinger plots are found to show three regimes: (i) at low heating rates the plot is straight, (ii) at medium heating rates the plot is curved as expected from the liquid fragility, and (iii) at the highest heating rates the crystallization rate is thermodynamically limited, and the plot has curvature of the opposite sign. The relative importance of these regimes is identified for different glass-forming systems, considered in terms of the liquid fragility and the reduced glass-transition temperature. The extraction of quantitative information on fundamental crystallization kinetics from Kissinger plots is discussed.

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

    NARCIS (Netherlands)

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

    2012-01-01

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

  15. The meaning of the "universal" WLF parameters of glass-forming polymer liquids.

    Science.gov (United States)

    Dudowicz, Jacek; Douglas, Jack F; Freed, Karl F

    2015-01-07

    Although the Williams-Landell-Ferry (WLF) equation for the segmental relaxation time τ(T) of glass-forming materials is one of the most commonly encountered relations in polymer physics, its molecular basis is not well understood. The WLF equation is often claimed to be equivalent to the Vogel-Fulcher-Tammann (VFT) equation, even though the WLF expression for τ(T) contains no explicit dependence on the fragility parameter D of the VFT equation, while the VFT equation lacks any explicit reference to the glass transition temperature Tg, the traditionally chosen reference temperature in the WLF equation. The observed approximate universality of the WLF parameters C1((g)) and C2((g)) implies that τ(T) depends only on T-Tg, a conclusion that seems difficult to reconcile with the VFT equation where the fragility parameter D largely governs the magnitude of τ(T). The current paper addresses these apparent inconsistencies by first evaluating the macroscopic WLF parameters C1((g)) and C2((g)) from the generalized entropy theory of glass-formation and then by determining the dependence of C1((g)) and C2((g)) on the microscopic molecular parameters (including the strength of the cohesive molecular interactions and the degree of chain stiffness) and on the molar mass of the polymer. Attention in these calculations is restricted to the temperature range (Tg < T < Tg + 100 K), where both the WLF and VFT equations apply.

  16. Isoconfigurational elastic constants and liquid fragility of a bulk metallic glass forming alloy.

    Science.gov (United States)

    Lind, Mary Laura; Duan, Gang; Johnson, William L

    2006-07-07

    Samples of Zr(46.25)Ti(8.25)Cu(7.5)Ni(10)Be(27.5) were isothermally annealed and quenched near the glass transition temperature and studied by the pulse-echo overlap technique. The shear modulus G of the samples shows a strong reversible dependence on annealing temperatures and, thus, on the specific configurational potential energy of the equilibrium liquid. The low-T dependence of G of the configurationally frozen glasses shows linear temperature dependence as expected by Debye-Grüneisen theory. The T dependence of G in the liquid state is directly related to the viscosity and fragility of the liquid.

  17. Low-energy excitations in a low-viscous glass-forming liquid

    Indian Academy of Sciences (India)

    Angelos G Kalampounias

    2013-08-01

    Polarized and depolarized low frequency Raman spectra of a liquid mixture, viz. 0.15LiCl–0.85H2O, has been analysed in detail in order to elucidate the temperature and polarization characteristics of quasi-elastic line and Boson peak. The employed fitting procedure shows more convincingly that the Boson peak contribution to the overall low frequency Raman pattern is present even in this low-viscous liquid. The degree of disorder in this liquid is not so high and certain micro-ordering effects may take place due to hydrogen bonding. The results are discussed in the framework of the current phenomenological status of the field.

  18. Dynamics of thermal vibrational motions and stringlike jump motions in three-dimensional glass-forming liquids

    Science.gov (United States)

    Kawasaki, Takeshi; Onuki, Akira

    2013-03-01

    Using molecular dynamics simulation on a glass-forming liquid in three dimensions, we investigate the thermal vibrational motions, the configuration changes caused by stringlike jump motions, and their close correlations. The heterogeneous vibrational motions are visualized in terms of a vibration length Si(t) defined for each particle i. The structure factor for the inhomogeneity of Si(t)2 is also calculated, which exhibits considerable long wavelength enhancement. By examining the birth times of strings, they are shown to appear collectively and intermittently. We show that particles with larger Si(t) tend to trigger jump motions more frequently at later times than those with smaller Si(t). We also show that the particles with fewer bonds tend to have larger Si(t) and participate more frequently in the stringlike motions.

  19. Elastic models for the non-Arrhenius viscosity of glass-forming liquids

    DEFF Research Database (Denmark)

    Dyre, Jeppe; Christensen, Tage Emil; Olsen, Niels Boye

    2006-01-01

    on to review several related explanations for the non-Arrhenius viscosity. Most of these are also ‘elastic models’, i.e., they express the viscosity activation energy in terms of short-time elastic properties of the liquid. Finally, two alternative arguments for elastic models are given, a general solid......This paper first reviews the shoving model for the non-Arrhenius viscosity of viscous liquids. According to this model the main contribution to the activation energy of a flow event is the energy needed for molecules to shove aside the surrounding, an energy which is proportional...

  20. Potential energy landscape signatures of slow dynamics in glass forming liquids

    DEFF Research Database (Denmark)

    Sastry, S.; Debenedetti, P. G.; Stillinger, F. H.;

    1999-01-01

    We study the properties of local potential energy minima (‘inherent structures’) sampled by liquids at low temperatures as an approach to elucidating the mechanisms of the observed dynamical slowing down observed as the glass transition temperature is approached. This onset of slow dynamics is ac...

  1. Elastic models for the non-Arrhenius relaxation time of glass-forming liquids

    DEFF Research Database (Denmark)

    Dyre, Jeppe

    We first review the phenomenology of viscous liquids and the standard models used for explaining the non-Arrhenius average relaxation time. Then the focus is turned to the so-called elastic models, arguing that these models are all equivalent in the Einstein approximation (where the short...

  2. Elastic models for the Non-Arrhenius Relaxation Time of Glass-Forming Liquids

    DEFF Research Database (Denmark)

    Dyre, J. C.

    2006-01-01

    We first review the phenomenology of viscous liquids and the standard models used for explaining the non-Arrhenius average relaxation time. Then the focus is turned to the so-called elastic models, arguing that these models are all equivalent in the Einstein approximation (where the short...

  3. Conventional methods fail to measure cp(omega) of glass-forming liquids

    DEFF Research Database (Denmark)

    Christensen, Tage Emil; Olsen, Niels Boye; Dyre, Jeppe

    2007-01-01

    thermal-wave method does not measure the isobaric frequency-dependent specific heat cp(omega). This method rather measures a "longitudinal" frequency-dependent specific heat, a quantity defined and detailed here that is in between cp(omega) and cV(omega). This result means that no reliable wide......-frequency measurements of cp(omega) on liquids approaching the calorimetric glass transition exist. We briefly discuss consequences for experiment....

  4. Elastic models for the non-Arrhenius relaxation time of glass-forming liquids

    DEFF Research Database (Denmark)

    Dyre, Jeppe

    We first review the phenomenology of viscous liquids and the standard models used for explaining the non-Arrhenius average relaxation time. Then the focus is turned to the so-called elastic models, arguing that these models are all equivalent in the Einstein approximation (where the short......-time elastic properties are all determined by just one effective, temperature-dependent force constant). We finally discuss the connection between the elastic models and two well-established research fields of condensed-matter physics: point defects in crystals and solid-state diffusion....

  5. Elastic models for the Non-Arrhenius Relaxation Time of Glass-Forming Liquids

    DEFF Research Database (Denmark)

    Dyre, J. C.

    2006-01-01

    We first review the phenomenology of viscous liquids and the standard models used for explaining the non-Arrhenius average relaxation time. Then the focus is turned to the so-called elastic models, arguing that these models are all equivalent in the Einstein approximation (where the short......-time elastic properties are all determined by just one effective, temperature-dependent force constant). We finally discuss the connection between the elastic models and two well-established research fields of condensed-matter physics: point defects in crystals and solid-state diffusion....

  6. An energy landscape model for glass-forming liquids in three dimensions

    DEFF Research Database (Denmark)

    Pedersen, Ulf Rørbæk; Hecksher, Tina; Dyre, Jeppe;

    2006-01-01

    We present a three-dimensional lattice-gas model with trivial thermodynamics, but non-trivial dynamics. The model is characterized by each particle having its own random energy landscape. The equilibrium dynamics of the model were investigated by continuous time Monte Carlo simulations at two...... different densities at several temperatures. At high densities and low temperatures the model captures the important characteristics of viscous liquid dynamics. We thus observe non-exponential relaxation in the self part of the density auto-correlation function, and fragility plots of the self......-diffusion constant and relaxation times show non-Arrhenius behavior....

  7. Elastic Models for the Non-Arrhenius Relaxation Time of Glass-Forming Liquids

    Science.gov (United States)

    Dyre, Jeppe C.

    2006-05-01

    We first review the phenomenology of viscous liquids and the standard models used for explaining the non-Arrhenius average relaxation time. Then the focus is turned to the so-called elastic models, arguing that these models are all equivalent in the Einstein approximation (where the short-time elastic properties are all determined by just one effective, temperature-dependent force constant). We finally discuss the connection between the elastic models and two well-established research fields of condensed-matter physics: point defects in crystals and solid-state diffusion.

  8. On Regularity Criteria for the Two-Dimensional Generalized Liquid Crystal Model

    Directory of Open Access Journals (Sweden)

    Yanan Wang

    2014-01-01

    Full Text Available We establish the regularity criteria for the two-dimensional generalized liquid crystal model. It turns out that the global existence results satisfy our regularity criteria naturally.

  9. Picosecond Dynamic Heterogeneity, Hopping, and Johari-Goldstein Relaxation in Glass-Forming Liquids

    Science.gov (United States)

    Cicerone, Marcus T.; Zhong, Qin; Tyagi, Madhusudan

    2014-09-01

    We show that incoherent quasielastic neutron scattering from molecular liquids reveals a two-state dynamic heterogeneity on a 1 ps time scale, where molecules are either highly confined or are free to undergo relatively large excursions. Data ranging from deep in the glassy state to well above the melting point allows us to observe temperature-dependent population levels and exchange between these two states. A simple physical picture emerges from this data, combined with published work, that provides a mechanism for hopping and for the Johari-Goldstein (βJG) relaxation, and allows us to accurately calculate the diffusion coefficient, DT, and characteristic times for α, and βJG relaxations from ps time scale neutron data.

  10. Exfoliation of two-dimensional zeolites in liquid polybutadienes

    KAUST Repository

    Sabnis, Sanket

    2017-06-16

    Layered zeolite precursors were successfully exfoliated by brief shearing or sonication with the assistance of commercially available telechelic liquid polybutadienes at room temperature. The exfoliated zeolite nanosheets can form a stable suspension in an organic solvent, providing exciting potential for the fabrication of zeolite membranes, composite materials and hierarchical zeolites.

  11. Quasielastic neutron scattering studies on glass-forming ionic liquids with imidazolium cations

    Energy Technology Data Exchange (ETDEWEB)

    Kofu, Maiko; Inamura, Yasuhiro; Miyazaki, Kyoko; Yamamuro, Osamu, E-mail: yamamuro@issp.u-tokyo.ac.jp [Institute for Solid State Physics, University of Tokyo, 5-1-5 Kashiwanoha, Kashiwa, Chiba 277-8581 (Japan); Tyagi, Madhusudan [NIST Center for Neutron Research, National Institute of Standards and Technology, 100 Bureau Drive, Gaithersburg, Maryland 20899-6102 (United States); Department of Materials Science, University of Maryland, College Park, Maryland 20742 (United States)

    2015-12-21

    Relaxation processes for imidazolium-based ionic liquids (ILs) were investigated by means of an incoherent quasielastic neutron scattering technique. In order to clarify the cation and anion effects on the relaxation processes, ten samples were measured. For all of the samples, we found three relaxations at around 1 ps, 10 ps, and 100 ps-10 ns, each corresponding to the alkyl reorientation, the relaxation related to the imidazolium ring, and the ionic diffusion. The activation energy (E{sub a}) for the alkyl relaxation is insensitive to both anion and alkyl chain lengths. On the other hand, for the imidazolium relaxation and the ionic diffusion processes, E{sub a} increases as the anion size decreases but is almost independent of the alkyl chain length. This indicates that the ionic diffusion and imidazolium relaxation are governed by the Coulombic interaction between the core parts of the cations (imidazolium ring) and the anions. This is consistent with the fact that the imidazolium-based ILs have nanometer scale structures consisting of ionic and neutral (alkyl chain) domains. It is also found that there is a clear correlation between the ionic diffusion and viscosity, indicating that the ionic diffusion is mainly associated with the glass transition which is one of the characteristics of imidazolium-based ILs.

  12. Quasielastic neutron scattering studies on glass-forming ionic liquids with imidazolium cations.

    Science.gov (United States)

    Kofu, Maiko; Tyagi, Madhusudan; Inamura, Yasuhiro; Miyazaki, Kyoko; Yamamuro, Osamu

    2015-12-21

    Relaxation processes for imidazolium-based ionic liquids (ILs) were investigated by means of an incoherent quasielastic neutron scattering technique. In order to clarify the cation and anion effects on the relaxation processes, ten samples were measured. For all of the samples, we found three relaxations at around 1 ps, 10 ps, and 100 ps-10 ns, each corresponding to the alkyl reorientation, the relaxation related to the imidazolium ring, and the ionic diffusion. The activation energy (Ea) for the alkyl relaxation is insensitive to both anion and alkyl chain lengths. On the other hand, for the imidazolium relaxation and the ionic diffusion processes, Ea increases as the anion size decreases but is almost independent of the alkyl chain length. This indicates that the ionic diffusion and imidazolium relaxation are governed by the Coulombic interaction between the core parts of the cations (imidazolium ring) and the anions. This is consistent with the fact that the imidazolium-based ILs have nanometer scale structures consisting of ionic and neutral (alkyl chain) domains. It is also found that there is a clear correlation between the ionic diffusion and viscosity, indicating that the ionic diffusion is mainly associated with the glass transition which is one of the characteristics of imidazolium-based ILs.

  13. Rotational and Translational Diffusion of Glass-Forming Ionic Liquids Confined in Nanoporous Silica

    Science.gov (United States)

    Iacob, Ciprian; Sangoro, Joshua; Runt, James; Kremer, Friedrich

    2014-03-01

    Charge transport and glassy dynamics of several classes of ionic liquids confined in uni-directional nanoporous silica membranes are investigated in a wide frequency and temperature range by a combination of Broadband Dielectric Spectroscopy (BDS), Pulsed Field Gradient Nuclear Magnetic Resonance (PFG NMR) and Fourier Transform Infrared spectroscopy (FTIR). Two opposite effects are observed: (i) surface effects - resulting from strong interactions between the host system (nanoporous silica membrane) and the guest molecules (ILs) lead to slower dynamics - which are significantly reduced upon pore surface modification through silanization of the pores, and (ii) confinement effects - arising from spatial restriction of the molecules in nanometric length-scales - leading to enhancement of molecular dynamics. A model assuming a reduced mobility of the adsorbed layer at the pore wall/IL interface is shown to provide a quantitative explanation for the remarkable decrease of effective transport quantities (such as diffusion coefficient, dc conductivity and consequently, the dielectric loss) of the ILs in non-silanized porous silica membranes.

  14. Two-dimensional liquid chromatography and its application in traditional Chinese medicine analysis and metabonomic investigation.

    Science.gov (United States)

    Li, Zheng; Chen, Kai; Guo, Meng-zhe; Tang, Dao-quan

    2016-01-01

    Two-dimensional liquid chromatography has become an attractive analytical tool for the separation of complex samples due to its enhanced selectivity, peak capacity, and resolution compared with one-dimensional liquid chromatography. Recently, more attention has been drawn on the application of this separation technique in studies concerning traditional Chinese medicines, metabonomes, proteomes, and other complex mixtures. In this review, we aim to examine the application of two-dimensional liquid chromatography in traditional Chinese medicine analysis and metabonomic investigation. The classification and evaluation indexes were first introduced. Then, various switching methods were summarized when used in an on-line two-dimensional liquid chromatography system. Finally, the applications of this separation technique in traditional Chinese medicine analysis and metabonomic investigation were discussed on the basis of specific studies.

  15. Characterization of hydroxypropylmethylcellulose (HPMC) using comprehensive two-dimensional liquid chromatography

    NARCIS (Netherlands)

    Greiderer, A.; Steeneken, L.; Aalbers, T.; Vivó-Truyols, G.; Schoenmakers, P.

    2011-01-01

    Various hydroxyl-propylmethylcellulose (HPMC) polymers were characterized according to size and compositional distributions (percentage of methoxyl and hydroxyl-propoxyl substitution) by means of comprehensive two-dimensional liquid chromatography (LC × LC) using reversed-phase (RP) liquid chromatog

  16. One- and two-dimensional fluids properties of smectic, lamellar and columnar liquid crystals

    CERN Document Server

    Jakli, Antal

    2006-01-01

    Smectic and lamellar liquid crystals are three-dimensional layered structures in which each layer behaves as a two-dimensional fluid. Because of their reduced dimensionality they have unique physical properties and challenging theoretical descriptions, and are the subject of much current research. One- and Two-Dimensional Fluids: Properties of Smectic, Lamellar and Columnar Liquid Crystals offers a comprehensive review of these phases and their applications. The book details the basic structures and properties of one- and two-dimensional fluids and the nature of phase transitions. The later chapters consider the optical, magnetic, and electrical properties of special structures, including uniformly and non-uniformly aligned anisotropic films, lyotropic lamellar systems, helical and chiral structures, and organic anisotropic materials. Topics also include typical and defective features, magnetic susceptibility, and electrical conductivity. The book concludes with a review of current and potential applications ...

  17. Viscosity properties and strong liquid behavior of Pr60Ni25Al15 bulk metallic glass-forming liquids

    Institute of Scientific and Technical Information of China (English)

    WANG Dan; ZHANG Di; WANG ShuYing; NING QianYan; ZHENG CaiPing; YAN Yuan; LIU Jia; SUN MinHua

    2008-01-01

    Pr60Ni25Al15 bulk metallic glass in a cuboid form with dimensions of 2 mm×2 mm×55 mm by copper mold casting method was cast.The dynamic viscosity near the glass transition region for Pr60Ni25Al15 was measured by three-point beam bending methods.The fragility parameter m and activation energy for viscous flow of the liquid sample were calculated to be: m = 31.66, E= 10689.17 K, respectively.It was shown that the supercooled liquid of Pr60Ni25Al15 alloy behaved much closer to strong glasses.The variation of active energy with temperature in supercooled liquid was analyzed.It was found that Kivelson's super-Arrhenius equation is not suitable for description of the activation energy in a supercooled region of Bulk metallic glass, and there is a direct proportion between activation energy crystal-lization and activation energy of viscous flow.

  18. Viscosity properties and strong liquid behavior of Pr60Ni25Al15 bulk metallic glass-forming liquids

    Institute of Scientific and Technical Information of China (English)

    2008-01-01

    Pr60Ni25Al15 bulk metallic glass in a cuboid form with dimensions of 2 mm×2 mm×55 mm by copper mold casting method was cast. The dynamic viscosity near the glass transition region for Pr60Ni25Al15 was measured by three-point beam bending methods. The fragility parameter m and activation energy for viscous flow of the liquid sample were calculated to be:m=31.66,E=10689.17 K,respectively. It was shown that the supercooled liquid of Pr60Ni25Al15 alloy behaved much closer to strong glasses. The variation of active energy with temperature in supercooled liquid was analyzed. It was found that Kivelson’s super-Arrhenius equation is not suitable for description of the activation energy in a supercooled region of Bulk metallic glass,and there is a direct proportion between activation energy crystal-lization and activation energy of viscous flow.

  19. Liquid -to-glass transition in bulk glass-forming Cu55-xZr45Agx alloys using molecular dynamic simulations

    Directory of Open Access Journals (Sweden)

    Celtek M.

    2011-05-01

    Full Text Available We report results from molecular dynamics (MD studies concerning the microscopic structure of the ternary, bulk metallic glass-forming Cu55-x Zr45Agx (x=0,10,20 alloys using tight-binding potentials. Understanding of the nature of Glass Forming Ability (GFA of studied alloys, GFA parameters, glass transition temperature (T-g, melting temperature (T-m, reduced glass transition temperature (T-g/T-m, the supercooled liquid region and other parameters were simulated and compared with experiments. The computed pair distribution functions reproduce well experimental x-ray data of Inoue and co-workers. Structure analysis of the Cu-Zr-Ag alloy based on MD simulation will be also presented

  20. Supramolecular Nanocomposites: Dispersion of Zero-, One- and Two-dimensional Nanoparticles in Discotic Liquid Crystals

    Science.gov (United States)

    Kumar, Sandeep

    2016-04-01

    Discotic liquid crystals are emerging as novel nanomaterials useful in many device applications. Recently their hybridization with various zero-, one- and two- dimensional metallic and semiconducting nanoparticles has been realized to alter and improve their thermal, supramolecular and electronic properties. In this article, we have overviewed the work carried out in our laboratories on the dispersion of various metallic, semiconducting and carbon nanoparticles in discotic liquid crystals. First a brief introduction of self-organizing supramolecular liquid crystalline materials is presented with an emphasis on discotic liquid crystals. This is followed by the description of various discotic liquid crystal-nanoparticle hybrid systems. A number of discotic liquid crystals, functionalized nanoparticles and their nanocomposites were prepared and studied by spectroscopic and analytical tools. The dispersion of such functionalized nanomaterials in columnar matrix enhances the physical properties such as, conductivity, photoconductivity, absorbance, etc., significantly without disturbing the supramolecular properties.

  1. 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....

  2. Wafer-scale two-dimensional semiconductors from printed oxide skin of liquid metals

    Science.gov (United States)

    Carey, Benjamin J.; Ou, Jian Zhen; Clark, Rhiannon M.; Berean, Kyle J.; Zavabeti, Ali; Chesman, Anthony S. R.; Russo, Salvy P.; Lau, Desmond W. M.; Xu, Zai-Quan; Bao, Qiaoliang; Kevehei, Omid; Gibson, Brant C.; Dickey, Michael D.; Kaner, Richard B.; Daeneke, Torben; Kalantar-Zadeh, Kourosh

    2017-02-01

    A variety of deposition methods for two-dimensional crystals have been demonstrated; however, their wafer-scale deposition remains a challenge. Here we introduce a technique for depositing and patterning of wafer-scale two-dimensional metal chalcogenide compounds by transforming the native interfacial metal oxide layer of low melting point metal precursors (group III and IV) in liquid form. In an oxygen-containing atmosphere, these metals establish an atomically thin oxide layer in a self-limiting reaction. The layer increases the wettability of the liquid metal placed on oxygen-terminated substrates, leaving the thin oxide layer behind. In the case of liquid gallium, the oxide skin attaches exclusively to a substrate and is then sulfurized via a relatively low temperature process. By controlling the surface chemistry of the substrate, we produce large area two-dimensional semiconducting GaS of unit cell thickness (~1.5 nm). The presented deposition and patterning method offers great commercial potential for wafer-scale processes.

  3. Clustering behavior of solid particles in two-dimensional liquid-solid fluidized-beds

    Institute of Scientific and Technical Information of China (English)

    2007-01-01

    In this paper, the clustering behavior of solid particles in a two-dimensional (2D) liquid-solid fluidized-bed was studied by using the charge coupled devices (CCD) imaging measuring and processing technique and was characterized by fractal analysis. CCD images show that the distribution of solid particles in the 2D liquid-solid fluidised-bed is not uniform and self-organization behavior of solid particles was observed under the present experimental conditions. The solid particles move up in the 2D fluidized-bed in groups or clusters whose configurations are often in the form of horizontal strands. The box fractal dimension of the cluster images in the 2D liquid-solid fluidized-bed increases with the rising of solid holdup and reduces with the increment of solid particle diameter and superficial liquid velocity. At given solid holdup and solid particle size,the lighter particles show smaller fractal dimensions.

  4. Changing the Tendency of Glass-Forming Liquid To Crystallize by Moving Along Different Isolines in the T-p Phase Diagram

    DEFF Research Database (Denmark)

    Adrjanowicz, Karolina; Koperwas, Kajetan; Tarnacka, Magdalena

    2016-01-01

    -forming liquid ketoprofen and its non-hydrogen bonded analogue, we have investigated changes in the crystallization rate along different isolines located in the two-dimensional T–p phase space. This has included isobaric (p = const), isothermal (T = const), and isochronal (τα = const) data. Our results reveal...

  5. Supramolecular [60]fullerene liquid crystals formed by self-organized two-dimensional crystals.

    Science.gov (United States)

    Zhang, Xiaoyan; Hsu, Chih-Hao; Ren, Xiangkui; Gu, Yan; Song, Bo; Sun, Hao-Jan; Yang, Shuang; Chen, Erqiang; Tu, Yingfeng; Li, Xiaohong; Yang, Xiaoming; Li, Yaowen; Zhu, Xiulin

    2015-01-02

    Fullerene-based liquid crystalline materials have both the excellent optical and electrical properties of fullerene and the self-organization and external-field-responsive properties of liquid crystals (LCs). Herein, we demonstrate a new family of thermotropic [60]fullerene supramolecular LCs with hierarchical structures. The [60]fullerene dyads undergo self-organization driven by π-π interactions to form triple-layer two-dimensional (2D) fullerene crystals sandwiched between layers of alkyl chains. The lamellar packing of 2D crystals gives rise to the formation of supramolecular LCs. This design strategy should be applicable to other molecules and lead to an enlarged family of 2D crystals and supramolecular liquid crystals.

  6. Detecting trace components in liquid chromatography/mass spectrometry data sets with two-dimensional wavelets

    Science.gov (United States)

    Compton, Duane C.; Snapp, Robert R.

    2007-09-01

    TWiGS (two-dimensional wavelet transform with generalized cross validation and soft thresholding) is a novel algorithm for denoising liquid chromatography-mass spectrometry (LC-MS) data for use in "shot-gun" proteomics. Proteomics, the study of all proteins in an organism, is an emerging field that has already proven successful for drug and disease discovery in humans. There are a number of constraints that limit the effectiveness of liquid chromatography-mass spectrometry (LC-MS) for shot-gun proteomics, where the chemical signals are typically weak, and data sets are computationally large. Most algorithms suffer greatly from a researcher driven bias, making the results irreproducible and unusable by other laboratories. We thus introduce a new algorithm, TWiGS, that removes electrical (additive white) and chemical noise from LC-MS data sets. TWiGS is developed to be a true two-dimensional algorithm, which operates in the time-frequency domain, and minimizes the amount of researcher bias. It is based on the traditional discrete wavelet transform (DWT), which allows for fast and reproducible analysis. The separable two-dimensional DWT decomposition is paired with generalized cross validation and soft thresholding. The Haar, Coiflet-6, Daubechie-4 and the number of decomposition levels are determined based on observed experimental results. Using a synthetic LC-MS data model, TWiGS accurately retains key characteristics of the peaks in both the time and m/z domain, and can detect peaks from noise of the same intensity. TWiGS is applied to angiotensin I and II samples run on a LC-ESI-TOF-MS (liquid-chromatography-electrospray-ionization) to demonstrate its utility for the detection of low-lying peaks obscured by noise.

  7. Substrate influence on two-dimensional solids and liquids: A Monte Carlo simulation study

    DEFF Research Database (Denmark)

    Vives, E.; Lindgård, Per-Anker

    1991-01-01

    A general 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 of a commensurate...... square-root 3 X square-root 3 structure on a triangular lattice with 1/3 coverage. The evolution of the energy, order parameters, and structure factor has been followed in a wide range of temperatures and substrate-potential strengths. The phase diagram exhibits a broad transition region between...

  8. The two-dimensional alternative binary L-J system: liquid-gas phase diagram

    Institute of Scientific and Technical Information of China (English)

    张陟; 陈立溁

    2003-01-01

    A two-dimensional (2D) binary system without considering the Lennard-Jones (L-J) potential has been studied by using the Collins model. In this paper, we introduce the L-J potential into the 2D binary system and consider the existence of the holes that are called the "molecular fraction". The liquid-gas phase diagram of the 2D alternative binary L-J system is obtained. The results are quite analogous to the behaviour of 3D substances.

  9. Coherent Two-Dimensional Infrared Spectroscopy of Vibrational Excitons in Hydrogen-Bonded Liquids

    Science.gov (United States)

    Paarmann, Alexander

    The structure and structural dynamics of hydrogen bonded liquids were studied experimentally and theoretically with coherent two-dimensional infrared (2DIR) spectroscopy. The resonant intermolecular interactions within the fully resonant hydrogen bond networks give access to spatial correlations in the dynamics of the liquid structures. New experimental and theoretical tools were developed that significantly reduced the technical challenges of these studies. A nanofluidic flow device was designed and manufactured providing sub-micron thin, actively stabilized liquid sample layers between similarly thin windows. A simulation protocol for nonlinear vibrational response calculations of disordered fluctuating vibrational excitons was developed that allowed for the first treatment of resonant intermolecular interactions in the 2DIR response of liquid water. The 2DIR spectrum of the O-H stretching vibration of pure liquid water was studied experimentally at different temperatures. At ambient conditions the loss of frequency correlations is extremely fast, and is attributed to very efficient modulations of the two-dimensional O-H stretching vibrational potential through librational motions in the hydrogen bond network. At temperatures near freezing, the librational motions are significantly reduced leading to a pronounced slowing down of spectral diffusion dynamics. Comparison with energy transfer time scales revealed the first direct proof of delocalization of the vibrational excitations. This work establishes a fundamentally new view of vibrations in liquid water by providing a spatial length scale of correlated hydrogen-bond motions. The linear and 2DIR response of the amide I mode in neat liquid formamide was found to be dominated by excitonic effects due to largely delocalized vibrational excitations. The spectral response and dynamics are very sensitive to the excitonic mode structure and infrared activity distributions, leading to a pronounced asymmetry of linear

  10. Simulation of two-dimensional adjustable liquid gradient refractive index (L-GRIN) microlens

    Science.gov (United States)

    Le, Zichun; Wu, Xiang; Sun, Yunli; Du, Ying

    2017-07-01

    In this paper, a two-dimensional liquid gradient refractive index (L-GRIN) microlens is designed which can be used in adjusting focusing direction and focal spot of light beam. Finite element method (FEM) is used to simulate the convection diffusion process happening in core inlet flow and cladding inlet flow. And the ray tracing method shows us the light beam focusing effect including the extrapolation of focal length and output beam spot size. When the flow rates of the core and cladding fluids are held the same between the internal and external, left and right, and upper and lower inlets, the focal length varied from 313 μm to 53.3 μm while the flow rate of liquids ranges from 500 pL/s to 10,000 pL/s. While the core flow rate is bigger than the cladding inlet flow rate, the light beam will focus on a light spot with a tunable size. By adjusting the ratio of cladding inlet flow rate including Qright/Qleft and Qup/Qdown, we get the adjustable two-dimensional focus direction rather than the one-dimensional focusing. In summary, by adjusting the flow rate of core inlet and cladding inlet, the focal length, output beam spot and focusing direction of the input light beam can be manipulated. We suppose this kind of flexible microlens can be used in integrated optics and lab-on-a-chip system.

  11. Characterization of sodium carboxymethyl cellulose by comprehensive two-dimensional liquid chromatography.

    Science.gov (United States)

    Shakun, Maria; Heinze, Thomas; Radke, Wolfgang

    2015-10-05

    Two series of sodium carboxymethyl celluloses (NaCMC) with average degrees of substitution (DS) ranging from 0.45 to 1.55 were synthesized from low molecular mass Avicel cellulose (Avicel samples) and from high molecular mass cotton linters (BWL samples). The samples were characterized by online two-dimensional liquid chromatography using gradient liquid adsorption chromatography in the first and size exclusion chromatography (SEC) in the second dimension. This method allows the simultaneous determination of the chemical composition (DS) and the molar mass distribution within the individual samples. Moreover information was obtained on the dependence of the elution volume in gradient chromatography on molar mass. As expected, evidence for a stronger influence of molar mass on gradient elution volume was found for the low molecular mass NaCMC as compared to the high molecular mass BWL samples. Finally the applicability of the method for the simultaneous separation of blends heterogeneous with respect to chemical composition (DS) and molar mass was demonstrated. Such blends cannot be efficiently separated by either SEC or gradient chromatography alone, nor by simply combining the results of both methods. Only the complete two-dimensional chromatogram can reveal the complexity of such blends, since it reveals the correlations between molar mass and chemical composition.

  12. Molecular shear heating and vortex dynamics in thermostatted two-dimensional Yukawa liquids

    CERN Document Server

    Gupta, Akanksha; Joy, Ashwin

    2016-01-01

    It is well known that two-dimensional macroscale shear flows are susceptible to instabilities leading to macroscale vortical structures. The linear and nonlinear fate of such a macroscale flow in a strongly coupled medium is a fundamental problem. A popular example of a strongly coupled medium is a dusty plasma, often modelled as a Yukawa liquid. Recently, laboratory experiments and MD studies of shear flows in strongly coupled Yukawa liquids, indicated occurrence of strong molecular shear heating, which is found to reduce the coupling strength exponentially leading to destruction of macroscale vorticity. To understand the vortex dynamics of strongly coupled molecular fluids undergoing macroscale shear flows and molecular shear heating, MD simulation has been performed, which allows the macroscopic vortex dynamics to evolve while at the same time, "removes" the microscopically generated heat without using the velocity degrees of freedom. We demonstrate that by using a configurational thermostat in a novel way...

  13. Two-dimensional liquid separations-mass mapping of proteins from human cancer cell lysates.

    Science.gov (United States)

    Lubman, David M; Kachman, Maureen T; Wang, Haixing; Gong, Siyuan; Yan, Fang; Hamler, Rick L; O'Neil, Kimberly A; Zhu, Kan; Buchanan, Nathan S; Barder, Timothy J

    2002-12-25

    A review of two-dimensional (2D) liquid separation methods used in our laboratory to map the protein content of human cancer cells is presented herein. The methods discussed include various means of fractionating proteins according to isoelectric point (pI) in the first dimension. The proteins in each pI fraction are subsequently separated using nonporous (NPS) reversed-phase high-performance liquid chromatography (RP-HPLC). The liquid eluent of the RP-HPLC separation is directed on-line into an electrospray ionization time-of-flight (ESI-TOF) mass spectrometer where an accurate value of the protein intact M(r) can be obtained. The result is a 2D map of pI versus M(r) analogous to 2D gel electrophoresis; however the highly accurate and reproducible M(r) serves as the basis for interlysate comparisons. In addition, the use of liquid separations allows for the collection of hundreds of purified proteins in the liquid phase for further analysis via peptide mass mapping using matrix assisted laser desorption ionization TOF MS. A description of the methodology used and its applications to analysis of several types of human cancer cell lines is described. The potential of the method for differential proteomic analysis for the identification of biomarkers of disease is discussed.

  14. Impact of reversed phase column pairs in comprehensive two-dimensional liquid chromatography.

    Science.gov (United States)

    Allen, Robert C; Barnes, Brian B; Haidar Ahmad, Imad A; Filgueira, Marcelo R; Carr, Peter W

    2014-09-26

    A major issue in optimizing the resolving power of two-dimensional chromatographic separations is the choice of the two phases so as to maximize the distribution of the analytes over the separation space. In this work, we studied the choice of appropriate reversed phases to use in on-line comprehensive two-dimensional liquid chromatography (LC×LC). A set of four chemically different conventional bonded reversed phases was used in the first dimension. The second dimension column was either a conventional bonded C18 phase or a carbon-clad phase (CCP). The LC×LC chromatograms and contour plots were all rather similar indicating that the selectivities of the two phases were also similar regardless of the reverse phase column used in the first dimension. Further, the spatial coverage seen with all four first dimension stationary phases when paired with a second dimension C18 phase were low and the retention times were strongly correlated. However, when the C18 column was replaced with the CCP column much improved separations were observed with higher spatial coverages, greater orthogonalities and significant increases in the number of observed peaks.

  15. Smart templates for peak pattern matching with comprehensive two-dimensional liquid chromatography.

    Science.gov (United States)

    Reichenbach, Stephen E; Carr, Peter W; Stoll, Dwight R; Tao, Qingping

    2009-04-17

    Comprehensive two-dimensional liquid chromatography (LCxLC) generates information-rich but complex peak patterns that require automated processing for rapid chemical identification and classification. This paper describes a powerful approach and specific methods for peak pattern matching to identify and classify constituent peaks in data from LCxLC and other multidimensional chemical separations. The approach records a prototypical pattern of peaks with retention times and associated metadata, such as chemical identities and classes, in a template. Then, the template pattern is matched to the detected peaks in subsequent data and the metadata are copied from the template to identify and classify the matched peaks. Smart Templates employ rule-based constraints (e.g., multispectral matching) to increase matching accuracy. Experimental results demonstrate Smart Templates, with the combination of retention-time pattern matching and multispectral constraints, are accurate and robust with respect to changes in peak patterns associated with variable chromatographic conditions.

  16. Electron spin resonance in a two-dimensional Fermi liquid with spin-orbit coupling

    Science.gov (United States)

    Maiti, Saurabh; Imran, Muhammad; Maslov, Dmitrii L.

    2016-01-01

    Electron spin resonance (ESR) is usually viewed as a single-particle phenomenon protected from the effect of many-body correlations. We show that this is not the case in a two-dimensional Fermi liquid (FL) with spin-orbit coupling (SOC). Depending on whether the in-plane magnetic field is below or above some critical value, ESR in such a system probes up to three chiral-spin collective modes, augmented by the spin mode in the presence of the field, or the Silin-Leggett mode. All the modes are affected by both SOC and FL renormalizations. We argue that ESR can be used as a probe not only for SOC but also for many-body physics.

  17. Reproducibility of retention time and peak area in comprehensive two-dimensional liquid chromatography.

    Science.gov (United States)

    Elsner, Victoria; Wulf, Volker; Wirtz, Michaela; Schmitz, Oliver J

    2015-01-01

    Comprehensive two-dimensional liquid chromatography is used to separate anionic, nonionic, and amphoteric surfactants by substance class, alkyl chain distribution, and degree of ethoxylation. A nearly orthogonal system with a hydrophilic interaction chromatography (HILIC) phase in the first and a reversed-phase material in the second dimension is applied to generate a separation with maximum peak capacity. The potential of the developed method is demonstrated by the reproducibility of retention time and peak area, which shows standard deviations less than 5 % and the analysis of real samples. An external calibration and the standard addition method were applied to determine unknown concentrations for the alkyl chain homologues of a betaine and for one ethoxylate (EO) homologue of a fatty alcohol ethoxylate in a sample mixture.

  18. Topological Aspect and Bifurcation of Disclination Lines in Two-Dimensional Liquid Crystals

    Institute of Scientific and Technical Information of China (English)

    YANG Guo-Hong; ZHANG Hui; DUAN Yi-Shi

    2002-01-01

    Using φ-mapping method and topological current theory, the topological structure and bifurcation ofdisclination lines in two-dimensional liquid crystals are studied. By introducing the strength density and the topologicalcurrent of many disclination lines, the total disclination strength is topologically quantized by the Hopf indices andBrouwer degrees at the singularities of the director field when the Jacobian determinant of director field does not vanish.When the Jacobian determinant vanishes, the origin, annihilation and bifurcation processes of disclination lines arestudied in the neighborhoods of the limit points and bifurcation points, respectively. The branch solutions at the limitpoint and the different directions of all branch curves at the bifurcation point are calculated with the conservation lawof the topological quantum numbers. It is pointed out that a disclination line with a higher strength is unstable and itwill evolve to the lower strength state through the bifurcation process.

  19. 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.

  20. Two-dimensional pattern formation in ionic liquids confined between graphene walls.

    Science.gov (United States)

    Montes-Campos, Hadrián; Otero-Mato, José Manuel; Méndez-Morales, Trinidad; Cabeza, Oscar; Gallego, Luis J; Ciach, Alina; Varela, Luis M

    2017-09-20

    We perform molecular dynamics simulations of ionic liquids confined between graphene walls under a large variety of conditions (pure ionic liquids, mixtures with water and alcohols, mixtures with lithium salts and defective graphene walls). Our results show that the formation of striped and hexagonal patterns in the Stern layer can be considered as a general feature of ionic liquids at electrochemical interfaces, the transition between patterns being controlled by the net balance of charge in the innermost layer of adsorbed molecules. This explains previously reported experimental and computational results and, for the first time, why these pattern changes are triggered by any perturbation of the charge density at the innermost layer of the electric double layer (voltage and composition changes, and vacancies at the electrode walls, among others), which may help tuning electrode-ionic liquid interfaces. Using Monte Carlo simulations we show that such structures can be reproduced by a simple two-dimensional lattice model with only nearest-neighbour interactions, governed by highly screened ionic interactions and short-range and excluded volume interactions. We also show that the results of our simulations are consistent with those inferred from the Landau-Brazovskii theory of pattern formation in self-assembling systems. The presence of these patterns at the ionic liquid graphene-electrode interfaces may have a strong impact on the process of ionic transfer from the bulk mixtures to the electrodes, on the differential capacitance of the electrode-electrolyte double layer or on the rates of redox reactions at the electrodes, among other physicochemical properties, and is therefore an effect of great technological interest.

  1. An equation for pressure of a two-dimensional Yukawa liquid

    Science.gov (United States)

    Feng, Yan; Li, Wei; Wang, Qiaoling; Lin, Wei; Goree, John; Liu, Bin

    2016-10-01

    Thermodynamic behavior of two-dimensional (2D) dusty plasmas has been studied experimentally and theoretically recently. As a crucial parameter in thermodynamics, the pressure of dusty plasmas arises from frequent collisions of individual dust particles. Here, equilibrium molecular dynamical simulations were performed to study the pressure of 2D Yukawa liquids. A simple analytical expression for the pressure of a 2D Yukawa liquid is found by fitting the obtained pressure data over a wide range of temperatures, from the coldest close to the melting point, to the hottest about 70 times higher than the melting points. The obtained expression verifies that the pressure can be written as the sum of a potential term which is a simple multiple of the Coulomb potential energy at a distance of Wigner-Seitz radius, and a kinetic term which is a multiple of the one for an ideal gas. Dimensionless coefficients for each of these terms are found empirically, by fitting. The resulting analytical expression, with its empirically determined coefficients, is plotted as isochors, or curves of constant area. These results should be applicable to 2D dusty plasmas. Work in China supported by by the National Natural Science Foundation of China under Grant No. 11505124, the 1000 Youth Talents Plan, and startup funds from Soochow University. Work in the US supported by DOE & NSF.

  2. 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

  3. Electrically tunable two-dimensional holographic polymer-dispersed liquid crystal grating with variable period

    Science.gov (United States)

    Wang, Kangni; Zheng, Jihong; Liu, Yourong; Gao, Hui; Zhuang, Songlin

    2017-06-01

    An electrically tunable two-dimensional (2D) holographic polymer-dispersed liquid crystal (H-PDLC) grating with variable period was fabricated by inserting a cylindrical lens in a conventional holographic interference beam. The interference between the plane wave and cylindrical wave resulting in varying intersection angles on the sample, combined with dual exposure along directions perpendicular to each other, generates a 2D H-PDLC grating with varied period. We have identified periods varying from 3.109 to 5.158 μm across a 16 mm width, with supporting theoretical equations for the period. The period exhibits a symmetrical square lattice in a diagonal direction, with an asymmetrical rectangular lattice in off-diagonal locations. With the first exposure at 2 s and the second exposure at 60 s, the phase separation between the prepolymer and liquid crystal was most evident. The diffraction properties and optic-electric characteristics were also studied. The diffraction efficiency of first-order light was observed to be 13.5% without external voltage, and the transmission efficiency of non-diffracted light was 78% with an applied voltage of 100 V. The proposed method provides the capability of generating period variation to the conventional holographic interference path, with potential application in diffractive optics such as tunable multi-wavelength organic lasing from a dye-doped 2D H-PDLC grating.

  4. Evidence of dynamic crossover phenomena in water and other glass-forming liquids: experiments, MD simulations and theory

    Energy Technology Data Exchange (ETDEWEB)

    Chen, S H; Zhang, Y; Lagi, M [Department of Nuclear Science and Engineering, Massachusetts Institute of Technology, Cambridge, MA 02139 (United States); Chong, S H [Institute for Molecular Science, Okazaki 444-8585 (Japan); Baglioni, P [Department of Chemistry and CSGI, University of Florence, Sesto Fiorentino, I-50019 Florence (Italy); Mallamace, F, E-mail: sowhsin@mit.ed [Dipartimento di Fisica, Universita di Messina and IRCCS Neurolesi ' Bonino-Pulejo' , I-98166 Messina (Italy)

    2009-12-16

    In a recent quasi-elastic neutron scattering experiment on water confined in a Portland cement paste, we find that this 3D confined water shows a dynamic crossover phenomenon at T{sub L} = 227 +- 5 K. The DSC heat-flow scan upon cooling and an independent measurement of specific heat at constant pressure of confined water in silica gel show a prominent peak at the same temperature. We show in this paper that this type of behavior is common to many other glassy liquids, which also show the crossover temperature in coincidence with the temperature of a small specific heat peak. We also demonstrate with MD simulations that the dynamic crossover phenomenon in confined water is an intrinsic property of bulk water, and is not due to the confinement effect. Recently, an extended version of the mode coupling theory (MCT) including the hopping effect was developed. This theory shows that, instead of a structural arrest transition at T{sub C} predicted by the idealized MCT, a fragile-to-strong dynamic crossover phenomenon takes place instead at T{sub C}, confirming both the experimental and the numerical results. The coherent and incoherent alpha relaxation times can be scaled with the calculated viscosity, showing the same crossover phenomenon. We thus demonstrated with experiments, simulations and theory that a genuine change of dynamical behavior of both water and many glassy liquids happens at the crossover temperature T{sub L}, which is 10-30% higher than the calorimetric glass transition temperature T{sub g}.

  5. Dynamics of glass-forming liquids. XX. Third harmonic experiments of non-linear dielectric effects versus a phenomenological model

    Science.gov (United States)

    Kim, Pyeongeun; Young-Gonzales, Amanda R.; Richert, Ranko

    2016-08-01

    We have re-measured the third harmonic non-linear dielectric response of supercooled glycerol using zero-bias sinusoidal electric fields, with the aim of comparing the resulting susceptibilities with a phenomenological model of non-linear dielectric responses. In the absence of known chemical effects in this liquid, the present model accounts for three sources of non-linear behavior: dielectric saturation, field induced entropy reduction, and energy absorption from the time dependent field. Using parameters obtained from static high field results, the present model reproduces the characteristic features observed in the third harmonic susceptibility spectra: a low frequency plateau originating from dielectric saturation and a peak positioned below the loss peak frequency whose amplitude increases with decreasing temperature. Semi-quantitative agreement is achieved between experiment and the present model, which does not involve spatial scales or dynamical correlations explicitly. By calculating the three contributions separately, the model reveals that the entropy effect is the main source of the "hump" feature of this third harmonic response.

  6. A two-dimensional algebraic quantum liquid produced by an atomic simulator of the quantum Lifshitz model.

    Science.gov (United States)

    Po, Hoi Chun; Zhou, Qi

    2015-08-13

    Bosons have a natural instinct to condense at zero temperature. It is a long-standing challenge to create a high-dimensional quantum liquid that does not exhibit long-range order at the ground state, as either extreme experimental parameters or sophisticated designs of microscopic Hamiltonians are required for suppressing the condensation. Here we show that synthetic gauge fields for ultracold atoms, using either the Raman scheme or shaken lattices, provide physicists a simple and practical scheme to produce a two-dimensional algebraic quantum liquid at the ground state. This quantum liquid arises at a critical Lifshitz point, where a two-dimensional quartic dispersion emerges in the momentum space, and many fundamental properties of two-dimensional bosons are changed in its proximity. Such an ideal simulator of the quantum Lifshitz model allows experimentalists to directly visualize and explore the deconfinement transition of topological excitations, an intriguing phenomenon that is difficult to access in other systems.

  7. Coarse-grained single-particle dynamics in two-dimensional solids and liquids.

    Science.gov (United States)

    Silbermann, Jörg R; Schoen, Martin; Klapp, Sabine H L

    2008-07-01

    We consider the dynamics of a single tagged particle in a two-dimensional system governed by Lennard-Jones interactions. Previous work based on the Mori-Zwanzig projection operator formalism has shown that the single-particles dynamics can be described via a generalized Langevin equation (GLE) which is exact within the harmonic approximation, that is, for a low-temperature solid [J. M. Deutch and R. Silbey, Phys. Rev. A 3, 2049 (1971)]. In the present work we explore to what an extent the GLE reproduces the effective dynamics under thermodynamic conditions where the harmonic approximation is no longer justified. To this end we compute characteristic time autocorrelation functions for the tagged particle in molecular dynamics simulations of the full system and compare these functions with those obtained from solving the GLE. At low temperatures we find excellent agreement between both data sets. Deviations emerge at higher temperatures which are, however, surprisingly small even in the high-temperature liquid phase.

  8. Metabolome analysis via comprehensive two-dimensional liquid chromatography: identification of modified nucleosides from RNA metabolism.

    Science.gov (United States)

    Willmann, Lucas; Erbes, Thalia; Krieger, Sonja; Trafkowski, Jens; Rodamer, Michael; Kammerer, Bernd

    2015-05-01

    Modified nucleosides derived from the RNA metabolism constitute an important chemical class, which are discussed as potential biomarkers in the detection of mammalian breast cancer. Not only the variability of modifications, but also the complexity of biological matrices such as urinary samples poses challenges in the analysis of modified nucleosides. In the present work, a comprehensive two-dimensional liquid chromatography mass spectrometry (2D-LC-MS) approach for the analysis of modified nucleosides in biological samples was established. For prepurification of urinary samples and cell culture supernatants, we performed a cis-diol specific affinity chromatography using boronate-derivatized polyacrylamide gel. In order to establish a 2D-LC method, we tested numerous column combinations and chromatographic conditions. In order to determine the target compounds, we coupled the 2D-LC setup to a triple quadrupole mass spectrometer performing full scans, neutral loss scans, and multiple reaction monitoring (MRM). The combination of a Zorbax Eclipse Plus C18 column with a Zorbax Bonus-RP column was found to deliver a high degree of orthogonality and adequate separation. By application of 2D-LC-MS approaches, we were able to detect 28 target compounds from RNA metabolism and crosslinked pathways in urinary samples and 26 target compounds in cell culture supernatants, respectively. This is the first demonstration of the applicability and benefit of 2D-LC-MS for the targeted metabolome analysis of modified nucleosides and compounds from crosslinked pathways in different biological matrices.

  9. Ground-state and dynamical properties of two-dimensional dipolar Fermi liquids

    Science.gov (United States)

    Abedinpour, Saeed H.; Asgari, Reza; Tanatar, B.; Polini, Marco

    2014-01-01

    We study the ground-state properties of a two-dimensional spin-polarized fluid of dipolar fermions within the Euler-Lagrange Fermi-hypernetted-chain approximation. Our method is based on the solution of a scattering Schrödinger equation for the "pair amplitude" g(r), where g(r) is the pair distribution function. A key ingredient in our theory is the effective pair potential, which includes a bosonic term from Jastrow-Feenberg correlations and a fermionic contribution from kinetic energy and exchange, which is tailored to reproduce the Hartree-Fock limit at weak coupling. Very good agreement with recent results based on quantum Monte Carlo simulations is achieved over a wide range of coupling constants up to the liquid-to-crystal quantum phase transition. Using the fluctuation-dissipation theorem and a static approximation for the effective inter-particle interactions, we calculate the dynamical density-density response function, and furthermore demonstrate that an undamped zero-sound mode exists for any value of the interaction strength, down to infinitesimally weak couplings.

  10. Two-Dimensional Bipyramid Plasmonic Nanoparticle Liquid Crystalline Superstructure with Four Distinct Orientational Packing Orders.

    Science.gov (United States)

    Shi, Qianqian; Si, Kae Jye; Sikdar, Debabrata; Yap, Lim Wei; Premaratne, Malin; Cheng, Wenlong

    2016-01-26

    Anisotropic plasmonic nanoparticles have been successfully used as constituent elements for growing ordered nanoparticle arrays. However, orientational control over their spatial ordering remains challenging. Here, we report on a self-assembled two-dimensional (2D) nanoparticle liquid crystalline superstructure (NLCS) from bipyramid gold nanoparticles (BNPs), which showed four distinct orientational packing orders, corresponding to horizontal alignment (H-NLCS), circular arrangement (C-NLCS), slanted alignment (S-NLCS), and vertical alignment (V-NLCS) of constituent particle building elements. These packing orders are characteristic of the unique shape of BNPs because all four packing modes were observed for particles with various sizes. Nevertheless, only H-NLCS and V-NLCS packing orders were observed for the free-standing ordered array nanosheets formed from a drying-mediated self-assembly at the air/water interface of a sessile droplet. This is due to strong surface tension and the absence of particle-substrate interaction. In addition, we found the collective plasmonic coupling properties mainly depend on the packing type, and characteristic coupling peak locations depend on particle sizes. Interestingly, surface-enhanced Raman scattering (SERS) enhancements were heavily dependent on the orientational packing ordering. In particular, V-NLCS showed the highest Raman enhancement factor, which was about 77-fold greater than the H-NLCS and about 19-fold greater than C-NLCS. The results presented here reveal the nature and significance of orientational ordering in controlling plasmonic coupling and SERS enhancements of ordered plasmonic nanoparticle arrays.

  11. Analysis of fatty alcohol derivatives with comprehensive two-dimensional liquid chromatography coupled with mass spectrometry.

    Science.gov (United States)

    Elsner, Victoria; Laun, Sabrina; Melchior, David; Köhler, Michael; Schmitz, Oliver J

    2012-12-14

    A simultaneous separation of anionic (fatty alcohol sulfates, fatty alcohol ether sulfates), non-ionic (alkyl polyglucosides, fatty alcohol ethoxylates) and amphoteric (cocamidopropyl betaines) surfactants was performed by comprehensive two-dimensional liquid chromatography (LCxLC) utilizing a ZIC(®)-HILIC column in the first dimension, a Reprosphere 100 C8-Aqua column in the second dimension and a 10-port two position valve as the interface. The volume of the two sample loops were 25 or 50 μL and allow a one or two minute modulation at a 25 μL/min flow rate. In the first dimension, a gradient of acetonitrile and an ammonium acetate buffer was used to separate polyethoxylated surfactants by their degree of ethoxylation (EO number) whereas in the second dimension, a separation by alkyl chain was performed using a methanol/ammonium acetate buffer gradient. A baseline separation of the above mentioned surfactants according to both EO number and alkyl chain was achieved. The best performance was used to compare two different LCxLC-QTOF MS systems, which demonstrate that a transfer of the method from one system to a totally different system is possible. However, because of the differences in delay volume and extra-column volume between these systems the separation power is changed.

  12. Characterization of hydroxypropylmethylcellulose (HPMC) using comprehensive two-dimensional liquid chromatography.

    Science.gov (United States)

    Greiderer, Andreas; Steeneken, Linda; Aalbers, Tom; Vivó-Truyols, Gabriel; Schoenmakers, Peter

    2011-08-26

    Various hydroxyl-propylmethylcellulose (HPMC) polymers were characterized according to size and compositional distributions (percentage of methoxyl and hydroxyl-propoxyl substitution) by means of comprehensive two-dimensional liquid chromatography (LC×LC) using reversed-phase (RP) liquid chromatography in the first dimension and aqueous size-exclusion chromatography (aq-SEC) in the second dimension. RP separation was carried out in gradient-elution mode applying 0.05% TFA in water and 1-propanol, while 0.05% TFA in water was used as mobile phase in aqueous SEC. A two-position ten-port switching valve equipped with two storage loops was used to realize LC×LC. Detection of HPMC was accomplished by charged-aerosol detection (CAD). Data processing to visualize chromatograms was carried out using Matlab software. The significant influence of the LC×LC temperature on (the retention of) HPMC was studied using a column oven which allowed accurate temperature control. Due to the phenomenon of thermal gelation, which is a result of methyl and hydroxypropyl substitution of anhydroglucose units from the cellulose backbone, we were able to obtain additional, specific information on compositional characteristics of various HPMC samples. As the retention behaviour of gelated and non-gelated polymer proved to be different, the fraction of the polymer that is gelated in the chromatographic column could be monitored at different temperatures. Moreover, the temperature at which half of the polymer is gelated could be correlated with the cloud-point temperature. As a result, differences in inherent cloud points of modified cellulose can be used as a further distinguishing property in "temperature-responsive" LC×LC.

  13. Transition from Arrhenius to non-Arrhenius temperature dependence of structural relaxation time in glass-forming liquids: Continuous versus discontinuous scenario

    Science.gov (United States)

    Popova, V. A.; Surovtsev, N. V.

    2014-09-01

    The temperature dependences of α relaxation time τα(T) of three glass-forming liquids (salol, o-terphenyl, and α-picoline) were investigated by a depolarized light scattering technique. A detailed description of τα(T) near TA, the temperature of the transition from the Arrhenius law at high temperatures to a non-Arrhenius behavior of τα(T) at lower temperatures, was done. It was found that this transition is quite sharp. If the transition is described as switching from the Arrhenius law to the Vogel-Fulcher-Tammann law, it occurs within the temperature range of about 15 K or less. Most of the known expressions for τα(T) cannot describe this sharp transition. Our analysis revealed that this transition can be described either as a discontinuous transition in the spirit of the frustration-limited domain theory [D. Kivelson, G. Tarjus, X. Zhao, and S. A. Kivelson, Phys. Rev. E 53, 751 (1996), 10.1103/PhysRevE.53.751], implying a phase transition, or by a phenomenological expression recently suggested [B. Schmidtke, N. Petzold, R. Kahlau, M. Hofmann, and E. A. Rössler, Phys. Rev. E 86, 041507 (2012), 10.1103/PhysRevE.86.041507], where the activation energy includes the term depending exponentially on temperature.

  14. Transition from Arrhenius to non-Arrhenius temperature dependence of structural relaxation time in glass-forming liquids: continuous versus discontinuous scenario.

    Science.gov (United States)

    Popova, V A; Surovtsev, N V

    2014-09-01

    The temperature dependences of α relaxation time τ(α)(T) of three glass-forming liquids (salol, o-terphenyl, and α-picoline) were investigated by a depolarized light scattering technique. A detailed description of τ(α)(T) near T(A), the temperature of the transition from the Arrhenius law at high temperatures to a non-Arrhenius behavior of τ(α)(T) at lower temperatures, was done. It was found that this transition is quite sharp. If the transition is described as switching from the Arrhenius law to the Vogel-Fulcher-Tammann law, it occurs within the temperature range of about 15 K or less. Most of the known expressions for τ(α)(T) cannot describe this sharp transition. Our analysis revealed that this transition can be described either as a discontinuous transition in the spirit of the frustration-limited domain theory [D. Kivelson, G. Tarjus, X. Zhao, and S. A. Kivelson, Phys. Rev. E 53, 751 (1996)], implying a phase transition, or by a phenomenological expression recently suggested [B. Schmidtke, N. Petzold, R. Kahlau, M. Hofmann, and E. A. Rössler, Phys. Rev. E 86, 041507 (2012)], where the activation energy includes the term depending exponentially on temperature.

  15. Double Off-line Two-dimensional Liquid Chromatography for Separation and Identification of Compounds in Salvia Miltiorrhiza (Danshen

    Directory of Open Access Journals (Sweden)

    Ji-xia Wang

    2015-07-01

    Full Text Available Background: Danshen is an important traditional Chinese medicine (TCM used for the treatment of cardiovascular and cerebrovascular diseases. Separation and analysis of its components have been widely investigated. However, the systematical two dimensional liquid chromatography (2D-LC methods have not been developed to comprehensively separate and characterize its components.

  16. Anharmonic exciton dynamics and energy dissipation in liquid water from two-dimensional infrared spectroscopy

    Science.gov (United States)

    De Marco, Luigi; Fournier, Joseph A.; Thämer, Martin; Carpenter, William; Tokmakoff, Andrei

    2016-09-01

    Water's extended hydrogen-bond network results in rich and complex dynamics on the sub-picosecond time scale. In this paper, we present a comprehensive analysis of the two-dimensional infrared (2D IR) spectrum of O-H stretching vibrations in liquid H2O and their interactions with bending and intermolecular vibrations. By exploring the dependence of the spectrum on waiting time, temperature, and laser polarization, we refine our molecular picture of water's complex ultrafast dynamics. The spectral evolution following excitation of the O-H stretching resonance reveals vibrational dynamics on the 50-300 fs time scale that are dominated by intermolecular delocalization. These O-H stretch excitons are a result of the anharmonicity of the nuclear potential energy surface that arises from the hydrogen-bonding interaction. The extent of O-H stretching excitons is characterized through 2D depolarization measurements that show spectrally dependent delocalization in agreement with theoretical predictions. Furthermore, we show that these dynamics are insensitive to temperature, indicating that the exciton dynamics alone set the important time scales in the system. Finally, we study the evolution of the O-H stretching mode, which shows highly non-adiabatic dynamics suggestive of vibrational conical intersections. We argue that the so-called heating, commonly observed within ˜1 ps in nonlinear IR spectroscopy of water, is a nonequilibrium state better described by a kinetic temperature rather than a Boltzmann distribution. Our conclusions imply that the collective nature of water vibrations should be considered in describing aqueous solvation.

  17. SYNTHESIS AND CHARACTERIZATION OF LIQUID CRYSTAL POLYMERS WITH T-SHAPED TWO-DIMENSIONAL MESOGENIC UNITS (Ⅱ)

    Institute of Scientific and Technical Information of China (English)

    LI Zifa; ZHENG Shijun; ZHANG Shuyuan; CAO Shaokui; LI Lei; LIU Guangsheng; ZHOU Qifeng

    1997-01-01

    A series of liquid crystalline polymers with T-shaped two-dimensional mesogenic units were synthesized via low temperature solution polycondensation of 2-(4'-alkoxy-phenyl) hydroquinone with various diacyl dichlorides. The polymers were found to be nematic and shown thermotropic liquid crystalline behaviors through observations using DSC, polarized microscopy and X-ray diffraction. The melting temperature Tm and the isotropization temperature Ti of the polymers change regularly with varying of the monomer structures.

  18. Full molecular dynamics simulations of liquid water and carbon tetrachloride for two-dimensional Raman spectroscopy in the frequency domain

    CERN Document Server

    Jo, Ju-Yeon; Tanimura, Yoshitaka

    2016-01-01

    Frequency-domain two-dimensional Raman signals, which are equivalent to coherent two-dimensional Raman scattering (COTRAS) signals, for liquid water and carbon tetrachloride were calculated using an equilibrium-nonequilibrium hybrid MD simulation algorithm. We elucidate mechanisms governing the 2D signal pro?les involving anharmonic mode-mode coupling and the nonlinearities of the polarizability for the intermolecular and intramolecular vibrational modes. The predicted signal pro?les and intensities can be utilized to analyze recently developed single-beam 2D spectra, whose signals are generated from a coherently controlled pulse, allowing the single-beam measurement to be carried out more efficiently.

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

    Science.gov (United States)

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

    2014-03-01

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

  20. Emergence of a two-dimensional macrospin liquid in a highly frustrated three-dimensional quantum magnet

    Science.gov (United States)

    Sikkenk, Tycho S.; Coester, Kris; Buhrandt, Stefan; Fritz, Lars; Schmidt, Kai P.

    2017-02-01

    The classical Ising model on the frustrated three-dimensional (3D) swedenborgite lattice has disordered spin liquid ground states for all ratios of inter- and intraplanar couplings. Quantum fluctuations due to a transverse field give rise to several exotic phenomena. In the limit of weakly coupled kagome layers we find a 3D version of disorder by disorder degeneracy lifting. For large out-of-plane couplings one-dimensional macrospins are formed, which realize a disordered macrospin liquid phase on an emerging two-dimensional triangular lattice. We speculate about a possibly exotic version of quantum criticality that connects the polarized phase to the macrospin liquid.

  1. Non-equilibrium nature of two-dimensional isotropic and nematic coexistence in amyloid fibrils at liquid interfaces.

    Science.gov (United States)

    Jordens, Sophia; Isa, Lucio; Usov, Ivan; Mezzenga, Raffaele

    2013-01-01

    Two-dimensional alignment of shape-anisotropic colloids is ubiquitous in nature, ranging from interfacial virus assembly to amyloid plaque formation. The principles governing two-dimensional self-assembly have therefore long been studied, both theoretically and experimentally, leading, however, to diverging fundamental interpretations on the nature of the two-dimensional isotropic-nematic phase transition. Here we employ single-molecule atomic force microscopy, cryogenic scanning electron microscopy and passive probe particle tracking to study the adsorption and liquid crystalline ordering of semiflexible β-lactoglobulin fibrils at liquid interfaces. Fibrillar rigidity changes on increasing interfacial density, with a maximum caused by alignment and a subsequent decrease stemming from crowding and domain bending. Coexistence of nematic and isotropic regions is resolved and quantified by a length scale-dependent order parameter S(2D)(d). The nematic surface fraction increases with interfacial fibril density, but depends, for a fixed interfacial density, on the initial bulk concentration, ascribing the observed two-dimensional isotropic-nematic coexistence to non-equilibrium phenomena.

  2. Comprehensive characterization of Stevia rebaudiana using two-dimensional reversed-phase liquid chromatography/hydrophilic interaction liquid chromatography.

    Science.gov (United States)

    Fu, Qing; Guo, Zhimou; Zhang, Xiuli; Liu, Yanfang; Liang, Xinmiao

    2012-07-01

    Two-dimensional reversed-phase liquid chromatography/hydrophilic interaction liquid chromatography (2D-RPLC/HILIC) system was successfully applied for comprehensive characterization of steviol glycosides from Stevia rebaudiana. The experiments were performed in offline mode using an XCharge C18 column in first dimension and an XAmide column in second dimension. In first dimension, preliminary separation of Stevia aqueous extract was accomplished and 30 fractions were collected. Then fractions 1-20 were selected for further purification and 13 compounds with high purity were obtained in second dimension. Comprehensive characterization of these compounds was completed by determination of their retention time, accurate molecular weight, diagnostic fragmentation ions, and nuclear magnetic resonance spectroscopy. As a result, all nine known steviol glycosides, as well as other four steviol glycosides were fully purified. The result demonstrated that this procedure is an effective approach for the preparative separation and comprehensive characterization of steviol glycosides in Stevia. This 2D-RPLC/HILIC method will be a promising tool for the purification of low-abundance compounds from natural products.

  3. Comprehensive two-dimensional liquid chromatography: Ion chromatography × reversed-phase liquid chromatography for separation of low-molar-mass organic acids

    NARCIS (Netherlands)

    S.S. Brudin; R.A. Shellie; P.R. Haddad; P.J. Schoenmakers

    2010-01-01

    In the work presented here a novel approach to comprehensive two-dimensional liquid chromatography is evaluated. Ion chromatography is chosen for the first-dimension separation and reversed-phase liquid chromatography is chosen for the second-dimension separation mode. The coupling of these modes is

  4. 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.

  5. Quantum spin liquid and magnetic order in a two-dimensional nonsymmorphic lattice: Considering the distorted kagome lattice of volborthite

    Science.gov (United States)

    Chern, Li Ern; Hwang, Kyusung; Mizoguchi, Tomonari; Huh, Yejin; Kim, Yong Baek

    2017-07-01

    The Kagome-lattice-based material, volborthite, Cu3V2O7(OH) 2.2 H2O , has been considered as a promising platform for discovery of unusual quantum ground states due to the frustrated nature of spin interaction. We explore possible quantum spin liquid and magnetically ordered phases in a two-dimensional nonsymmorphic lattice, which is described by the plane group p 2 g g , consistent with the spatial anisotropy of the spin model derived from density functional theory (DFT) for volborthite. Using the projective symmetry group (PSG) analysis and Schwinger boson mean field theory, we classify possible spin liquid phases with bosonic spinons and investigate magnetically ordered phases connected to such states. It is shown, in general, that only translationally invariant mean field spin liquid ansatzes are allowed in two-dimensional nonsymmorphic lattices. We study the mean field phase diagram of the DFT-derived spin model and find that possible quantum spin liquid phases are connected to two types of magnetically ordered phases, a coplanar incommensurate (q ,0 ) spiral order as the ground state and a closely competing coplanar commensurate (π ,π ) spin density wave order. In addition, periodicity enhancement of the two-spinon continuum, a consequence of symmetry fractionalization, is found in the spin liquid state connected to the (π ,π ) spin density wave order. We discuss relevance of these results to recent and future experiments on volborthite.

  6. Two-dimensional spin liquids with Z2 topological order in an array of quantum wires

    Science.gov (United States)

    Patel, Aavishkar A.; Chowdhury, Debanjan

    2016-11-01

    Insulating Z2 spin liquids are a phase of matter with bulk anyonic quasiparticle excitations and ground-state degeneracies on manifolds with nontrivial topology. We construct a time-reversal symmetric Z2 spin liquid in two spatial dimensions using an array of quantum wires. We identify the anyons as kinks in the appropriate Luttinger-liquid description, compute their mutual statistics, and construct local operators that transport these quasiparticles. We also present a construction of a fractionalized Fermi liquid (FL*) by coupling the spin sector of the Z2 spin liquid to a Fermi liquid via a Kondo-like coupling.

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

    Science.gov (United States)

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

    2016-07-01

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

  8. Enantioselective reaction monitoring utilizing two-dimensional heart-cut liquid chromatography on an integrated microfluidic chip.

    Science.gov (United States)

    Lotter, Carsten; Poehler, Elisabeth; Heiland, Josef J; Mauritz, Laura; Belder, Detlev

    2016-11-29

    Chip-integrated, two-dimensional high performance liquid chromatography is introduced to monitor enantioselective continuous micro-flow synthesis. The herein described development of the first two-dimensional HPLC-chip was realized by the integration of two different columns packed with reversed-phase and chiral stationary phase material on a microfluidic glass chip, coupled to mass spectrometry. Directed steering of the micro-flows at the joining transfer cross enabled a heart-cut operation mode to transfer the chiral compound of interest from the first to the second chromatographic dimension. This allows for an interference-free determination of the enantiomeric excess by seamless hyphenation to electrospray mass spectrometry. The application for rapid reaction optimization at micro-flow conditions is exemplarily shown for the asymmetric organocatalytic continuous micro-flow synthesis of warfarin.

  9. Peak picking and the assessment of separation performance in two-dimensional high performance liquid chromatography

    Energy Technology Data Exchange (ETDEWEB)

    Guiochon, Georges A [ORNL; Shalliker, R. Andrew [University of Western Sydney, Australia

    2010-01-01

    An algorithm was developed for 2DHPLC that automated the process of peak recognition, measuring their retention times, and then subsequently plotting the information in a two-dimensional retention plane. Following the recognition of peaks, the software then performed a series of statistical assessments of the separation performance, measuring for example, correlation between dimensions, peak capacity and the percentage of usage of the separation space. Peak recognition was achieved by interpreting the first and second derivatives of each respective one-dimensional chromatogram to determine the 1D retention times of each solute and then compiling these retention times for each respective fraction 'cut'. Due to the nature of comprehensive 2DHPLC adjacent cut fractions may contain peaks common to more than one cut fraction. The algorithm determined which components were common in adjacent cuts and subsequently calculated the peak maximum profile by interpolating the space between adjacent peaks. This algorithm was applied to the analysis of a two-dimensional separation of an apple flesh extract separated in a first dimension comprising a cyano stationary phase and an aqueous/THF mobile phase as the first dimension and a second dimension comprising C18-Hydro with an aqueous/MeOH mobile phase. A total of 187 peaks were detected.

  10. Visualization of Structured Packing with Laser Induced Fluorescence Technique:Two-Dimensional Measurement of Liquid Concentration Distribution

    Institute of Scientific and Technical Information of China (English)

    刘伯潭; 申言同; 张会书; 刘春江; 唐忠利; 袁希钢

    2016-01-01

    A method of using laser induced fluorescence(LIF)technique was applied to two-dimensional meas-urement of the liquid concentration distribution in the 250Y structured packing sheet. The experimental structured packing sheet was made of perspex so that the laser could pass through it. The visualization of the distribution of the liquid concentration in the structured packing sheet was realized. The calibration of the thickness and liquid concentration was carried out firstly and the regression formulaI=kcd was acquired, in which concentrationc and the liquid film thicknessd were both considered. Then the liquid feed of uniform tracer(rhodamine)concentration entered the perspex structured packing from the top under different spraying densities. The corresponding thickness of liquid film on the packing was calculated. Finally, tracer(rhodamine)with a high concentration was injected only at one fixed point of the structured packing under different spraying densities of the liquid. With the known liquid film thickness, the concentration distribution of the tracer can be calculated inside the structured packing sheet.

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

    Energy Technology Data Exchange (ETDEWEB)

    Landmann, S. [Universität Leipzig, Institut für Theoretische Physik, Brüderstr. 16, 04103 Leipzig (Germany); Kählert, H.; Thomsen, H.; Bonitz, M. [Christian-Albrechts-Universität zu Kiel, Institut für Theoretische Physik und Astrophysik, Leibnizstr. 15, 24098 Kiel (Germany)

    2015-09-15

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

  12. Noncontact Cohesive Swimming of Bacteria in Two-Dimensional Liquid Films

    Science.gov (United States)

    Li, Ye; Zhai, He; Sanchez, Sandra; Kearns, Daniel B.; Wu, Yilin

    2017-07-01

    Bacterial swimming in confined two-dimensional environments is ubiquitous in nature and in clinical settings. Characterizing individual interactions between swimming bacteria in 2D confinement will help to understand diverse microbial processes, such as bacterial swarming and biofilm formation. Here we report a novel motion pattern displayed by flagellated bacteria in 2D confinement: When two nearby cells align their moving directions, they tend to engage in cohesive swimming without direct cell body contact, as a result of hydrodynamic interaction but not flagellar intertwining. We further found that cells in cohesive swimming move with higher directional persistence, which can increase the effective diffusivity of cells by ˜3 times as predicted by computational modeling. As a conserved behavior for peritrichously flagellated bacteria, cohesive swimming in 2D confinement may be key to collective motion and self-organization in bacterial swarms; it may also promote bacterial dispersal in unsaturated soils and in interstitial space during infections.

  13. Fermi liquid-to-Bose condensate crossover in a two-dimensional ultracold gas experiment

    Science.gov (United States)

    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.

  14. Liquid-Gated High Mobility and Quantum Oscillation of the Two-Dimensional Electron Gas at an Oxide Interface.

    Science.gov (United States)

    Zeng, Shengwei; Lü, Weiming; Huang, Zhen; Liu, Zhiqi; Han, Kun; Gopinadhan, Kalon; Li, Changjian; Guo, Rui; Zhou, Wenxiong; Ma, Haijiao Harsan; Jian, Linke; Venkatesan, Thirumalai; Ariando

    2016-04-26

    Electric field effect in electronic double layer transistor (EDLT) configuration with ionic liquids as the dielectric materials is a powerful means of exploring various properties in different materials. Here, we demonstrate the modulation of electrical transport properties and extremely high mobility of two-dimensional electron gas at LaAlO3/SrTiO3 (LAO/STO) interface through ionic liquid-assisted electric field effect. With a change of the gate voltages, the depletion of charge carrier and the resultant enhancement of electron mobility up to 19 380 cm(2)/(V s) are realized, leading to quantum oscillations of the conductivity at the LAO/STO interface. The present results suggest that high-mobility oxide interfaces, which exhibit quantum phenomena, could be obtained by ionic liquid-assisted field effect.

  15. Two-dimensional liquid chromatography for direct chiral separations: a review.

    Science.gov (United States)

    León-González, María Eugenia; Rosales-Conrado, Noelia; Pérez-Arribas, Luis Vicente; Guillén-Casla, Vanesa

    2014-01-01

    Separation of enantiomers remains a challenge owing to their identical physical and chemical properties in an achiral environment, and research on specialized separation techniques such as multidimensional achiral-chiral liquid chromatography continues to resolve individual enantiomers in complex samples. Recent advances in application of multidimensional liquid chromatography applied to chiral analysis are reviewed. For this reason, benefits of achiral-chiral coupling are shown, with emphasis in applications on biological and pharmaceutical fields as well as pesticide analysis. A description of standard instrumental setup in both heart-cut and comprehensive multidimensional liquid chromatography is shown. The most broadly used chiral stationary phases for multidimensional liquid chromatography are summarized. An extensive overview of different interface designs applied to complex samples is presented.

  16. Bubble statistics and coarsening dynamics for quasi-two-dimensional foams with increasing liquid content.

    Science.gov (United States)

    Roth, A E; Jones, C D; Durian, D J

    2013-04-01

    We report on the statistics of bubble size, topology, and shape and on their role in the coarsening dynamics for foams consisting of bubbles compressed between two parallel plates. The design of the sample cell permits control of the liquid content, through a constant pressure condition set by the height of the foam above a liquid reservoir. We find that in the scaling regime, all bubble distributions are independent not only of time, but also of liquid content. For coarsening, the average rate decreases with liquid content due to the blocking of gas diffusion by Plateau borders inflated with liquid; we achieve a factor of 4 reduction from the dry limit. By observing the growth rate of individual bubbles, we find that von Neumann's law becomes progressively violated with increasing wetness and decreasing bubble size. We successfully model this behavior by explicitly incorporating the border-blocking effect into the von Neumann argument. Two dimensionless bubble shape parameters naturally arise, one of which is primarily responsible for the violation of von Neumann's law for foams that are not perfectly dry.

  17. Response of an anisotropic liquid-saturated porous medium due to two dimensional sources

    Indian Academy of Sciences (India)

    Rajneesh Kumar; Aseem Miglani; N R Garg

    2002-06-01

    Eigenvalue approach, following Laplace and Fourier transforms, has been employed to find the general solution to the field equations in an anisotropic liquid-saturated porous medium, in the transformed domain. The results of isotropic liquid-saturated porous medium can be derived as a special case. A numerical inversion technique has been applied to get the solutions in the physical domain. To illustrate the utility of the approach, an application of infinite space with impulsive force at the origin has been considered. The results in the form of displacement and stress components have been obtained and discussed graphically for a particular model.

  18. Two dimensional, electronic particle tracking in liquids with a graphene-based magnetic sensor array

    Science.gov (United States)

    Neumann, Rodrigo F.; Engel, Michael; Steiner, Mathias

    2016-07-01

    The investigation and control of liquid flow at the nanometer scale is a key area of applied research with high relevance to physics, chemistry, and biology. We introduce a method and a device that allows the spatial resolution of liquid flow by integrating an array of graphene-based magnetic (Hall) sensors that is used for tracking the movement of magnetic nanoparticles immersed in a liquid under investigation. With a novel device concept based on standard integration processes and experimentally verified material parameters, we numerically simulate the performance of a single sensor pixel, as well as the whole sensor array, for tracking magnetic nanoparticles having typical properties. The results demonstrate that the device enables (a) the detection of individual nanoparticles in the liquid with high accuracy and (b) the reconstruction of a particle's flow-driven trajectory across the integrated sensor array with sub-pixel precision as a function of time, in what we call the ``Magnetic nanoparticle velocimetry'' technique. Since the method does not rely on optical detection, potential lab-on-chip applications include particle tracking and flow analysis in opaque media at the sub-micron scale.The investigation and control of liquid flow at the nanometer scale is a key area of applied research with high relevance to physics, chemistry, and biology. We introduce a method and a device that allows the spatial resolution of liquid flow by integrating an array of graphene-based magnetic (Hall) sensors that is used for tracking the movement of magnetic nanoparticles immersed in a liquid under investigation. With a novel device concept based on standard integration processes and experimentally verified material parameters, we numerically simulate the performance of a single sensor pixel, as well as the whole sensor array, for tracking magnetic nanoparticles having typical properties. The results demonstrate that the device enables (a) the detection of individual

  19. Fast fringe-field switching of a liquid crystal cell by two-dimensional confinement with virtual walls

    Science.gov (United States)

    Choi, Tae-Hoon; Oh, Seung-Won; Park, Young-Jin; Choi, Yeongyu; Yoon, Tae-Hoon

    2016-06-01

    We report a simple method for reducing the response time of a fringe-field switching liquid crystal cell by using two-dimensional confinement of the liquid crystals. Through both numerical calculations and experiments, we show that the switching speed can be increased by several fold in a fringe-field switching cell by simply using a rubbing angle of zero, which causes virtual walls to be built when an electric field is applied between the interdigitated electrodes and the common electrode, without requiring additional fabrication steps or complicated drive schemes. Furthermore, the devices fabricated with this method exhibit a reduced color shift and excellent dynamic stability, even with a high applied voltage and under external pressure.

  20. Cascades and spectra of a turbulent spinodal decomposition in two-dimensional symmetric binary liquid mixtures

    Science.gov (United States)

    Fan, Xiang; Diamond, P. H.; Chacón, L.; Li, Hui

    2016-09-01

    We study the fundamental physics of cascades and spectra in two-dimensional (2D) Cahn-Hilliard-Navier-Stokes (CHNS) turbulence, and compare and contrast this system with 2D magnetohydrodynamic (MHD) turbulence. The important similarities include basic equations, ideal quadratic invariants, cascades, and the role of linear elastic waves. Surface tension induces elasticity, and the balance between surface tension energy and turbulent kinetic energy determines a length scale (Hinze scale) of the system. The Hinze scale may be thought of as the scale of emergent critical balance between fluid straining and elastic restoring forces. The scales between the Hinze scale and dissipation scale constitute the elastic range of the 2D CHNS system. By direct numerical simulation, we find that in the elastic range, the mean square concentration spectrum Hkψ of the 2D CHNS system exhibits the same power law (-7 /3 ) as the mean square magnetic potential spectrum HkA in the inverse cascade regime of 2D MHD. This power law is consistent with an inverse cascade of Hψ, which is observed. The kinetic energy spectrum of the 2D CHNS system is EkK˜k-3 if forced at large scale, suggestive of the direct enstrophy cascade power law of 2D Navier-Stokes turbulence. The difference from the energy spectra of 2D MHD turbulence implies that the back reaction of the concentration field to fluid motion is limited. We suggest this is because the surface tension back reaction is significant only in the interfacial regions. The interfacial regions fill only a small portion of the 2D CHNS system, and their interface packing fraction is much smaller than that for 2D MHD.

  1. Observation of a roton collective mode in a two-dimensional Fermi liquid.

    Science.gov (United States)

    Godfrin, Henri; Meschke, Matthias; Lauter, Hans-Jochen; Sultan, Ahmad; Böhm, Helga M; Krotscheck, Eckhard; Panholzer, Martin

    2012-03-28

    Understanding the dynamics of correlated many-body quantum systems is a challenge for modern physics. Owing to the simplicity of their Hamiltonians, (4)He (bosons) and (3)He (fermions) have served as model systems for strongly interacting quantum fluids, with substantial efforts devoted to their understanding. An important milestone was the direct observation of the collective phonon-roton mode in liquid (4)He by neutron scattering, verifying Landau's prediction and his fruitful concept of elementary excitations. In a Fermi system, collective density fluctuations (known as 'zero-sound' in (3)He, and 'plasmons' in charged systems) and incoherent particle-hole excitations are observed. At small wavevectors and energies, both types of excitation are described by Landau's theory of Fermi liquids. At higher wavevectors, the collective mode enters the particle-hole band, where it is strongly damped. The dynamics of Fermi liquids at high wavevectors was thus believed to be essentially incoherent. Here we report inelastic neutron scattering measurements of a monolayer of liquid (3)He, observing a roton-like excitation. We find that the collective density mode reappears as a well defined excitation at momentum transfers larger than twice the Fermi momentum. We thus observe unexpected collective behaviour of a Fermi many-body system in the regime beyond the scope of Landau's theory. A satisfactory interpretation of the measured spectra is obtained using a dynamic many-body theory.

  2. Two-dimensional optical correlation spectroscopy applied to liquid/glass dynamics

    NARCIS (Netherlands)

    Lazonder, Kees; Pshenichnikov, Maxim S.; Wiersma, Douwe A.; Corkum, Paul; Jonas, David M.; Miller, R.J. Dwayne.; Weiner, Andrew M.

    2007-01-01

    Correlation spectroscopy was used to study the effects of temperature and phase changes on liquid and glass solvent dynamics. By assessing the eccentricity of the elliptic shape of a 2D optical correlation spectrum the value of the underlying frequency-frequency correlation function can be retrieved

  3. Two-dimensional optical correlation spectroscopy applied to liquid/glass dynamics

    NARCIS (Netherlands)

    Lazonder, Kees; Pshenichnikov, Maxim S.; Wiersma, Douwe A.

    2006-01-01

    Correlation spectroscopy was used to study the effects of temperature and phase changes on liquid and glass solvent dynamics. This method yielded both intuitive clues and a quantitative measure of the dynamics of the system. © 2006 Optical Society of America.

  4. Two dimensional, electronic particle tracking in liquids with a graphene-based magnetic sensor array.

    Science.gov (United States)

    Neumann, Rodrigo F; Engel, Michael; Steiner, Mathias

    2016-07-14

    The investigation and control of liquid flow at the nanometer scale is a key area of applied research with high relevance to physics, chemistry, and biology. We introduce a method and a device that allows the spatial resolution of liquid flow by integrating an array of graphene-based magnetic (Hall) sensors that is used for tracking the movement of magnetic nanoparticles immersed in a liquid under investigation. With a novel device concept based on standard integration processes and experimentally verified material parameters, we numerically simulate the performance of a single sensor pixel, as well as the whole sensor array, for tracking magnetic nanoparticles having typical properties. The results demonstrate that the device enables (a) the detection of individual nanoparticles in the liquid with high accuracy and (b) the reconstruction of a particle's flow-driven trajectory across the integrated sensor array with sub-pixel precision as a function of time, in what we call the "Magnetic nanoparticle velocimetry" technique. Since the method does not rely on optical detection, potential lab-on-chip applications include particle tracking and flow analysis in opaque media at the sub-micron scale.

  5. Two-Dimensional FTIR as a Tool to Study the Chemical Interactions within Cellulose-Ionic Liquid Solutions

    Directory of Open Access Journals (Sweden)

    Kalyani Kathirgamanathan

    2015-01-01

    Full Text Available In this study two-dimensional FTIR analysis was applied to understand the temperature effects on processing cellulose solutions in imidazolium-based ionic liquids. Analysis of the imidazolium ion νC2–H peak revealed hydrogen bonding within cellulose solutions to be dynamic on heating and cooling. The extent of hydrogen bonding was stronger on heating, consistent with greater ion mobility at higher temperature when the ionic liquid network structure is broken. At ambient temperatures a blue shifted νC2–H peak was indicative of greater cation-anion interactions, consistent with the ionic liquid network structure. Both cellulose and water further impact the extent of hydrogen bonding in these solutions. The FTIR spectral changes appeared gradual with temperature and contrast shear induced rheology changes which were observed on heating above 70°C and cooling below 40°C. The influence of cellulose on solution viscosity was not distinguished on initial heating as the ionic liquid network structure dominates rheology behaviour. On cooling, the quantity of cellulose has a greater influence on solution rheology. Outcomes suggest processing cellulose in ionic liquids above 40°C and to reduce the impacts of cation-anion effects and enhance solubilisation, processing should be done at 70°C.

  6. Two-Dimensional Metrology with Flatbed Scanners at Room and Liquid Nitrogen Temperatures

    Energy Technology Data Exchange (ETDEWEB)

    Grau Carles, A.; Grau Malonda, A. [CIEMAT. Madrid (Spain)

    2000-07-01

    We study the capability of the commercial flatbed scanner as a measuring instrument of two-coordinate sample both at room and liquid nitrogen temperatures. We describes simple procedure to calibrate the scanner, and the most adequate standard configuration to carry out the measurements. To illustrate the procedure, we measure the relative positions of the conductors in a cross-section of a superconducting magnet of CERN. (Author) 8 refs.

  7. High Speed Photographic Studies Of Liquid/Solid Impact And Cavity Collapse Using Two-Dimensional Gelatine Configurations

    Science.gov (United States)

    Dear, J. P.; Field, J. E.; Swallowe, G. M.

    1985-02-01

    The techniques described in this paper were developed during a study of high velocity liquid/solid impact. This form of impact is relevant to a number of technological problems such as the rain erosion of aircraft, the erosion of steam turbine blades, cavitation damage and the cleaning, cutting or fragmentation of materials using high velocity liquid jets. There are advantages in creating two-dimensional impact geometries since these enable processes occurring inside the impacted liquid mass and the onset of jetting to be studied in detail. Liquid wedge and drop geometries are produced by first casting water/gelatine sheets and then cutting out the required shapes. The impacting solid is a plate fired from a rectangular bore gas gun. The impact is viewed at high magnification using high speed photography at microsecond framing rates with an Imacon camera, and the shocks are visulised using Schlieren photography. The results give information on the shock structures produced, the "water hammer" and "edge" pressures and the critical conditions for jetting. The two-dimensional techniques have also been applied to studies of cavity collapse. In this case, a single cavity, or an array of cavities, is formed in the gelatine layer. An advantage of the technique is that the cavity size and spacing can be accurately controlled. It is well known that when a shock passes over a cavity, a jet is formed in the direction of the shock, by involution of the cavity surface. The impact of this jet onto a solid surface is an important feature of cavitation damage. In our experiments, we have also studied shocks passing over an array of cavities. Cavity collapse is also important as an ignition mechanism with explosives and as a source of "hot-spots" which aid the build-up to, and propagation of, fast reaction in explosives. However, there is still controversy about the relative importance of adiabatic heating of the gas in the cavity and shock heating when the jet impacts the far side

  8. d-wave superconductivity, antiferromagnetism and spin liquid in quasi-two-dimensional organic superconductors

    Directory of Open Access Journals (Sweden)

    P. Sahebsara

    2006-09-01

    Full Text Available   The self-energy-functional approach is a powerful many-body tool to investigate different broken symmetry phases of strongly correlated electron systems. We use the variational cluster perturbation theory (also called the variational cluster approximation to investigate the interplay between the antiferromagnetism and d-wave superconductivity of κ-(ET2 X conductors. These compounds are described by the so-called dimer Hubbard model, with various values of the on-site repulsion U and diagonal hopping amplitude t. At strong coupling, our zero-temperature calculations show a transition from Néel antiferromagnetism to a spin-liquid phase with no long range order, at around t ~ 0.9. At lower values of U, we find d-wave superconductivity. Taking into account the point group symmetries of the lattice, we find a transition between dx2-y2 and dxy pairing symmetries, the latter happening for smaller values of U.

  9. Two-Dimensional Wave Motion on the Charged Surface of a Viscous Liquid

    Institute of Scientific and Technical Information of China (English)

    LI Fang; YIN Xie-Yuan; YIN Xie-Zhen

    2008-01-01

    The wave motion on the charged surface of a viscous Newtonian liquid is solved as an initial-value problem. Both the leaky dielectric and perfect dielectric cases are considered. The amplitude of wave is assumed to be small. The electric field induced by surface charge is shown to have a generally destabilizing effect on surface wave. The neutral stability curve is drawn in the (G, N,e) plane (G: the gravitational bond number; Ne: the electrical Bond number). The Ohnesorge number, Taylor-Melcher number and permittivity ratio have little influence on the neutral stability curve. It is testified that the classical normal mode method cannot predict wave behaviour at small times.

  10. [Development of a droplet-interfaced high performance liquid chromatography-capillary electrophoresis two dimensional separation platform].

    Science.gov (United States)

    Ye, Linquan; Wu, Qingshi; Dai, Simin; Xiao, Zhiliang; Zhang, Bo

    2011-09-01

    Proteomics demands high resolution multidimensional separation techniques due to its extremely high complexity. Droplet microfluidics provides a series of unique advantages in manipulating micro and nanolitre samples, such as micro-volume operation, limited diffusion and none cross-contaminating, therefore has the potential to be an ideal interface strategy for multidimensional separation. Using the microchips of different structures, functions such as "droplet generation" and "oil depletion" can be realized. Based on these functions, samples can be transferred from continuous flow to segmented flow and then back to continuous flow. In this way, different separation modes can be combined. In this study, droplet technology was utilized as a novel interface strategy in combining high performance liquid chromatography (HPLC) and capillary electrophoresis (CE). Using tryptic peptides mixture as a sample, this two dimensional HPLC-CE system provided high resolution separation with a peak capacity over 3000. This proof-of-principle study has demonstrated the usefulness of droplet interface technology in multidimensional separation.

  11. Using the hydrophobic subtraction model to choose orthogonal columns for online comprehensive two-dimensional liquid chromatography

    DEFF Research Database (Denmark)

    Græsbøll, Rune; Nielsen, Nikoline Juul; Christensen, Jan H.

    2014-01-01

    A method for choosing orthogonal columns for a specific sample set in on-line comprehensive two-dimensional liquid chromatography (LC×LC) was developed on the basis of the hydrophobic subtraction model. The method takes into account the properties of the sample analytes by estimating new F...... by Gilroy et al. [1], (3) F-weights determined from the retention of sample analytes but using principal component analysis (PCA) for the estimation, and (4) the Gilroy F-weights modified by excluding the C-term in the hydrophobic subtraction model, as suggested by Dolan and Snyder [2]. The retention of 13...... neutral and 4 acidic oxygenated polycyclic aromatic compounds (PACs) and 3 nitrogen-containing PAC bases was measured isocratically on 12 columns. The isocratic runs were used to determine the hydrophobic subtraction model analyte parameters, and these were used to estimate new F-weights and predict...

  12. Unstable shear flows in two dimensional strongly correlated liquids - a hydrodynamic and molecular dynamics study

    Science.gov (United States)

    Gupta, Akanksha; Ganesh, Rajaraman; Joy, Ashwin

    2016-11-01

    In Navier-Stokes fluids, shear flows are known to become unstable leading to instability and eventually to turbulence. A class of flow namely, Kolmogorov Flows (K-Flows) exhibit such transition at low Reynolds number. Using fluid and molecular dynamics, we address the physics of transition from laminar to turbulent regime in strongly correlated-liquids such as in multi-species plasmas and also in naturally occurring plasmas with K-Flows as initial condition. A 2D phenomenological generalized hydrodynamic model is invoked wherein the effect of strong correlations is incorporated via a viscoelastic memory. To study the stability of K-Flows or in general any shear flow, a generalized eigenvalue solver has been developed along with a spectral solver for the full nonlinear set of fluid equations. A study of the linear and nonlinear features of K-Flow in incompressible and compressible limit exhibits cyclicity and nonlinear pattern formation in vorticity. A first principles based molecular dynamics simulation of particles interacting via Yukawa potential is performed with features such as configurational and kinetic thermostats for K-Flows. This work reveals several interesting similarities and differences between hydrodynamics and molecular dynamics studies.

  13. A novel two-dimensional liquid chromatographic system for the online toxicity prediction of pharmaceuticals and related substances

    Energy Technology Data Exchange (ETDEWEB)

    Li, Jian; Xu, Li [Tongji School of Pharmacy, Huazhong University of Science and Technology, Wuhan 430030 (China); Shi, Zhi-guo, E-mail: shizg@whu.edu.cn [Department of Chemistry, Wuhan University, Wuhan 430072 (China); Hu, Min [Hubei Instrument for Food and Drug Control, Wuhan (China)

    2015-08-15

    Highlights: • A novel two-dimensional liquid chromatographic system was developed. • The 1st dimension was ODS to separate components in the sample. • The 2nd dimension was biopartitioning micellar chromatography to predict toxicity. • The system was used to screen toxicity of pharmaceuticals and related substances. • It was promising for fast online toxicity screening of complex sample in one step. - Abstract: In this study, a novel two-dimensional liquid chromatographic (2D-LC) system was developed for simultaneous separation and toxicity prediction of pharmaceutical and its related substances. A conventional ODS column was used on the 1st-D to separate the sample; while, bio-partitioning micellar chromatography served as the 2nd-D to predict toxicity of the components. The established system was tested for the toxicity of ibuprofen and its impurities with known toxicity. With only one injection, ibuprofen and its impurities were separated on the 1st-D; and LC50 values of individual impurity were obtained based on the quantitative retention–activity relationships, which agreed well with the reported data. Furthermore, LC50 values of photolysis transformation products (TPs) of carprofen, ketoprofen and diclofenac acid (as unknown compounds) were screened in this 2D-LC system, which could be an indicator of the toxicity of these TPs and was meaningful for the environmental monitoring and drinking water treatment. The established 2D-LC system was cost-effective, time-saving and reliable, and was promising for fast online screening of toxicity of known and unknown analytes in the complex sample in a single step. It may find applications in environment, pharmaceutical and food, etc.

  14. Two-dimensional preparative liquid chromatography system for preparative separation of minor amount components from complicated natural products

    Energy Technology Data Exchange (ETDEWEB)

    Qiu, Ying-Kun, E-mail: qyk@xmu.edu.cn; Chen, Fang-Fang; Zhang, Ling-Ling; Yan, Xia; Chen, Lin; Fang, Mei-Juan; Wu, Zhen, E-mail: wuzhen@xmu.edu.cn

    2014-04-01

    Highlights: • Preparative MDLC system was developed for separation of complicated natural products. • Medium-pressure LC and preparative HPLC were connected by interface of SPE. • Automated multi-step preparative separation of 25 compounds was achieved by using this system. - Abstract: An on-line comprehensive two-dimensional preparative liquid chromatography system was developed for preparative separation of minor amount components from complicated natural products. Medium-pressure liquid chromatograph (MPLC) was applied as the first dimension and preparative HPLC as the second one, in conjunction with trapping column and makeup pump. The performance of the trapping column was evaluated, in terms of column size, dilution ratio and diameter-height ratio, as well as system pressure from the view of medium pressure liquid chromatograph. Satisfactory trapping efficiency can be achieved using a commercially available 15 mm × 30 mm i.d. ODS pre-column. The instrument operation and the performance of this MPLC × preparative HPLC system were illustrated by gram-scale isolation of crude macro-porous resin enriched water extract of Rheum hotaoense. Automated multi-step preparative separation of 25 compounds, whose structures were identified by MS, {sup 1}H NMR and even by less-sensitive {sup 13}C NMR, could be achieved in a short period of time using this system, exhibiting great advantages in analytical efficiency and sample treatment capacity compared with conventional methods.

  15. Phase diagram of a two-dimensional liquid in GaAs/AlxGa1-xAs biased double quantum wells

    DEFF Research Database (Denmark)

    Timofeev, V. B.; Larionov, A. V.; Alessi, M. G.;

    2000-01-01

    densities, P, and temperatures, T. For increasing P or decreasing T, a sharp transition from two gases of photoexcited electrons and holes, spatially separated and confined in the two wells, to two two-dimensional (2D) liquids has been observed. The gas-to-2D-liquid transition is evidenced by a strong...

  16. Comprehensive two-dimensional liquid chromatography with on-line Fourier-transform-infrared-spectroscopy detection for the characterization of copolymers

    NARCIS (Netherlands)

    Kok, S.J.; Hankemeier, T.; Schoenmakers, P.J.

    2005-01-01

    The on-line coupling of comprehensive two-dimensional liquid chromatography (liquid chromatography × size-exclusion chromatography, LC × SEC) and infrared (IR) spectroscopy has been realized by means of an IR flow cell. The system has been assessed by the functional-group analysis of a series of

  17. Comprehensive two-dimensional liquid chromatography with on-line Fourier-transform-infrared-spectroscopy detection for the characterization of copolymers

    NARCIS (Netherlands)

    Kok, S.J.; Hankemeier, T.; Schoenmakers, P.J.

    2005-01-01

    The on-line coupling of comprehensive two-dimensional liquid chromatography (liquid chromatography × size-exclusion chromatography, LC × SEC) and infrared (IR) spectroscopy has been realized by means of an IR flow cell. The system has been assessed by the functional-group analysis of a series of sty

  18. Purification of amide alkaloids from Piper longum L. using preparative two-dimensional normal-phase liquid chromatography × reversed-phase liquid chromatography.

    Science.gov (United States)

    Li, Kuiyong; Zhu, Wenya; Fu, Qing; Ke, Yanxiong; Jin, Yu; Liang, Xinmiao

    2013-06-07

    A comprehensive off-line two-dimensional liquid chromatography (2D-LC) method coupling normal phase liquid chromatography (NPLC) and reversed phase liquid chromatography (RPLC) was developed for separation and purification of amide alkaloids from Piper longum L. In the first dimension, the crude alkaloid fractions were separated in NPLC mode and 20 fractions were collected. Then fractions 5-20 were selected for further purification in RPLC mode in the second dimension. The purities of RPLC fractions with similar structures were all identified accurately by ultra performance liquid chromatography (UPLC). In total, 28 compounds with high purity were obtained and their structures were comprehensively characterized by electrospray ionization-mass spectrometry (ESI-MS) and nuclear magnetic resonance (NMR) spectroscopy. The results demonstrate that this 2D NPLC × RPLC method with good orthogonality (58.3%) was effective for the preparative separation and purification of amide alkaloids from Piper longum L.

  19. On-line parallel reversed phase two-dimensional liquid chromatography for high-throughput analysis of complex proteomic samples

    Institute of Scientific and Technical Information of China (English)

    WANG Zhicong; ZHANG Qinghe; LI Tong; ZHAO Zhongyi; ZHANG Weibing

    2006-01-01

    A comprehensive two-dimensional liquid chromatographic system (2D SCX/RP) is constructed with a 10-port-2-way valve using strong cation exchange chromatography (Hypersil SCX, 100 mm×4.6 mm I.D.) followed by reversed phase chromatography (Hypersil BDS C18, 15 mm×4.6 mm I.D.) to separate the complex peptides from globin peptic hydrolysate. After the sample was loaded on the SCX column, the phosphate buffer (pH 4.0) was used to elute the peptides. Then, elutes flowed through the interface and the peptides focused on the head of the trapping columns (Hypersil BDS C18, 15 mm×4.6 mm I.D.) but salt passed into the waste. After the valve was switched, the samples were flushed with a backward flow into the RP analytical column. The peptides on the SCX were eluted with 12 discontinuous steps linearly increasing salt concentrations. The peptides enriched on the trapping column were desalted and separated by the RP columns. The resolution and the resolved peaks of the 2D SCX/RP system were greatly increased and the total peak capacity reached as high as 2280.

  20. Lipidic ionic liquid stationary phases for the separation of aliphatic hydrocarbons by comprehensive two-dimensional gas chromatography.

    Science.gov (United States)

    Nan, He; Zhang, Cheng; O'Brien, Richard A; Benchea, Adela; Davis, James H; Anderson, Jared L

    2017-01-20

    Lipidic ionic liquids (ILs) possessing long alkyl chains as well as low melting points have the potential to provide unique selectivity as well as wide operating ranges when used as stationary phases in gas chromatography. In this study, a total of eleven lipidic ILs containing various structural features (i.e., double bonds, linear thioether chains, and cyclopropanyl groups) were examined as stationary phases in comprehensive two dimensional gas chromatography (GC×GC) for the separation of nonpolar analytes in kerosene. N-alkyl-N'-methyl-imidazolium-based ILs containing different alkyl side chains were used as model structures to investigate the effects of alkyl moieties with different structural features on the selectivities and operating temperature ranges of the IL-based stationary phases. Compared to a homologous series of ILs containing saturated side chains, lipidic ILs exhibit improved selectivity toward the aliphatic hydrocarbons in kerosene. The palmitoleyl IL provided the highest selectivity compared to all other lipidic ILs as well as the commercial SUPELCOWAX 10 column. The linoleyl IL containing two double bonds within the alkyl side chain showed the lowest chromatographic selectivity. The lipidic IL possessing a cyclopropanyl group within the alkyl moiety exhibited the highest thermal stability. The Abraham solvation parameter model was used to evaluate the solvation properties of the lipidic ILs. This study provides the first comprehensive examination into the relation between lipidic IL structure and the resulting solvation characteristics. Furthermore, these results establish a basis for applying lipidic ILs as stationary phases for solute specific separations in GC×GC.

  1. Two-dimensional liquid chromatography analysis of synthetic polymers using fast size exclusion chromatography at high column temperature.

    Science.gov (United States)

    Im, Kyuhyun; Park, Hae-Woong; Lee, Sekyung; Chang, Taihyun

    2009-05-22

    In recent years, two-dimensional liquid chromatography (2D-LC) has been used increasingly for the analysis of synthetic polymers. A 2D-LC analysis provides richer information than a single chromatography analysis at the cost of longer analysis time. The time required for a comprehensive 2D-LC analysis is essentially proportional to the analysis time of the second dimension separation. Many of 2D-LC analyses of synthetic polymers have employed size exclusion chromatography (SEC) for the second-dimension analysis due to the relatively short analysis time in addition to the wide use in the polymer analysis. Nonetheless, short SEC columns are often used for 2D-LC analyses to reduce the separation time, which inevitably deteriorates the resolution. In this study, we demonstrated that high temperature SEC can be employed as an efficient second-LC in the 2D-LC separation of synthetic polymers. By virtue of high temperature operation (low solvent viscosity and high diffusivity of the polymer molecules), a normal length SEC column can be used at high flow rate with little loss in resolution.

  2. Simultaneous achiral-chiral analysis of pharmaceutical compounds using two-dimensional reversed phase liquid chromatography-supercritical fluid chromatography.

    Science.gov (United States)

    Venkatramani, C J; Al-Sayah, Mohammad; Li, Guannan; Goel, Meenakshi; Girotti, James; Zang, Lisa; Wigman, Larry; Yehl, Peter; Chetwyn, Nik

    2016-02-01

    A new interface was designed to enable the coupling of reversed phase liquid chromatography (RPLC) and supercritical fluid chromatography (SFC). This online two-dimensional chromatographic system utilizing RPLC in the first dimension and SFC in the second was developed to achieve simultaneous achiral and chiral analysis of pharmaceutical compounds. The interface consists of an eight-port, dual-position switching valve with small volume C-18 trapping columns. The peaks of interest eluting from the first RPLC dimension column were effectively focused as sharp concentration pulses on small volume C-18 trapping column/s and then injected onto the second dimension SFC column. The first dimension RPLC separation provides the achiral purity result, and the second dimension SFC separation provides the chiral purity result (enantiomeric excess). The results are quantitative enabling simultaneous achiral, chiral analysis of compounds. The interface design and proof of concept demonstration are presented. Additionally, comparative studies to conventional SFC and case studies of the applications of 2D LC-SFC in pharmaceutical analysis is presented.

  3. On-line comprehensive two-dimensional normal-phase liquid chromatography×reversed-phase liquid chromatography for preparative isolation of toad venom.

    Science.gov (United States)

    Li, Jia-Fu; Fang, Hua; Yan, Xia; Chang, Fang-Rong; Wu, Zhen; Wu, Yun-Long; Qiu, Ying-Kun

    2016-07-22

    An on-line comprehensive preparative two-dimensional normal-phase liquid chromatography×reversed-phase liquid chromatography (2D NPLC×RPLC) system was constructed with a newly developed vacuum evaporation assisted adsorption (VEAA) interface, allowing fast removal of NPLC solvent in the vacuum condition and successfully solving the solvent incompatibility problem between NPLC and RPLC. The system achieved on-line solvent exchange within the two dimensions and its performance was illustrated by gram-scale isolation of crude extract from the venom of Bufo bufo gargarizans. Within separation time of ∼20h, 19 compounds were obtained with high purity in a single run. With the VEAA interface, the 2D system exhibited apparent advantages in separation efficiency and automation compared with conventional methods, indicating its promising application in the routine separation process for complicated natural products.

  4. Structure of the glass-forming metallic liquids by ab-initio and classical molecular dynamics, a case study: Quenching the Cu60Ti20Zr20 alloy

    Science.gov (United States)

    Amokrane, S.; Ayadim, A.; Levrel, L.

    2015-11-01

    We consider the question of the amorphization of metallic alloys by melt quenching, as predicted by molecular dynamics simulations with semi-empirical potentials. The parametrization of the potentials is discussed on the example of the ternary Cu-Ti-Zr transition metals alloy, using the ab-initio simulation as a reference. The pair structure in the amorphous state is computed from a potential of the Stillinger-Weber form. The transferability of the parameters during the quench is investigated using two parametrizations: from solid state data, as usual and from a new parametrization on the liquid structure. When the adjustment is made on the pair structure of the liquid, a satisfactory transferability is found between the pure components and their alloys. The liquid structure predicted in this way agrees well with experiment, in contrast with the one obtained using the adjustment on the solid. The final structure, after quenches down to the amorphous state, determined with the new set of parameters is shown to be very close to the ab-initio one, the latter being in excellent agreement with recent X-rays diffraction experiments. The corresponding critical temperature of the glass transition is estimated from the behavior of the heat capacity. Discussion on the consistency between the structures predicted using semi-empirical potentials and ab-initio simulation, and comparison of different experimental data underlines the question of the dependence of the final structure on the thermodynamic path followed to reach the amorphous state.

  5. Classification of cancer cell lines using an automated two-dimensional liquid mapping method with hierarchical clustering techniques.

    Science.gov (United States)

    Wang, Yanfei; Wu, Rong; Cho, Kathleen R; Shedden, Kerby A; Barder, Timothy J; Lubman, David M

    2006-01-01

    A two-dimensional liquid mapping method was used to map the protein expression of eight ovarian serous carcinoma cell lines and three immortalized ovarian surface epithelial cell lines. Maps were produced using pI as the separation parameter in the first dimension and hydrophobicity based upon reversed-phase HPLC separation in the second dimension. The method can be reproducibly used to produce protein expression maps over a pH range from 4.0 to 8.5. A dynamic programming method was used to correct for minor shifts in peaks during the HPLC gradient between sample runs. The resulting corrected maps can then be compared using hierarchical clustering to produce dendrograms indicating the relationship between different cell lines. It was found that several of the ovarian surface epithelial cell lines clustered together, whereas specific groups of serous carcinoma cell lines clustered with each other. Although there is limited information on the current biology of these cell lines, it was shown that the protein expression of certain cell lines is closely related to each other. Other cell lines, including one ovarian clear cell carcinoma cell line, two endometrioid carcinoma cell lines, and three breast epithelial cell lines, were also mapped for comparison to show that their protein profiles cluster differently than the serous samples and to study how they cluster relative to each other. In addition, comparisons can be made between proteins differentially expressed between cell lines that may serve as markers of ovarian serous carcinomas. The automation of the method allows reproducible comparison of many samples, and the use of differential analysis limits the number of proteins that might require further analysis by mass spectrometry techniques.

  6. Two-Dimensional Numerical Simulations of Ultrasound in Liquids with Gas Bubble Agglomerates: Examples of Bubbly-Liquid-Type Acoustic Metamaterials (BLAMMs).

    Science.gov (United States)

    Vanhille, Christian

    2017-01-17

    This work deals with a theoretical analysis about the possibility of using linear and nonlinear acoustic properties to modify ultrasound by adding gas bubbles of determined sizes in a liquid. We use a two-dimensional numerical model to evaluate the effect that one and several monodisperse bubble populations confined in restricted areas of a liquid have on ultrasound by calculating their nonlinear interaction. The filtering of an input ultrasonic pulse performed by a net of bubbly-liquid cells is analyzed. The generation of a low-frequency component from a single cell impinged by a two-frequency harmonic wave is also studied. These effects rely on the particular dispersive character of attenuation and nonlinearity of such bubbly fluids, which can be extremely high near bubble resonance. They allow us to observe how gas bubbles can change acoustic signals. Variations of the bubbly medium parameters induce alterations of the effects undergone by ultrasound. Results suggest that acoustic signals can be manipulated by bubbles. This capacity to achieve the modification and control of sound with oscillating gas bubbles introduces the concept of bubbly-liquid-based acoustic metamaterials (BLAMMs).

  7. Quantitation of triacylglycerols in edible oils by off-line comprehensive two-dimensional liquid chromatography-atmospheric pressure chemical ionization mass spectrometry using a single column.

    Science.gov (United States)

    Wei, Fang; Hu, Na; Lv, Xin; Dong, Xu-Yan; Chen, Hong

    2015-07-24

    In this investigation, off-line comprehensive two-dimensional liquid chromatography-atmospheric pressure chemical ionization mass spectrometry using a single column has been applied for the identification and quantification of triacylglycerols in edible oils. A novel mixed-mode phenyl-hexyl chromatographic column was employed in this off-line two-dimensional separation system. The phenyl-hexyl column combined the features of traditional C18 and silver-ion columns, which could provide hydrophobic interactions with triacylglycerols under acetonitrile conditions and can offer π-π interactions with triacylglycerols under methanol conditions. When compared with traditional off-line comprehensive two-dimensional liquid chromatography employing two different chromatographic columns (C18 and silver-ion column) and using elution solvents comprised of two phases (reversed-phase/normal-phase) for triacylglycerols separation, the novel off-line comprehensive two-dimensional liquid chromatography using a single column can be achieved by simply altering the mobile phase between acetonitrile and methanol, which exhibited a much higher selectivity for the separation of triacylglycerols with great efficiency and rapid speed. In addition, an approach based on the use of response factor with atmospheric pressure chemical ionization mass spectrometry has been developed for triacylglycerols quantification. Due to the differences between saturated and unsaturated acyl chains, the use of response factors significantly improves the quantitation of triacylglycerols. This two-dimensional liquid chromatography-mass spectrometry system was successfully applied for the profiling of triacylglycerols in soybean oils, peanut oils and lord oils. A total of 68 triacylglycerols including 40 triacylglycerols in soybean oils, 50 triacylglycerols in peanut oils and 44 triacylglycerols in lord oils have been identified and quantified. The liquid chromatography-mass spectrometry data were analyzed

  8. Comprehensive two-dimensional normal-phase liquid chromatography × reversed-phase liquid chromatography for analysis of toad skin.

    Science.gov (United States)

    Li, Jia-Fu; Yan, Xia; Wu, Yun-Long; Fang, Mei-Juan; Wu, Zhen; Qiu, Ying-Kun

    2017-04-15

    An analytical two-dimensional normal-phase liquid chromatography × reversed-phase liquid chromatography (2D NPLC × RPLC) system was constructed with a newly developed thermal evaporation assisted adsorption (TEAA) interface. This novel TEAA interface with heating temperature above solvent boiling point allowed fast removal of organic NPLC solvent and successfully solved the solvent incompatibility problem between NPLC and RPLC. The system achieved rapid on-line solvent exchange between the two dimensions within a short modulation time of 190 s and was applied in the analysis of an extract from the skin of Bufo bufo gargarizans. This is the first time to realize the on-line comprehensive analysis of a moderate polar natural product by coupling NPLC with reversed phase ultra-high performance liquid chromatography (UHPLC). To be highlighted, with the TEAA interface, the 2D NPLC × RPLC system provided excellent resolution and orthogonality (75.2%), when compared with that of 2D RPLC × RPLC.

  9. Communication: radial distribution functions in a two-dimensional binary colloidal hard sphere system.

    Science.gov (United States)

    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.

  10. Proteomic profiling of amniotic fluid in premature labor using two-dimensional liquid separation and mass spectrometry

    Science.gov (United States)

    Bujold, Emmanuel; Romero, Roberto; Kusanovic, Juan Pedro; Erez, Offer; Gotsch, Francesca; Chaiworapongsa, Tinnakorn; Gomez, Ricardo; Espinoza, Jimmy; Vaisbuch, Edi; Kim, Yeon Mee; Edwin, Samuel; Pisano, Mike; Allen, Beth; Podust, Vladimir N.; Dalmasso, Enrique A.; Rutherford, Jennifer; Rogers, Wade; Moser, Allan; Yoon, Bo Hyun; Barder, Tim

    2011-01-01

    Objective Simultaneous analysis of the protein composition of biological fluids is now possible. Such an approach can be used to identify biological markers of disease and to understand the pathophysiology of disorders that have eluded classification, diagnosis, and treatment. The purpose of this study was to analyze the differences in protein composition in amniotic fluid of patients in preterm labor. Study Design Amniotic fluid was obtained by amniocenteses from three groups of women with preterm labor and intact membranes: (1) women without intra-amniotic infection/inflammation (IAI) who delivered at term; (2) women without intra-amniotic IAI who delivered a preterm neonate; and (3) women with IAI. Intra-amniotic infection was defined as a positive amniotic fluid culture for microorganisms. Intra-amniotic inflammation was defined as an elevated amniotic fluid interleukin (IL)-6 (≥2.3 ng/mL). Two-dimensional (2D) chromatography was used for analysis. The first dimension separated proteins by isoelectric point, while the second, by the degree of hydrophobicity. 2D protein maps were generated using different experimental conditions (reducing agents as well as protein concentration). The maps were used to discern subsets of isoelectric point/hydrophobicity containing differentially expressed proteins. Protein identification of differentially expressed fractions was conducted with mass spectrometry. ELISA immunoassays as well as surface-enhanced laser desorption/ionization time-of-flight mass spectrometry (SELDI-TOF MS)--based on-chip antibody capture immunoassay were also used for confirmation of a specific protein that was differentially expressed. Results 1) Amniotic fluid protein composition can be analyzed using a combination of 2D liquid chromatography and mass spectrometry for the identification of proteins differentially expressed in patients in preterm labor; 2) While total insulin-like growth factor-binding protein-1 (IGFBP-1) concentration did not change

  11. Proteomic profiling of amniotic fluid in preterm labor using two-dimensional liquid separation and mass spectrometry.

    Science.gov (United States)

    Bujold, Emmanuel; Romero, Roberto; Kusanovic, Juan Pedro; Erez, Offer; Gotsch, Francesca; Chaiworapongsa, Tinnakorn; Gomez, Ricardo; Espinoza, Jimmy; Vaisbuch, Edi; Mee Kim, Yeon; Edwin, Samuel; Pisano, Mike; Allen, Beth; Podust, Vladimir N; Dalmasso, Enrique A; Rutherford, Jennifer; Rogers, Wade; Moser, Allan; Yoon, Bo Hyun; Barder, Tim

    2008-10-01

    Simultaneous analysis of the protein composition of biological fluids is now possible. Such an approach can be used to identify biological markers of disease and to understand the pathophysiology of disorders that have eluded classification, diagnosis, and treatment. The purpose of this study was to analyze the differences in protein composition of the amniotic fluid of patients in preterm labor. Amniotic fluid was obtained by amniocentesis from three groups of women with preterm labor and intact membranes: (1) women without intra-amniotic infection/inflammation (IAI) who delivered at term, (2) women without IAI who delivered a preterm neonate, and (3) women with IAI. Intra-amniotic infection was defined as a positive amniotic fluid culture for microorganisms. Intra-amniotic inflammation was defined as an elevated amniotic fluid interleukin (IL)-6 (> or =2.3 ng/mL). Two-dimensional (2D) chromatography was used for analysis. The first dimension separated proteins by isoelectric point, while the second, by the degree of hydrophobicity. 2D protein maps were generated using different experimental conditions (reducing agents as well as protein concentration). The maps were used to discern subsets of isoelectric point/hydrophobicity containing differentially expressed proteins. Protein identification of differentially expressed fractions was conducted with mass spectrometry. Enzyme-linked immunosorbent assays (ELISA) as well as surface-enhanced laser desorption/ionization time-of-flight mass spectrometry (SELDI-TOF MS)-based on-chip antibody capture immunoassays were also used for confirmation of a specific protein that was differentially expressed. (1) Amniotic fluid protein composition can be analyzed using a combination of 2D liquid chromatography and mass spectrometry for the identification of proteins differentially expressed in patients in preterm labor. (2) While total insulin-like growth factor-binding protein-1 (IGFBP-1) concentration did not change, IGFBP-1

  12. On-line comprehensive two-dimensional normal-phase liquid chromatography × reversed-phase liquid chromatography for preparative isolation of Peucedanum praeruptorum.

    Science.gov (United States)

    Wang, Xin-Yuan; Li, Jia-Fu; Jian, Ya-Mei; Wu, Zhen; Fang, Mei-Juan; Qiu, Ying-Kun

    2015-03-27

    A new on-line comprehensive preparative two-dimensional normal-phase liquid chromatography × reversed-phase liquid chromatography (2D NPLC × RPLC) system was developed for the separation of complicated natural products. It was based on the use of a silica gel packed medium-pressure column as the first dimension and an ODS preparative HPLC column as the second dimension. The two dimensions were connected with normal-phase (NP) and reversed-phase (RP) enrichment units, involving a newly developed airflow assisted adsorption (AAA) technique. The instrument operation and the performance of this NPLC × RPLC separation method were illustrated by gram-scale isolation of ethanol extract from the roots of Peucedanum praeruptorum. In total, 19 compounds with high purity were obtained via automated multi-step preparative separation in a short period of time using this system, and their structures were comprehensively characterized by ESI-MS, (1)H NMR, and (13)C NMR. Including two new compounds, five isomers in two groups with identical HPLC and TLC retention values were also obtained and identified by 1D NMR and 2D NMR. This is the first report of an NPLC × RPLC system successfully applied in an on-line preparative process. This system not only solved the interfacing problem of mobile-phase immiscibility caused by NP and RP separation, it also exhibited apparent advantages in separation efficiency and sample treatment capacity compared with conventional methods.

  13. Two-dimensional liquid chromatography (LC) of phenolic compounds from the shoots of Rubus idaeus 'Glen Ample' cultivar variety.

    Science.gov (United States)

    Kula, Marta; Głód, Daniel; Krauze-Baranowska, Mirosława

    2016-03-20

    In this study the application of two-dimensional LC (2D LC) for qualitative analysis of polyphenols and simple phenols in the shoots of Rubus idaeus 'Glen Ample' variety is presented. In the preliminary analysis, the methanol extract of the shoots was analyzed by one-dimensional LC. One-dimensional LC separation profiles of phenolics from R. idaeus 'Glen Ample' shoots were dependent on column type, mobile phase composition and gradient program used. Two-dimensional LC system was built from connecting an octadecyl C-18 silica column in the first dimension and pentafluorophenyl column in the second dimension, coupled with DAD and MS (ESI, APCI, DUIS ionization) detectors. A total of 34 phenolic compounds belonging to the groups of phenolic acids, ellagitannins, flavan-3-ols, flavonols and ellagic acid conjugates were identified in the shoots of R. idaeus 'Glen Ample'. The established 2D LC method offers an effective tool for analysis of phenolics present in Rubus species.

  14. Comprehensive two-dimensional liquid chromatography with ultraviolet, evaporative light scattering and mass spectrometric detection of triacylglycerols in corn oil

    NARCIS (Netherlands)

    Klift, van der E.J.C.; Vivó-Truyols, G.; Claassen, F.W.; Holthoon, van F.L.; Beek, van T.A.

    2008-01-01

    An improved comprehensive two-dimensional (LC × LC) HPLC system for the analysis of triacylglycerols was developed. In the first-dimension, a Ag(I)-coated cation exchanger (250 mm × 2.1 mm, 5 ¿m) was employed with a gradient from 100% MeOH to 6% MeCN in MeOH at 20 ¿L/min. Using a 10-way valve with t

  15. Two-dimensional liquid chromatography coupled to tandem mass spectrometry for vitamin D metabolite profiling including the C3-epimer-25-monohydroxyvitamin D3.

    Science.gov (United States)

    Mena-Bravo, A; Priego-Capote, F; Luque de Castro, M D

    2016-06-17

    A method based on automated on-line solid phase extraction coupled to two-dimensional liquid chromatography with tandem mass spectrometry detection (SPE-2DLC-MS/MS) is here reported for vitamin D metabolite profiling in human serum with absolute quantitation. Two-dimensional LC was configured with two complementary analytical columns, pentafluorophenyl (PFP) and C18 phases, for determination of 25 hydroxyvitamin D3 epimers and the resting bioactive metabolites of vitamin D (D3 and D2)-25-hydroxyvitamin D2, 1,25-dihydroxyvitamin D3, 1,25-dihydroxyvitamin D2 and 24,25-dihydroxyvitamin D3. Quantitative determination was supported on the use of a stable isotopic labelled internal standard for each analyte and the resulting method was validated by analysis of a standard reference material certified by the National Institute of Standards & Technology (NIST-972a) and 5 samples provided by the vitamin D External Quality Assurance Scheme (DEQAS). The limits of detection were between 9 and 90pg/mL for the eight analytes, and precision, expressed as relative standard deviation, was lower than 11.6%. Two-dimensional LC has shown to be the key to discriminate between 25 hydroxyvitamin D3 epimers in a quantitative analysis also involving dihydroxyvitamin D metabolites.

  16. Development of molecular imprinted column-on line-two dimensional liquid chromatography for selective determination of clenbuterol residues in biological samples.

    Science.gov (United States)

    Guo, Pengqi; Luo, Zhimin; Xu, Xinya; Zhou, Yulan; Zhang, Bilin; Chang, Ruimiao; Du, Wei; Chang, Chun; Fu, Qiang

    2017-02-15

    A novel method coupling molecular imprinted monolithic column with two-dimensional liquid chromatography was developed and validated for the analysis of clenbuterol in pork liver and swine urine samples. The polymers were characterized by using Fourier transform infrared spectroscopy, nitrogen adsorption desorption analyses, frontal analysis and the adsorption of selectivity. The results indicated that the imprinted columns were well prepared and possessed high selectivity adsorption capacity. Subsequently, the MIMC-2D-LC (molecular imprinted monolithic column-two dimensional liquid chromatography) method was developed for the selective analysis of clenbuterol in practical samples. The accuracy ranged from 94.3% to 99.7% and from 93.7% to 99.6% for liver and urine, respectively. The relative standard deviation (RSD) of repeatability was lower than 8.6% for both analyses. The limit of detections was 16ng·mL(-1) for liver and 25ng·mL(-1) for urine, respectively. Compared with the reported methods, the disturbance of endogenous impurity could be avoided by the 2D-LC method.

  17. In Silico Modeling of Hundred Thousand Experiments for Effective Selection of Ionic Liquid Phase Combinations in Comprehensive Two-Dimensional Gas Chromatography.

    Science.gov (United States)

    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.

  18. Quantitative characterization of solid epoxy resins using comprehensive two dimensional liquid chromatography coupled with electrospray ionization-time of flight mass spectrometry.

    Science.gov (United States)

    Julka, Samir; Cortes, Hernan; Harfmann, Robert; Bell, Bruce; Schweizer-Theobaldt, Andreas; Pursch, Matthias; Mondello, Luigi; Maynard, Shawn; West, David

    2009-06-01

    A comprehensive multidimensional liquid chromatography system coupled to Electrospray Ionization-Mass Spectrometry (LCxLC-ESI-MS) was developed for detailed characterization and quantitation of solid epoxy resin components. The two orthogonal modes of separation selected were size exclusion chromatography (SEC) in the first dimension and liquid chromatography at critical conditions (LCCC) in the second dimension. Different components present in the solid epoxy resins were separated and quantitated for the first time based on the functional groups and molecular weight heterogeneity. Coupling LCxLC separations with mass spectrometry enabled the identification of components resolved in the two-dimensional space. Several different functional group families of compounds were separated and identified, including epoxy-epoxy and epoxy-alpha-glycol functional oligomers, and their individual molecular weight ranges were determined. Repeatability obtained ranged from 0.5% for the main product to 21% for oligomers at the 0.4% concentration level.

  19. Mid-Infrared Pulse Shaping and Two-Dimensional Spectroscopy of Open Quantum Systems in Liquid Solution

    Science.gov (United States)

    Ross, Matthew R.

    The primary focus of this work is the development of a mid-infrared pulse shaping system. The primary motivation for this system is for two-dimensional infrared (2DIR) spectroscopy, however, the mid-infrared pulse shaper also allows for more sophisticated spectroscopic experiments not previously attempted in the mid-infrared. Moreover, many can be implemented without changes or realignment of the optical setup. Example spectra are presented along with a discussion of capabilities and diagnostics. A second major project presented is 2DIR spectroscopy of iron pentacarbonyl, Fe(CO)5, a small metal carbonyl. This molecule undergoes Berry pseudorotation, a form of fluxtionality. This fast exchange of ligands mixes axial and equatorial modes and occurs on a timescale of picoseconds, too fast for NMR and other methods of measuring chemical structure and isomerization. Ultrafast chemical exchange spectroscopy, a measurement within 2DIR spectroscopy, is capable of resolving the time scales of this motion. We found that this process is affected by the solvent environment, specifically the solvent viscosity in alkanes and hydrogen bonding environments in alcohols. Lastly, a study is presented in which a series of synthetic metalloenzymes with a metal active site are studied by 2DIR spectroscopy. In this case a carbonyl is ligated to a copper-I atom in the active site, which then serves as our spectroscopic probe. We find, unexpectedly, that the shape of the carbonyl vibrational potential, as measured by the anharmonicity, is time-dependent. We attribute this to a geometrical rearrangement and are able to suggest that this effect is dependent on local site structure and dynamics and not significantly affected by electric potential near the peptide.

  20. Glass forming ability of calcium aluminosilicate melts

    DEFF Research Database (Denmark)

    Moesgaard, Mette; Yue, Yuanzheng

    2011-01-01

    The glass forming ability (GFA) of two series of calcium aluminosilicate melts is studied by measuring their viscous behavior and crystallization tendency. The first series consists of five compositions on the joining line between the eutectic point of anorthite-wollastonite-tridymite and that of...

  1. Heat transfer in the flow of a cold, two-dimensional vertical liquid jet against a hot, horizontal plate

    CERN Document Server

    Shu, Jian-Jun

    2014-01-01

    A cold, thin film of liquid impinging on an isothermal hot, horizontal surface has been investigated. An approximate solution for the velocity and temperature distributions in the flow along the horizontal surface is developed, which exploits the hydrodynamic similarity solution for thin film flow. The approximate solution may provide a valuable basis for assessing flow and heat transfer in more complex settings.

  2. Non-invasive Transdermal Two-dimensional Mapping of Cutaneous Oxygenation with Rapid-drying Liquid Bandage

    Science.gov (United States)

    2014-10-01

    porphyrin protein scaffolds for sensing O2.,” J. Am. Chem. Soc. 132(16), 5582–5583 (2010). 19. C. Wu, B. Bull, K. Christensen, and J. McNeill...transparent, polymeric liquid bandage material, the sensor #217203 - $15.00 USD Received 22 Jul 2014; revised 5 Sep 2014; accepted 5 Sep 2014; published 1

  3. New on-line separation workflow of microbial metabolites via hyphenation of analytical and preparative comprehensive two-dimensional liquid chromatography.

    Science.gov (United States)

    Yan, Xia; Wang, Li-Juan; Wu, Zhen; Wu, Yun-Long; Liu, Xiu-Xiu; Chang, Fang-Rong; Fang, Mei-Juan; Qiu, Ying-Kun

    2016-10-15

    Microbial metabolites represent an important source of bioactive natural products, but always exhibit diverse of chemical structures or complicated chemical composition with low active ingredients content. Traditional separation methods rely mainly on off-line combination of open-column chromatography and preparative high performance liquid chromatography (HPLC). However, the multi-step and prolonged separation procedure might lead to exposure to oxygen and structural transformation of metabolites. In the present work, a new two-dimensional separation workflow for fast isolation and analysis of microbial metabolites from Chaetomium globosum SNSHI-5, a cytotoxic fungus derived from extreme environment. The advantage of this analytical comprehensive two-dimensional liquid chromatography (2D-LC) lies on its ability to analyze the composition of the metabolites, and to optimize the separation conditions for the preparative 2D-LC. Furthermore, gram scale preparative 2D-LC separation of the crude fungus extract could be performed on a medium-pressure liquid chromatograph×preparative high-performance liquid chromatography system, under the optimized condition. Interestingly, 12 cytochalasan derivatives, including two new compounds named cytoglobosin Ab (3) and isochaetoglobosin Db (8), were successfully obtained with high purity in a short period of time. The structures of the isolated metabolites were comprehensively characterized by HR ESI-MS and NMR. To be highlighted, this is the first report on the combination of analytical and preparative 2D-LC for the separation of microbial metabolites. The new workflow exhibited apparent advantages in separation efficiency and sample treatment capacity compared with conventional methods.

  4. Computational aspects of the smectization process in liquid crystals: An example study of a perfectly aligned two-dimensional hard-boomerang system

    Science.gov (United States)

    Chrzanowska, Agnieszka

    2017-06-01

    A replica method for calculation of smectic liquid crystal properties within the Onsager theory has been presented and applied to an exemplary case of two-dimensional perfectly aligned needlelike boomerangs. The method allows one to consider the complete influence of the interaction terms in contrast to the Fourier expansion method which uses mostly first or second order terms of expansion. The program based on the replica algorithm is able to calculate a single representative layer as an equivalent set of layers, depending on the size of the considered width of the sample integration interval. It predicts successfully smectic density distributions, energies, and layer thicknesses for different types of layer arrangement—of the antiferroelectric or of the smectic A order type. Specific features of the algorithm performance and influence of the numerical accuracy on the physical properties are presented. Future applications of the replica method to freely rotating molecules are discussed.

  5. Two-dimensional liquid chromatography technique coupled with mass spectrometry analysis to compare the proteomic response to cadmium stress in plants.

    Science.gov (United States)

    Visioli, Giovanna; Marmiroli, Marta; Marmiroli, Nelson

    2010-01-01

    Plants are useful in studies of metal toxicity, because their physiological responses to different metals are correlated with the metal exposure dose and chemical state. Moreover a network of proteins and biochemical cascades that may lead to a controlled homeostasis of metals has been identified in many plant species. This paper focuses on the global protein variations that occur in a Populus nigra spp. clone (Poli) that has an exceptional tolerance to the presence of cadmium. Protein separation was based on a two-dimensional liquid chromatography technique. A subset of 20 out of 126 peaks were identified as being regulated differently under cadmium stress and were fingerprinted by MALDI-TOF. Proteins that were more abundant in the treated samples were located in the chloroplast and in the mitochondrion, suggesting the importance of these organelles in the response and adaptation to metal stress.

  6. Two-Dimensional Liquid Chromatography Technique Coupled with Mass Spectrometry Analysis to Compare the Proteomic Response to Cadmium Stress in Plants

    Directory of Open Access Journals (Sweden)

    Giovanna Visioli

    2010-01-01

    Full Text Available Plants are useful in studies of metal toxicity, because their physiological responses to different metals are correlated with the metal exposure dose and chemical state. Moreover a network of proteins and biochemical cascades that may lead to a controlled homeostasis of metals has been identified in many plant species. This paper focuses on the global protein variations that occur in a Populus nigra spp. clone (Poli that has an exceptional tolerance to the presence of cadmium. Protein separation was based on a two-dimensional liquid chromatography technique. A subset of 20 out of 126 peaks were identified as being regulated differently under cadmium stress and were fingerprinted by MALDI-TOF. Proteins that were more abundant in the treated samples were located in the chloroplast and in the mitochondrion, suggesting the importance of these organelles in the response and adaptation to metal stress.

  7. Detailed analysis of petroleum hydrocarbon attenuation in biopiles by high-performance liquid chromatography followed by comprehensive two-dimensional gas chromatography.

    Science.gov (United States)

    Mao, Debin; Lookman, Richard; Van De Weghe, Hendrik; Van Look, Dirk; Vanermen, Guido; De Brucker, Nicole; Diels, Ludo

    2009-02-27

    Enhanced bioremediation of petroleum hydrocarbons in two biopiles was quantified by high-performance liquid chromatography (HPLC) followed by comprehensive two-dimensional gas chromatography (GCXGC). The attenuation of 34 defined hydrocarbon classes was calculated by HPLC-GCXGC analysis of representative biopile samples at start-up and after 18 weeks of biopile operation. In general, a-cyclic alkanes were most efficiently removed from the biopiles, followed by monoaromatic hydrocarbons. Cycloalkanes and polycyclic aromatic hydrocarbons (PAHs) were more resistant to degradation. A-cyclic biomarkers farnesane, trimethyl-C13, norpristane, pristane and phytane dropped to only about 10% of their initial concentrations. On the other hand, C29-C31 hopane concentrations remained almost unaltered after 18 weeks of biopile operation, confirming their resistance to biodegradation. They are thus reliable indicators to estimate attenuation potential of petroleum hydrocarbons in biopile processed soils.

  8. Possibility of a two-dimensional spin liquid in CePdAl induced by partial geometric frustration?

    Energy Technology Data Exchange (ETDEWEB)

    Fritsch, V. [Universitaet Augsburg, Institut fuer Physik, Experimentalphysik VI (Germany); Karlsruher Institut fuer Technologie (Germany); Grube, K.; Kittler, W.; Taubenheim, C.; Loehneysen, H. von [Karlsruher Institut fuer Technologie (Germany); Huesges, Z.; Lucas, S.; Stockert, O. [Max-Planck-Institut fuer chemische Physik fester Stoffe, Dresden (Germany); Green, E. [Hochfeldzentrum Dresden-Rossendorf (Germany)

    2015-07-01

    CePdAl crystallizes in the hexagonal ZrNiAl structure, where the magnetic ions form a distorted kagome lattice. At T{sub N} = 2.7 K the onset of antiferromagnetic (AF) order is observed. Neutron scattering experiments revealed a partial frustration in the distorted kagome planes of this structure: two-thirds of the Ce moments form ferromagnetic chains, which are antiferromagnetically coupled, the remaining third do not participate in any long-range order. Along the c-axis the magnetic moments exhibit an amplitude modulation. Accordingly, the kagome planes are stacked on top of each other, resulting in corrugated AF planes parallel to the c-axis formed by the ordered magnetic moments, which are separated by the frustrated moments. It is an intriguing and yet unresolved question if this third of frustrated moments forms a spin liquid state in CePdAl. Based on measurements of specific heat, thermal expansion, magnetization and electrical resistivity we want to discuss this possibility.

  9. Proteomic analysis of prolactinoma cells by immuno-laser capture microdissection combined with online two-dimensional nano-scale liquid chromatography/mass spectrometry

    Directory of Open Access Journals (Sweden)

    Chen Luping

    2010-01-01

    Full Text Available Abstract Background Pituitary adenomas, the third most common intracranial tumor, comprise nearly 16.7% of intracranial neoplasm and 25%-44% of pituitary adenomas are prolactinomas. Prolactinoma represents a complex heterogeneous mixture of cells including prolactin (PRL, endothelial cells, fibroblasts, and other stromal cells, making it difficult to dissect the molecular and cellular mechanisms of prolactin cells in pituitary tumorigenesis through high-throughout-omics analysis. Our newly developed immuno-laser capture microdissection (LCM method would permit rapid and reliable procurement of prolactin cells from this heterogeneous tissue. Thus, prolactin cell specific molecular events involved in pituitary tumorigenesis and cell signaling can be approached by proteomic analysis. Results Proteins from immuno-LCM captured prolactin cells were digested; resulting peptides were separated by two dimensional-nanoscale liquid chromatography (2D-nanoLC/MS and characterized by tandem mass spectrometry. All MS/MS spectrums were analyzed by SEQUEST against the human International Protein Index database and a specific prolactinoma proteome consisting of 2243 proteins was identified. This collection of identified proteins by far represents the largest and the most comprehensive database of proteome for prolactinoma. Category analysis of the proteome revealed a widely unbiased access to various proteins with diverse functional characteristics. Conclusions This manuscript described a more comprehensive proteomic profile of prolactinomas compared to other previous published reports. Thanks to the application of immuno-LCM combined with online two-dimensional nano-scale liquid chromatography here permitted identification of more proteins and, to our best knowledge, generated the largest prolactinoma proteome. This enlarged proteome would contribute significantly to further understanding of prolactinoma tumorigenesis which is crucial to the management of

  10. Rapid determination of six carcinogenic primary aromatic amines in mainstream cigarette smoke by two-dimensional online solid phase extraction combined with liquid chromatography tandem mass spectrometry.

    Science.gov (United States)

    Bie, Zhenying; Lu, Wei; Zhu, You; Chen, Yusong; Ren, Hubo; Ji, Lishun

    2017-01-27

    A fully automated, rapid, and reliable method for simultaneous determination of six carcinogenic primary aromatic amines (AAs), including o-toluidine (o-TOL), 2, 6-dimethylaniline (2, 6-DMA), o-anisidine (o-ASD), 1-naphthylamine (1-ANP), 2-naphthylamine (2-ANP), and 4-aminobiphenyl (4-ABP), in mainstream cigarette smoke was established. The proposed method was based on two-dimensional online solid phase extraction combined with liquid chromatography tandem mass spectrometry (SPE/LC-MS/MS). The particulate phase of the mainstream cigarette smoke was collected on a Cambridge filter pad and pretreated via ultrasonic extraction with 2% formic acid (FA), while the gas phase was trapped by 2% FA without pretreatment for determination. The two-dimensional online SPE comprised of two cartridges with different absorption characteristics was applied for sample pretreatment. Analysis was performed by liquid chromatography coupled with tandem mass spectrometry (LC-MS/MS) under multiple reaction monitoring mode. Each sample required about 0.5h for solid phase extraction and analysis. The limit of detections (LODs) for six AAs ranged from 0.04 to 0.58ng/cig and recoveries were within 84.5%-122.9%. The relative standard deviations of intra- and inter-day tests for 3R4F reference cigarette were less than 6% and 7%, respectively, while no more than 7% and 8% separately for a type of Virginia cigarette. The proposed method enabled minimum sample pretreatment, full automation, and high throughput with high selectivity, sensitivity, and accuracy. As a part of the validation procedure, fifteen brands of cigarettes were tested by the designed method. Copyright © 2016 Elsevier B.V. All rights reserved.

  11. Purification of saponins from leaves of Panax notoginseng using preparative two-dimensional reversed-phase liquid chromatography/hydrophilic interaction chromatography.

    Science.gov (United States)

    Guo, Xiujie; Zhang, Xiuli; Feng, Jiatao; Guo, Zhimou; Xiao, Yuansheng; Liang, Xinmiao

    2013-04-01

    Saponins are widely distributed in the plant kingdom and have been shown to be active components of many medicinal herbs. In this study, a two-dimensional purification method based on reversed-phase liquid chromatography coupled with hydrophilic interaction liquid chromatography was successfully applied to purify saponins from leaves of Panax notoginseng. Nine saponin reference standards were used to test the separation modes and columns. The standards could not be resolved using C18 columns owing to their limited polar selectivity. However, they were completely separated on a XAmide column in hydrophilic interaction liquid chromatography mode, including two pairs of standards that were coeluted on a C18 column. The elution order of the standards on the two columns was sufficiently different, with a correlation coefficient between retention times on the C18 and XAmide columns of 0.0126, indicating good column orthogonality. Therefore, the first-dimension preparation was performed on a C18 column, followed by a XAmide column that was used to separate the fractions in the second dimension. Fifty-four fractions were prepared in the first dimension, with 25 fractions rich in saponins. Eight saponins, including two pairs of isomeric saponins and one new saponin, were isolated and identified from three representative fractions. This procedure was shown to be an effective approach for the preparative isolation and purification of saponins from leaves of P. notoginseng. Moreover, this method could possibly be employed in the purification of low-content and novel active saponins from natural products.

  12. Characterization of synthetic dyes by comprehensive two-dimensional liquid chromatography combining ion-exchange chromatography and fast ion-pair reversed-phase chromatography.

    Science.gov (United States)

    Pirok, Bob W J; Knip, Jitske; van Bommel, Maarten R; Schoenmakers, Peter J

    2016-03-04

    In the late 19th century, newly invented synthetic dyes rapidly replaced the natural dyes on the market. The characterization of mixtures of these so-called early synthetic dyes is complicated through the occurrence of many impurities and degradation products. Conventional one-dimensional liquid chromatography does not suffice to obtain fingerprints with sufficient resolution and baseline integrity. Comprehensive two-dimensional liquid chromatography (LC×LC) is employed in this study, with ion-exchange chromatography in the first dimension and fast ion-pair liquid chromatography in the second. Retention in the first dimension is largely determined by the number of charges, while the selection of a small ion-pair reagent (tetramethylammonium hydroxide) in the second dimension causes retention to be largely determined by the molecular structure of the dye. As a result, there is a high degree of orthogonality of the two dimensions, similar to the values typically encountered in GC×GC. The proposed LC×LC method shows a theroretical peak capacity of about 2000 in an analysis time of about three hours. Clear, informative fingerprints are obtained that open a way to a more efficient characterization of dyes used in objects of cultural heritage.

  13. Application of fractionized sampling and stacking for construction of an interface for online heart-cutting two-dimensional liquid chromatography.

    Science.gov (United States)

    Ji, Baocheng; Xia, Bing; Liu, Jie; Gao, Yuanji; Ding, Lisheng; Zhou, Yan

    2016-09-30

    In this study, an efficient interface, based on a fractionized sampling and stacking (FSS) strategy, was developed for online heart-cutting two-dimensional liquid chromatography (2D LC). This interface consisted of a two-position 4-port valve, a two-position 6-port valve and a two-position 10-port valve equipped with two 450-μL stainless steel loops. Hydrophilic interaction chromatography (HILIC) and reversed phase liquid chromatography (RP LC) were used in the first and second dimensions, respectively. The peak compression efficiency of this interface was investigated by analysis of ten standards. Good peak shapes of the ten standards were observed when the dilution ratio was over five and the co-eluate plug volume was less than 10μL. The 2D LC system was further applied to analysis of a crude extract of Panax ginseng leaves. Seventeen major constituents in the extract were monitored, which could not be well separated by one-dimensional (1D) HILIC or RP LC method in a long separation gradient. The FSS interface successfully achieved the efficient combination of HILIC and RP LC, and the 17 constituents in ginseng extract got well separated under the optimized conditions. The FSS interface has shown great potential for 2D LC analysis of complex natural product samples.

  14. Breakdown of Fermi liquid behavior near the hot spots in a two-dimensional model: A two-loop renormalization group analysis

    Energy Technology Data Exchange (ETDEWEB)

    Carvalho, Vanuildo S. de [Instituto de Física, Universidade Federal de Goiás, 74.001-970 Goiânia, GO (Brazil); Freire, Hermann, E-mail: hfreire@mit.edu [Instituto de Física, Universidade Federal de Goiás, 74.001-970 Goiânia, GO (Brazil); Department of Physics, Massachusetts Institute of Technology, Cambridge, MA 02139 (United States)

    2013-10-21

    Motivated by a recent experimental observation of a nodal liquid on both single crystals and thin films of Bi{sub 2}Sr{sub 2}CaCu{sub 2}O{sub 8+} {sub δ} by Chatterjee et al. [Nature Phys. 6 (2010) 99], we perform a field-theoretical renormalization group (RG) analysis of a two-dimensional model such that only eight points located near the “hot spots” on the Fermi surface are retained, which are directly connected by spin density wave ordering wavevector. We derive RG equations up to two-loop order describing the flow of renormalized couplings, quasiparticle weight, several order-parameter response functions, and uniform spin and charge susceptibilities of the model. We find that while the order-parameter susceptibilities investigated here become non-divergent at two loops, the quasiparticle weight vanishes in the low-energy limit, indicating a breakdown of Fermi liquid behavior at this RG level. Moreover, both uniform spin and charge susceptibilities become suppressed in the scaling limit which indicate gap openings in both spin and charge excitation spectra of the model.

  15. A two-dimensional liquid-filled ionization chamber array prototype for small-field verification: characterization and first clinical tests.

    Science.gov (United States)

    Brualla-González, Luis; Gómez, Faustino; Vicedo, Aurora; González-Castaño, Diego M; Gago-Arias, Araceli; Pazos, Antonio; Zapata, Martín; Roselló, Joan V; Pardo-Montero, Juan

    2012-08-21

    In this work we present the design, characterization and first clinical tests of an in-house developed two-dimensional liquid-filled ionization chamber prototype for the verification of small radiotherapy fields and treatments containing such small fields as in radiosurgery, which consists of 2 mm × 2 mm pixels arranged on a 16×8 rectangular grid. The ionization medium is isooctane. The characterization of the device included the study of depth, field-size and dose-rate dependences, which are sufficiently moderate for a good operation at therapy radiation levels. However, the detector presents an important anisotropic response, up to ≃ 12% for front versus near-lateral incidence, which can impact the verification of full treatments with different incidences. In such a case, an anisotropy correction factor can be applied. Output factors of small square fields measured with the device show a small systematic over-response, less than 1%, when compared to unshielded diode measurements. An IMRT radiosurgery treatment has been acquired with the liquid-filled ionization chamber device and compared with film dosimetry by using the gamma method, showing good agreement: over 99% passing rates for 1.2% and 1.2 mm for an incidence-per-incidence analysis; 100% passing rates for tolerances 1.8% and 1.8 mm when the whole treatment is analysed and the anisotropy correction factor is applied. The point dose verification for each incidence of the treatment performed with the liquid-filled ionization chamber agrees within 1% with a CC01 ionization chamber. This prototype has shown the utility of this kind of technology for the verification of small fields/treatments. Currently, a larger device covering a 5 cm × 5 cm area is under development.

  16. Towards early detection of the hydrolytic degradation of poly(bisphenol A)carbonate by hyphenated liquid chromatography and comprehensive two-dimensional liquid chromatography

    NARCIS (Netherlands)

    Coulier, L.; Kaal, E.R.; Hankemeier, Th.

    2006-01-01

    The hydrolytic degradation of poly(bisphenol A)carbonate (PC) has been characterized by various liquid chromatography techniques. Size exclusion chromatography (SEC) showed a significant decrease in molecular mass as a result of hydrolytic degradation, while 'liquid chromatography at critical

  17. Towards early detection of the hydrolytic degradation of poly(bisphenol A)carbonate by hyphenated liquid chromatography and comprehensive two-dimensional liquid chromatography

    NARCIS (Netherlands)

    Coulier, L.; Kaal, E.R.; Hankemeier, Th.

    2006-01-01

    The hydrolytic degradation of poly(bisphenol A)carbonate (PC) has been characterized by various liquid chromatography techniques. Size exclusion chromatography (SEC) showed a significant decrease in molecular mass as a result of hydrolytic degradation, while 'liquid chromatography at critical condit

  18. Peak purity assessment in a triple-active fixed-dose combination drug product related substances method using a commercial two-dimensional liquid chromatography system.

    Science.gov (United States)

    Shackman, Jonathan G; Kleintop, Brent L

    2014-10-01

    Pharmaceutical formulations containing multiple active components challenge the development of analytical methods, especially as the individual active ingredients diverge in their physicochemical properties. Establishing specificity, especially peak purity, is one of the major evaluation criteria when developing a related substances method for drug substances or products. Fixed-dose combination products may not be amenable to common strategies for assessing peak purity, such as performing orthogonal separations, due to the complexity of the separation and/or diversity of the active ingredients. An alternate approach to evaluating peak purity is demonstrated for a triple-active component fixed-dose combination product under development. A commercially available automated two-dimensional liquid chromatography system was used to perform a selective comprehensive multidimensional separation of an active ingredient peak. The first dimension performed the drug product impurity/degradant profiling method; the second dimension assayed these fractions using the drug substance profiling method, which was pseudo-orthogonal to the first dimension. A total of 14 targeted fractions were sampled across the first dimension main peak, with 11 containing detectable analytes and the remaining fractions bracketing the main peak. This degree of sampling allowed profiling of a coeluting degradant present at a 0.2% w/w level throughout the main peak.

  19. Metabolite profiling of licorice (Glycyrrhiza glabra) from different locations using comprehensive two-dimensional liquid chromatography coupled to diode array and tandem mass spectrometry detection.

    Science.gov (United States)

    Montero, Lidia; Ibáñez, Elena; Russo, Mariateresa; di Sanzo, Rosa; Rastrelli, Luca; Piccinelli, Anna Lisa; Celano, Rita; Cifuentes, Alejandro; Herrero, Miguel

    2016-03-24

    Profiling of the main metabolites from several licorice (Glycyrrhiza glabra) samples collected at different locations is carried out in this work by using comprehensive two-dimensional liquid chromatography (LC × LC) coupled to diode array (DAD) and mass spectrometry (MS) detectors. The optimized method was based on the application of a HILIC-based separation in the first dimension combined with fast RP-based second dimension separation. This set-up was shown to possess powerful separation capabilities allowing separating as much as 89 different metabolites in a single sample. Identification and grouping of metabolites according to their chemical class were achieved using the DAD, MS and MS/MS data. Triterpene saponins were the most abundant metabolites followed by glycosylated flavanones and chalcones, whereas glycyrrhizic acid, as expected, was confirmed as the main component in all the studied samples. LC × LC-DAD-MS/MS was able to resolve these complex licorice samples providing with specific metabolite profiles to the different licorice samples depending on their geographical origin. Namely, from 19 to 50 specific compounds were exclusively determined in the 2D-chromatograms from the different licorice samples depending on their geographical origin, which can be used as a typical pattern that could potentially be related to their geographical location and authentication.

  20. Investigation of interpolation techniques for the reconstruction of the first dimension of comprehensive two-dimensional liquid chromatography-diode array detector data.

    Science.gov (United States)

    Allen, Robert C; Rutan, Sarah C

    2011-10-31

    Simulated and experimental data were used to measure the effectiveness of common interpolation techniques during chromatographic alignment of comprehensive two-dimensional liquid chromatography-diode array detector (LC×LC-DAD) data. Interpolation was used to generate a sufficient number of data points in the sampled first chromatographic dimension to allow for alignment of retention times from different injections. Five different interpolation methods, linear interpolation followed by cross correlation, piecewise cubic Hermite interpolating polynomial, cubic spline, Fourier zero-filling, and Gaussian fitting, were investigated. The fully aligned chromatograms, in both the first and second chromatographic dimensions, were analyzed by parallel factor analysis to determine the relative area for each peak in each injection. A calibration curve was generated for the simulated data set. The standard error of prediction and percent relative standard deviation were calculated for the simulated peak for each technique. The Gaussian fitting interpolation technique resulted in the lowest standard error of prediction and average relative standard deviation for the simulated data. However, upon applying the interpolation techniques to the experimental data, most of the interpolation methods were not found to produce statistically different relative peak areas from each other. While most of the techniques were not statistically different, the performance was improved relative to the PARAFAC results obtained when analyzing the unaligned data.

  1. Characterization and quantification of histidine degradation in therapeutic protein formulations by size exclusion-hydrophilic interaction two dimensional-liquid chromatography with stable-isotope labeling mass spectrometry.

    Science.gov (United States)

    Wang, Chunlei; Chen, Sike; Brailsford, John A; Yamniuk, Aaron P; Tymiak, Adrienne A; Zhang, Yingru

    2015-12-24

    Two dimensional liquid chromatography (2D-LC) coupling size exclusion (SEC) and hydrophilic interaction chromatography (HILIC) is demonstrated as a useful tool to study polar excipients, such as histidine and its degradant, in protein formulation samples. The SEC-HILIC setup successfully removed interferences from complex sample matrices and enabled accurate mass measurement of the histidine degradation product, which was then determined to be trans-urocanic acid. Because the SEC effluent is a strong solvent for the second dimension HILIC, experimental parameters needed to be carefully chosen, i.e., small transferring loop, fast gradient at high flow rates for the second dimension gradient, in order to mitigate the solvent mismatch and to ensure good peak shapes for HILIC separations. In addition, the generation of trans-urocanic acid was quantified by single heart-cutting SEC-HILIC 2D-LC combined with stable-isotope labeling mass spectrometry. Compared with existing 2D quantification methods, the proposed approach is fast, insensitive to solvent mismatch between dimensions, and tolerant of small retention time shifts in the first dimension. Finally, the first dimension diode array detector was found to be a potential degradation source for photolabile analytes such as trans-urocanic acid.

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

    Directory of Open Access Journals (Sweden)

    Hożejowska Sylwia

    2014-03-01

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

  3. Fingerprinting of traditional Chinese medicines on the C18-Diol mixed-mode column in online or offline two-dimensional liquid chromatography on the single column modes.

    Science.gov (United States)

    Wang, Qing; Tong, Ling; Yao, Lin; Zhang, Peng; Xu, Li

    2016-06-01

    In the present study, a mixed-mode stationary phase, C18-Diol, was applied for fingerprint analysis of traditional Chinese medicines. Hydrophobic, hydrogen bonding and electrostatic interactions were demonstrated to contribute the retention separately or jointly, which endowed the C18-Diol stationary phase with distinct selectivity compared to the bare C18 one. The separation of total alkaloids extracted from Fritillaria hupehensis was compared on the C18-Diol and conventional C18 column with the greater resolving power and better symmetry responses on the former one. Besides, a novel two-dimensional liquid chromatography on the single column (2D-LC-1C) was realized on C18-Diol with the offline mode for the alcohol extract of Fritillaria hupehensis and online mode for Ligusticum chuanxiong Hort. The early co-eluted extracted components with great polarity on the first dimension were reinjected on the same column and well separated on the second dimension. The results exhibited that the two complementary RPLC and HILIC modes on C18-Diol stationary phase enhanced the separation capacity and revealed more abundant chemical information of the sample, which was a powerful tool in analyzing complex herbal medicines.

  4. Identifying important structural features of ionic liquid stationary phases for the selective separation of nonpolar analytes by comprehensive two-dimensional gas chromatography.

    Science.gov (United States)

    Zhang, Cheng; Ingram, Isaiah C; Hantao, Leandro W; Anderson, Jared L

    2015-03-20

    A series of dicationic ionic liquid (IL)-based stationary phases were evaluated as secondary columns in comprehensive two-dimensional gas chromatography (GC×GC) for the separation of aliphatic hydrocarbons from kerosene. In order to understand the role that structural features of ILs play on the selectivity of nonpolar analytes, the solvation parameter model was used to probe the solvation properties of the IL-based stationary phases. It was observed that room temperature ILs containing long free alkyl side chain substituents and long linker chains between the two cations possess less cohesive forces and exhibited the highest resolution of aliphatic hydrocarbons. The anion component of the IL did not contribute significantly to the overall separation, as similar selectivities toward aliphatic hydrocarbons were observed when examining ILs with identical cations and different anions. In an attempt to further examine the separation capabilities of the IL-based GC stationary phases, columns of the best performing stationary phases were prepared with higher film thickness and resulted in enhanced selectivity of aliphatic hydrocarbons.

  5. Lipid profiling of cyanobacteria Synechococcus sp. PCC 7002 using two-dimensional liquid chromatography with quadrupole time-of-flight mass spectrometry.

    Science.gov (United States)

    Shan, Yabing; Liu, Yiqun; Yang, Li; Nie, Honggang; Shen, Sensen; Dong, Chunxia; Bai, Yu; Sun, Qing; Zhao, Jindong; Liu, Huwei

    2016-10-01

    Glycerolipid is a main component of membranes in oxygenic photosynthetic organisms. Up to now, the majority of publication in this area has focused on the physiological functions of glycerolipids and lipoprotein complexes in photosynthesis, but the study on the separation and identification of glycerolipids in thylakoid membrane in cyanobacteria is relatively rare. Here we report a new method to separate and identify five photosynthetic glycerolipid classes, including monoglucosyl diacylglycerol, monogalactosyl diacylglycerol, digalactosyl diacylglycerol, sulfoquinovosyl diacylglycerol, and phosphatidylglycerol, in cyanobacteria Synechococcus sp. PCC 7002 by two-dimensional (normal- and reversed-phase) liquid chromatography online coupled to quadrupole time-of-flight mass spectrometry. Over twice as many lipid species were detected by our method compared to the previously reported methods. Ten new odd-chain fatty acid glycerolipids were discovered for the first time. Moreover, complete separation of isomers of monogalactosyl diacylglycerol and monoglucosyl diacylglycerol was achieved. According to the tandem mass spectrometry results, we found that the head group of monoglucosyl diacylglycerols was not as stable as that of monogalactosyl diacylglycerols, which might explain why the organism chose monogalactosyl diacylglycerols and digalactosyl diacylglycerols instead of monoglucosyl diacylglycerols as the main content of the photosynthetic membranes in the history of evolution. This work will benefit further research on the physiological function of glycerolipids.

  6. Screening of cannabinoids in industrial-grade hemp using two-dimensional liquid chromatography coupled with acidic potassium permanganate chemiluminescence detection.

    Science.gov (United States)

    Pandohee, Jessica; Holland, Brendan J; Li, Bingshan; Tsuzuki, Takuya; Stevenson, Paul G; Barnett, Neil W; Pearson, James R; Jones, Oliver A H; Conlan, Xavier A

    2015-06-01

    Widely known for its recreational use, the cannabis plant also has the potential to act as an antibacterial agent in the medicinal field. The analysis of cannabis plants/products in both pharmacological and forensic studies often requires the separation of compounds of interest and/or accurate identification of the whole cannabinoid profile. In order to provide a complete separation and detection of cannabinoids, a new two-dimensional liquid chromatography method has been developed using acidic potassium permanganate chemiluminescence detection, which has been shown to be selective for cannabinoids. This was carried out using a Luna 100 Å CN column and a Poroshell 120 EC-C18 column in the first and second dimensions, respectively. The method has utilized a large amount of the available separation space with a spreading angle of 48.4° and a correlation of 0.66 allowing the determination of more than 120 constituents and mass spectral identification of ten cannabinoids in a single analytical run. The method has the potential to improve research involved in the characterization of sensitive, complex matrices.

  7. On-line combination of high performance liquid chromatography with comprehensive two-dimensional gas chromatography-triple quadrupole mass spectrometry: a proof of principle study.

    Science.gov (United States)

    Zoccali, Mariosimone; Tranchida, Peter Quinto; Mondello, Luigi

    2015-02-03

    The present contribution is focused on the on-line combination of high performance liquid chromatography (HPLC), cryogenically modulated comprehensive two-dimensional gas chromatography (GC × GC), and triple quadrupole mass spectrometry (QqQ MS), generating a very powerful unified separation-science tool. The instrument can be used in seven different combinations ranging from one-dimensional HPLC with a photodiode array detector to on-line LC × GC × GC/QqQ MS. The main focus of the present research is directed to the LC-GC × GC/QqQ MS configuration, with its analytical potential shown in a proof-of-principle study involving a very complex sample, namely, coal tar. Specifically, a normal-phase LC process enabled the separation of three classes of coal tar compounds: (1) nonaromatic hydrocarbons; (2) unsaturated compounds (with and without S); (3) oxygenated constituents. The HPLC fractions were transferred to the GC × GC instrument via a syringe-based interface mounted on an autosampler. Each fraction was subjected to a specific programmed temperature vaporizer GC × GC/QqQ MS untargeted or targeted analysis. For example, the coal tar S-containing compounds were pinpointed through multiple-reaction-monitoring analysis, while full-scan information was attained for the oxygenated constituents.

  8. Analysis of spatial correlations in a model two-dimensional liquid through eigenvalues and eigenvectors of atomic-level stress matrices.

    Science.gov (United States)

    Levashov, V A; Stepanov, M G

    2016-01-01

    Considerations of local atomic-level stresses associated with each atom represent a particular approach to address structures of disordered materials at the atomic level. We studied structural correlations in a two-dimensional model liquid using molecular dynamics simulations in the following way. We diagonalized the atomic-level stress tensor of every atom and investigated correlations between the eigenvalues and orientations of the eigenvectors of different atoms as a function of distance between them. It is demonstrated that the suggested approach can be used to characterize structural correlations in disordered materials. In particular, we found that changes in the stress correlation functions on decrease of temperature are the most pronounced for the pairs of atoms with separation distance that corresponds to the first minimum in the pair density function. We also show that the angular dependencies of the stress correlation functions previously reported by Wu et al. [Phys. Rev. E 91, 032301 (2015)10.1103/PhysRevE.91.032301] do not represent the anisotropic Eshelby's stress fields, as it is suggested, but originate in the rotational properties of the stress tensors.

  9. Development of simulation approach for two-dimensional chiral molecular self-assembly driven by hydrogen bond at the liquid/solid interface

    Science.gov (United States)

    Qin, Yuan; Yao, Man; Hao, Ce; Wan, Lijun; Wang, Yunhe; Chen, Ting; Wang, Dong; Wang, Xudong; Chen, Yonggang

    2017-09-01

    Two-dimensional (2D) chiral self-assembly system of 5-(benzyloxy)-isophthalic acid derivative/(S)-(+)-2-octanol/highly oriented pyrolytic graphite was studied. A combined density functional theory/molecular mechanics/molecular dynamics (DFT/MM/MD) approach for system of 2D chiral molecular self-assembly driven by hydrogen bond at the liquid/solid interface was thus proposed. Structural models of the chiral assembly were built on the basis of scanning tunneling microscopy (STM) images and simplified for DFT geometry optimization. Merck Molecular Force Field (MMFF) was singled out as the suitable force field by comparing the optimized configurations of MM and DFT. MM and MD simulations for hexagonal unit model which better represented the 2D assemble network were then preformed with MMFF. The adhesion energy, evolution of self-assembly process and characteristic parameters of hydrogen bond were obtained and analyzed. According to the above simulation, the stabilities of the clockwise and counterclockwise enantiomorphous networks were evaluated. The calculational results were supported by STM observations and the feasibility of the simulation method was confirmed by two other systems in the presence of chiral co-absorbers (R)-(-)-2-octanol and achiral co-absorbers 1-octanol. This theoretical simulation method assesses the stability trend of 2D enantiomorphous assemblies with atomic scale and can be applied to the similar hydrogen bond driven 2D chirality of molecular self-assembly system.

  10. Ultra resolution chemical fingerprinting of dense non-aqueous phase liquids from manufactured gas plants by reversed phase comprehensive two-dimensional gas chromatography.

    Science.gov (United States)

    McGregor, Laura A; Gauchotte-Lindsay, Caroline; Daéid, Niamh Nic; Thomas, Russell; Daly, Paddy; Kalin, Robert M

    2011-07-22

    Ultra resolution chemical fingerprinting of dense non-aqueous phase liquids (DNAPLs) from former manufactured gas plants (FMGPs) was investigated using comprehensive two-dimensional gas chromatography coupled with time of flight mass spectrometry (GC×GC TOFMS). Reversed phase GC×GC (i.e. a polar primary column coupled to a non-polar secondary column) was found to significantly improve the separation of polycyclic aromatic hydrocarbons (PAHs) and their alkylated homologues. Sample extraction and cleanup was performed simultaneously using accelerated solvent extraction (ASE), with recovery rates between 76% and 97%, allowing fast, efficient extraction with minimal solvent consumption. Principal component analysis (PCA) of the GC×GC data was performed in an attempt to differentiate between twelve DNAPLs based on their chemical composition. Correlations were discovered between DNAPL composition and historic manufacturing processes used at different FMGP sites. Traditional chemical fingerprinting methods generally follow a tiered approach with sample analysis on several different instruments. We propose ultra resolution chemical fingerprinting as a fast, accurate and precise method of obtaining more chemical information than traditional tiered approaches while using only a single analytical technique.

  11. DryLab® optimised two-dimensional high performance liquid chromatography for differentiation of ephedrine and pseudoephedrine based methamphetamine samples.

    Science.gov (United States)

    Andrighetto, Luke M; Stevenson, Paul G; Pearson, James R; Henderson, Luke C; Conlan, Xavier A

    2014-11-01

    In-silico optimised two-dimensional high performance liquid chromatographic (2D-HPLC) separations of a model methamphetamine seizure sample are described, where an excellent match between simulated and real separations was observed. Targeted separation of model compounds was completed with significantly reduced method development time. This separation was completed in the heart-cutting mode of 2D-HPLC where C18 columns were used in both dimensions taking advantage of the selectivity difference of methanol and acetonitrile as the mobile phases. This method development protocol is most significant when optimising the separation of chemically similar chemical compounds as it eliminates potentially hours of trial and error injections to identify the optimised experimental conditions. After only four screening injections the gradient profile for both 2D-HPLC dimensions could be optimised via simulations, ensuring the baseline resolution of diastereomers (ephedrine and pseudoephedrine) in 9.7 min. Depending on which diastereomer is present the potential synthetic pathway can be categorized.

  12. Crosslinked structurally-tuned polymeric ionic liquids as stationary phases for the analysis of hydrocarbons in kerosene and diesel fuels by comprehensive two-dimensional gas chromatography.

    Science.gov (United States)

    Zhang, Cheng; Park, Rodney A; Anderson, Jared L

    2016-04-01

    Structurally-tuned ionic liquids (ILs) have been previously applied as the second dimension column in comprehensive two-dimensional gas chromatography (GC×GC) and have demonstrated high selectivity in the separation of individual aliphatic hydrocarbons from other aliphatic hydrocarbons. However, the maximum operating temperatures of these stationary phases limit the separation of analytes with high boiling points. In order to address this issue, a series of polymeric ionic liquid (PIL)-based stationary phases were prepared in this study using imidazolium-based IL monomers via in-column free radical polymerization. The IL monomers were functionalized with long alkyl chain substituents to provide the needed selectivity for the separation of aliphatic hydrocarbons. Columns were prepared with different film thicknesses to identify the best performing stationary phase for the separation of kerosene. The bis[(trifluoromethyl)sulfonyl]imide ([NTf2](-))-based PIL stationary phase with larger film thickness (0.28μm) exhibited higher selectivity for aliphatic hydrocarbons and showed a maximum allowable operating temperature of 300°C. PIL-based stationary phases containing varied amount of IL-based crosslinker were prepared to study the effect of the crosslinker on the selectivity and thermal stability of the resulting stationary phase. The optimal resolution of aliphatic hydrocarbons was achieved when 50% (w/w) of crosslinker was incorporated into the PIL-based stationary phase. The resulting stationary phase exhibited good selectivity for different groups of aliphatic hydrocarbons even after being conditioned at 325°C. Finally, the crosslinked PIL-based stationary phase was compared with SUPELCOWAX 10 and DB-17 columns for the separation of aliphatic hydrocarbons in diesel fuel. Better resolution of aliphatic hydrocarbons was obtained when employing the crosslinked PIL-based stationary phase as the second dimension column.

  13. Characterization of therapeutic antibodies and related products by two-dimensional liquid chromatography coupled with UV absorbance and mass spectrometric detection.

    Science.gov (United States)

    Stoll, Dwight; Danforth, John; Zhang, Kelly; Beck, Alain

    2016-10-01

    The development of analytical tools for the characterization of large biomolecules is an emerging and rapidly evolving area. This development activity is motivated largely by the current trend involving the increase in development and use of large biomolecules for therapeutic uses. Given the inherent complexity of these biomolecules, which arises from their sheer size and possibilities for chemical modification as well as changes over time (e.g., through modification in solution, aggregation), two-dimensional liquid chromatography (2D-LC) has attracted considerable interest as an analytical tool to address the challenges faced in characterizing these materials. The immediate potential benefits of 2D-LC over conventional one-dimensional liquid chromatography in this context include: (1) higher overall resolving power; (2) complementary information gained from two dimensions of separation in a single analysis; and (3) enabling indirect coupling of separation modes that are inherently incompatible with mass spectrometric (MS) detection (e.g., ion-exchange, because of high-salt eluents) to MS through a more compatible second dimension separation such as reversed-phase LC. In this review we summarize the work in this area, most of which has occurred in the past five years. Although the future is bright for further development in this area, some challenges have already been addressed through new 2D-LC methods. These include: (1) deep characterization of monoclonal antibodies to understand charge heterogeneity, glycosylation patterns, and other modifications; (2) characterization of antibody-drug conjugates to understand the extent and localization of small molecule conjugation; (3) detailed study of excipients in protein drug formulations; and (4) detection of host-cell proteins on biotherapeutic molecule preparations. We fully expect that in the near future we will see this list expanded, and that continued development will lead to methods with further improved

  14. Two-dimensional capillary origami

    Science.gov (United States)

    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.

  15. 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.

  16. Characterization of a two-dimensional liquid-filled ion chamber detector array used for verification of the treatments in radiotherapy.

    Science.gov (United States)

    Markovic, Miljenko; Stathakis, Sotirios; Mavroidis, Panayiotis; Jurkovic, Ines-Ana; Papanikolaou, Nikos

    2014-05-01

    The purpose of the study is to investigate the characteristics of a two-dimensional (2D) liquid-filled ion chamber detector array, which is used for the verification of radiotherapy treatment plans that use small field sizes of up to 10 × 10 cm. The device used in this study was Octavius 1000 SRS model (PTW, Freiburg, Germany). Its 2D array of detectors consists of 977 liquid-filled ion chambers arranged over an area of 11 × 11 cm. The size of the detectors is 2.3 × 2.3 × 0.5 mm (volume of 0.003 cm(3)) and their spacing in the inner area of 5.5 × 5.5 cm is 2.5 mm center-to-center, whereas in the outer area it is 5 mm center-to-center. The detector reproducibility, dose linearity, and sensitivity to positional changes of the collimator were tested. Also, the output factors of field sizes ranging from 0.5 × 0.5 to 10 × 10 cm(2) both for open and wedged fields have been measured and compared against those measured by a pin-point ionization chamber, liquid filled microchamber, SRS diode, and EDR2 film. Its short-term reproducibility was within 0.2% and its medium and long-term reproducibility was within 0.5% (verified with air ionization chamber absolute dose measurements), which is an excellent result taking into account the daily fluctuation of the linear accelerator and the errors in the device setup reproducibility. The dose linearity and dose rate dependence were measured in the range of 0.5-85 Gy and 0.5-10 Gy min(-1), respectively, and were verified with air ionization chamber absolute dose measurements was within 3%. The measurements of the sensitivity showed that the 2D Array could detect millimetric collimator positional changes. The measured output factors showed an agreement of better than 0.3% with the pinpoint chamber and microliquid filled chamber for the field sizes between 3 × 3 and 10 × 10 cm(2). For field sizes down to 1 × 1 cm(2), the agreement with SRS diode and microliquid filled chamber is better than 2%. The measurements of open and

  17. Characterization of a two-dimensional liquid-filled ion chamber detector array used for verification of the treatments in radiotherapy

    Energy Technology Data Exchange (ETDEWEB)

    Markovic, Miljenko, E-mail: markovic@livemail.uthscsa.edu; Stathakis, Sotirios; Mavroidis, Panayiotis; Jurkovic, Ines-Ana; Papanikolaou, Nikos [Department of Radiation Oncology, University of Texas Health Sciences Center at San Antonio, San Antonio, Texas 78229 (United States)

    2014-05-15

    Purpose: The purpose of the study is to investigate the characteristics of a two-dimensional (2D) liquid-filled ion chamber detector array, which is used for the verification of radiotherapy treatment plans that use small field sizes of up to 10 × 10 cm. Methods: The device used in this study was Octavius 1000 SRS model (PTW, Freiburg, Germany). Its 2D array of detectors consists of 977 liquid-filled ion chambers arranged over an area of 11 × 11 cm. The size of the detectors is 2.3 × 2.3 × 0.5 mm (volume of 0.003 cm{sup 3}) and their spacing in the inner area of 5.5 × 5.5 cm is 2.5 mm center-to-center, whereas in the outer area it is 5 mm center-to-center. The detector reproducibility, dose linearity, and sensitivity to positional changes of the collimator were tested. Also, the output factors of field sizes ranging from 0.5 × 0.5 to 10 × 10 cm{sup 2} both for open and wedged fields have been measured and compared against those measured by a pin-point ionization chamber, liquid filled microchamber, SRS diode, and EDR2 film. Results: Its short-term reproducibility was within 0.2% and its medium and long-term reproducibility was within 0.5% (verified with air ionization chamber absolute dose measurements), which is an excellent result taking into account the daily fluctuation of the linear accelerator and the errors in the device setup reproducibility. The dose linearity and dose rate dependence were measured in the range of 0.5–85 Gy and 0.5–10 Gy min{sup −1}, respectively, and were verified with air ionization chamber absolute dose measurements was within 3%. The measurements of the sensitivity showed that the 2D Array could detect millimetric collimator positional changes. The measured output factors showed an agreement of better than 0.3% with the pinpoint chamber and microliquid filled chamber for the field sizes between 3 × 3 and 10 × 10 cm{sup 2}. For field sizes down to 1 × 1 cm{sup 2}, the agreement with SRS diode and microliquid filled

  18. [Simultaneous determination of vitamins A, D3 and E in infant formula and adult nutritions by online two-dimensional liquid chromatography].

    Science.gov (United States)

    Zhang, Yanhai; Qibule, Hasi; Jin, Yan; Wang, Jia; Ma, Wenli

    2015-03-01

    A rapid method for the simultaneous determination of vitamins A, D3 and E in infant formula and adult nutritions has been developed using online two-dimensional liquid chromatography (2D-LC). First of all, C8 and polar embedded C18 columns were chosen as the first and second dimensional column respectively according to hydrophobic-subtraction model, which constituted excellent orthogonal separation system. The detection wavelengths were set at 263 nm for vitamin D3, 296 nm for vitamin E and 325 nm for vitamin A. The purification of vitamin D3 and quantifications of vitamins A and E were completed simultaneously in the first dimensional separation using the left pump of Dual Gradient LC (DGLC) with methanol, acetonitrile and water as mobile phases. The heart-cutting time window of vitamin D3 was confirmed according to the retention time of vitamin D3 in the first dimensional separation. The elute from the first dimensional column (1-D column) which contained vitamin D3 was collected by a 500 µL sample loop and then taken into the second dimensional column (2-D column) by the right pump of DGLC with methanol, acetonitrile and water as mobile phases. The quantification of vitamin D3 was performed in the second dimensional separation with vitamin D2 as internal standard. At last, this method was applied for the analysis of the three vitamins in milk powder, cheese and yogurt. The injected sample solution with no further purification was pre-treated by hot-saponification using 1. 25 kg/L KOH solution and extracted by petroleum ether solvent. The recoveries of vitamin D3 spiked in all samples were 75.50%-85.00%. There was no statistically significant difference for the results between this method and standard method through t-test. The results indicate that vitamins A, D3 and E in infant formula and adult fortified dairy can be determined rapidly and accurately with this method.

  19. Improving Peak Capacity in Fast On-Line Comprehensive Two-Dimensional Liquid Chromatography with Post First Dimension Flow-Splitting

    Science.gov (United States)

    Filgueira, Marcelo R.; Huang, Yuan; Witt, Klaus; Castells, Cecilia; Carr, Peter W.

    2011-01-01

    The use of flow splitters between the two dimensions in on-line comprehensive two dimensional liquid chromatography (LC×LC) has not received very much attention in comparison to their use in GC×GC where they are quite common. In principle, splitting the flow after the first dimension column and performing on-line LC×LC on this constant fraction of the first dimension effluent should allow the two dimensions to be optimized almost independently. When there is no flow splitting any change in the first dimension flow rate has an immediate impact on the second dimension. With a flow splitter one could for example double the flow rate into the first dimension column and do a 1:1 flow split without changing the sample loop size or the sampler’s collection time. Of course, the sensitivity would be diminished but this can be partially compensated by use of a larger injection; this will likely only amount to a small price to pay for this increased resolving power and system flexibility. Among other benefits, we found a 2-fold increase in the corrected 2D peak capacity and the number of observed peaks for a 15 min analysis time by using a post first dimension flow splitter. At a fixed analysis time this improvement results primarily from an increase in the gradient time resulting from the reduced system re-equilibration time and to a smaller extent it is due to the increased peak capacity achieved by full optimization of the first dimension. PMID:22017622

  20. Qualitative and quantitative two-dimensional thin-layer chromatography/high performance liquid chromatography/diode-array/electrospray-ionization-time-of-flight mass spectrometry of cholinesterase inhibitors.

    Science.gov (United States)

    Mroczek, Tomasz

    2016-09-10

    Recently launched thin-layer chromatography-mass spectrometry (TLC-MS) interface enabling extraction of compounds directly from TLC plates into MS ion source was unusually extended into two-dimensional thin-layer chromatography/high performance liquid chromatography (2D, TLC/HPLC) system by its a direct connection to a rapid resolution 50×2.1mm, I.D. C18 column compartment followed by detection by diode array (DAD) and electrospray ionisation time-of-flight mass spectrometry (ESI-TOF-MS). In this way, even not separated bands of complicated mixtures of natural compounds could be analysed structurally, only within 1-2min after development of TLC plates. In comparison to typically applied TLC-MS interface, no ion suppression for acidic mobile phases was observed. Also, substantial increase in ESI-TOF-MS sensitivities and quality of spectra, were noticed. It has been utilised in combination with TLC- based bioautographic approaches of acetylcholinesterase (AChE) inhibitors, However, it can be also applied in any other procedures related to bioactivity (e.g. 2,2-Diphenyl-1-picryl-hydrazyl-DPPH screen test for radicals). This system has been also used for determination of half maximal inhibitory concentration (IC50 values) of the active inhibitor-galanthamine, as an example. Moreover, AChE inhibitory potencies of some of purified plant extracts, never studied before, have been quantitatively measured. This is first report of usage such the 2D TLC/HPLC/MS system both for qualitative and quantitative evaluation of cholinesterase inhibitors in biological matrices. Copyright © 2016 Elsevier B.V. All rights reserved.

  1. Establishing a protein expression profile database for the normal human pituitary gland using two-dimensional high-performance liquid chromatography combined with LTQ-Orbitrap mass spectrometry

    Institute of Scientific and Technical Information of China (English)

    Rong Xie; Wei Xu; Weimin Bao; Hang Liu; Luping Chen; Yiwen Shen; Jianhong Zhu

    2012-01-01

    In this study, we selected adult normal pituitary gland tissues from six patients during operations for pituitary microadenomas via the transsphenoidal approach for extended normal pituitary tissue resection around the tumor, and analyzed the protein expression of human normal pituitary using two-dimensional high-performance liquid chromatography combined with LTQ-Orbitrap mass spectrometry proteomics technology. The ten most highly expressed proteins in normal human pituitary were: alpha 3 type VI collagen isoform 5 precursor (abundance among tall pituitary proteins, 1.30%), fibrinogen beta chain preproprotein (0.99%), vimentin (0.73%), prolactin (0.69%), ATP synthase, H+ transporting and mitochondrial F1 complex beta subunit precursor (0.52%), keratin I (0.49%), growth hormone (0.45%), carbonic anhydrase I (0.40%), heat shock protein 90 kDa I (0.31%), and annexin V (0.30%). Based on the biological function classifications of these proteins, the top three categories by content were neuroendocrine proteins (abundance among all pituitary proteins, 40.1%), catalytic and metabolic proteins (28.3%), and cell signal transduction proteins (9.8%). Based on cell positioning classification, the top three categories were cell organelle (24.5%), membrane (20.8%), and cytoplasm (13.0%). Based on biological process classification, the top three categories of proteins are involved in physiological processes (42.9%), cellular processes (40.4%), and regulation of biological processes (9.1%). Our experimental findings indicate that a protein expression profile database of normal human pituitary can be precisely and efficiently established by proteomics technology.

  2. Proteomic analysis of tears following acupuncture treatment for menopausal dry eye disease by two-dimensional nano-liquid chromatography coupled with tandem mass spectrometry

    Science.gov (United States)

    Liu, Qingyu; Liu, Junling; Ren, Chengda; Cai, Wenting; Wei, Qingquan; Song, Yi; Yu, Jing

    2017-01-01

    Background The purpose of this study was to investigate whether acupuncture is effective at treating dry eye disease among postmenopausal women and to identify the possible mechanisms. Methods Twenty-eight postmenopausal women with dry eye disease were randomly divided into two groups: an acupuncture plus artificial tears (AC + AT) group and an artificial tears (AT) only group. After baseline examination of clinical parameters and tear sample collection, each patient received the designated modality of topical therapy for 2 months. Post-treatment documentation of clinical parameters was recorded, and tear samples were collected. Tear samples from the AC + AT group were subjected to two-dimensional nano-liquid chromatography coupled with tandem mass spectrometry (2D nano-LC-MS/MS). Western blot analysis was also performed on tear samples from both groups. Results After treatment, the Ocular Surface Disease Index scores, symptom assessment scores, scores of sign assessment, and tear break-up time were significantly improved in both groups (P=0.000). Symptom assessment scores were significantly improved in the AC + AT group (P=0.000) compared with the AT group. 2D nano-LC-MS/MS identified 2,411 proteins, among which 142 were downregulated and 169 were upregulated. After combined AC + AT treatment, the abundance of secreted proteins was increased, whereas that of cytoplasmic proteins decreased (Pearson’s χ2 test, P=0.000, P=0.000, respectively). Proteins involved in immunity and regulation were also more abundant (Pearson’s χ2 test, P=0.040, P=0.016, respectively), while components and proliferation-related proteins were downregulated (Pearson’s χ2 test, P=0.003, P=0.011, respectively). Conclusion AC + AT treatment increased protein synthesis and secretion, and improved clinical symptoms. These results indicate that acupuncture may be a complimentary therapy for treating postmenopausal dry eye disease. PMID:28280333

  3. Ultra high pressure in the second dimension of a comprehensive two-dimensional liquid chromatographic system for carotenoid separation in red chili peppers.

    Science.gov (United States)

    Cacciola, Francesco; Donato, Paola; Giuffrida, Daniele; Torre, Germana; Dugo, Paola; Mondello, Luigi

    2012-09-14

    A comprehensive normal-phase × reversed-phase (NP-LC × RP-LC) liquid chromatography system was developed, and applied for analysis of the intact carotenoid composition of red chili peppers, with photodiode array and mass spectrometry detection. A micro-bore cyano column (250 mm × 1.0 mm, 5 μm d.p.) was chosen for the first dimension ((1)D) separation, interfaced to a second dimension ((2)D) C18 column (30 mm × 4.6 mm, 2.7 μm d.p.) packed with fused-core particles. Subsequently, two columns of the same stationary phase were coupled serially for second dimension separation, and operated under ultra high pressure LC conditions (UHPLC), within a cycle time of 1.50 or 1.00 min, and equal modulation times. Performances of the three different set-ups were evaluated, in terms of peak capacity values (n(c)), and afterwards corrected by taking into account both the under-sampling, and the orthogonality effects. After these adjustments, the peak capacity values were estimated as follows: n(c) 526, for the NP-LC × RP-LC system, n(c) 373, for the NP-LC × RP-UHPLC system with a 1.50 min modulation time, n(c) 639, for the NP-LC × RP-UHPLC system, with a 1.00 min modulation time. A total of 33 compounds were separated into 10 different chemical classes in the two-dimensional space, and identified by accurate IT-TOF (ion trap-time of flight) MS detection. Copyright © 2012 Elsevier B.V. All rights reserved.

  4. Theoretical and experimental comparison of one dimensional versus on-line comprehensive two dimensional liquid chromatography for optimized sub-hour separations of complex peptide samples.

    Science.gov (United States)

    Sarrut, Morgan; Rouvière, Florent; Heinisch, Sabine

    2017-05-19

    This study was devoted to the search for conditions leading to highly efficient sub-hour separations of complex peptide samples with the objective of coupling to mass spectrometry. In this context, conditions for one dimensional reversed phase liquid chromatography (1D-RPLC) were optimized on the basis of a kinetic approach while conditions for on-line comprehensive two-dimensional liquid chromatography using reversed phase in both dimensions (on-line RPLCxRPLC) were optimized on the basis of a Pareto-optimal approach. Maximizing the peak capacity while minimizing the dilution factor for different analysis times (down to 5min) were the two objectives under consideration. For gradient times between 5 and 60min, 15cm was found to be the best column length in RPLC with sub-2μm particles under 800bar as system pressure. In RPLCxRPLC, for less than one hour as first dimension gradient time, the sampling rate was found to be a key parameter in addition to conventional parameters including column dimension, particle size, flow-rate and gradient conditions in both dimensions. It was shown that the optimum sampling rate was as low as one fraction per peak for very short gradient times (i.e. below 10min). The quality descriptors obtained under optimized RPLCxRPLC conditions were compared to those obtained under optimized RPLC conditions. Our experimental results for peptides, obtained with state of the art instrumentation, showed that RPLCxRPLC could outperform 1D-RPLC for gradient times longer than 5min. In 60min, the same peak intensity (same dilution) was observed with both techniques but with a 3-fold lower injected amount in RPLCxRPLC. A significant increase of the signal-to-noise ratio mainly due to a strong noise reduction was observed in RPLCxRPLC-MS compared to the one in 1D-RPLC-MS making RPLCxRPLC-MS a promising technique for peptide identification in complex matrices. Copyright © 2017 Elsevier B.V. All rights reserved.

  5. Characterisation of dense non-aqueous phase liquids of coal tar using comprehensive two-dimensional gas chromatography coupled with time of flight mass spectrometry.

    Science.gov (United States)

    Gauchotte-Lindsay, Caroline; McGregor, Laura; Richards, Phil; Kerr, Stephanie; Glenn, Aliyssa; Thomas, Russell; Kalin, Robert

    2013-04-01

    Comprehensive two-dimensional gas chromatography (GCxGC) is a recently developed analytical technique in which two capillary columns with different stationary phases are placed in series enabling planar resolution of the analytes. The resolution power of GCxGC is one order of magnitude higher than that of one dimension gas chromatography. Because of its high resolution capacity, the use of GCxGC for complex environmental samples such as crude oils, petroleum derivatives and polychlorinated biphenyls mixtures has rapidly grown in recent years. We developed a one-step method for the forensic analysis of coal tar dense non-aqueous phase liquids (DNAPLs) from former manufactured gas plant (FMGP) sites. Coal tar is the by-product of the gasification of coal for heating and lighting and it is composed of thousands of organic and inorganic compounds. Before the boom of natural gases and oils, most towns and cities had one or several manufactured gas plants that have, in many cases, left a devastating environmental print due to coal tar contamination. The fate of coal tar DNAPLs, which can persist in the environment for more than a hundred years, is therefore of crucial interest. The presented analytical method consists of a unique clean-up/ extraction stage by pressurized liquid extraction and a single analysis of its organic chemical composition using GCxGC coupled with time of flight mass spectrometry (TOFMS). The chemical fingerprinting is further improved by derivatisation by N,O-bis(trimethylsilyl)trifluoroacetamide (BSTFA) of the tar compounds containing -OH functions such as alcohols and carboxylic acids. We present here how, using the logical order of elution in GCxGC-TOFMS system, 1) the identification of never before observed -OH containing compounds is possible and 2) the isomeric selectivity of an oxidation reaction on a DNAPL sample can be revealed. Using samples collected at various FMGP sites, we demonstrate how this GCxGC method enables the simultaneous

  6. Two-dimensional calculus

    CERN Document Server

    Osserman, Robert

    2011-01-01

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

  7. Two dimensional vernier

    Science.gov (United States)

    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.

  8. Online profiling of triacylglycerols in plant oils by two-dimensional liquid chromatography using a single column coupled with atmospheric pressure chemical ionization mass spectrometry.

    Science.gov (United States)

    Wei, Fang; Ji, Shu-Xian; Hu, Na; Lv, Xin; Dong, Xu-Yan; Feng, Yu-Qi; Chen, Hong

    2013-10-18

    The complexity of natural triacylglycerols (TAGs) in various edible oils is high because of the hundreds of TAG compositions, which makes the profiling of TAGs quite difficult. In this investigation, a rapid and high-throughput method for online profiling of TAGs in plant oils by two-dimensional (2D) liquid chromatography using a single column coupled with atmospheric pressure chemical ionization (APCI) mass spectrometry was reported. A novel mixed-mode 2D chromatographic column packed with silver-ion-modified octyl and sulfonic co-bonded silica was employed in this online 2D separation system. This novel 2D column combined the features of C8 column and silver-ion. In comparison with the traditional C18 column and silver-ion column, which are the two main columns used for the separation of complex TAGs in natural oil samples, this novel 2D column, could provide hydrophobic interactions as well as π-complexation interactions. It exhibited much higher selectivity for the separation of TAGs, and the separation was rapid. This online 2D separation system was successful in the separation of a large number of TAG solutes, and the TAG structures were evaluated by analyzing their APCI mass spectra information. This system was applied for the profiling of TAGs in peanut oils, corn oils, and soybean oils. 30 TAGs in peanut oils, 18 TAGs in corn oils, and 21 TAGs in soybean oils were determined and quantified. The highest relative content of TAGs was LLL, which was found in corn oil with the relative content up to 45.43 (%, w/w), and the lowest relative content of TAGs was LLS and OSS, which was found in soybean oil and corn oil respectively, with the relative content only 0.01 (%, w/w). In addition, the TAG data were analyzed by principal component analysis (PCA). Results of PCA enabled a clear identification of different plant oils. This method provided an efficient and convenient chromatographic technology for the fast characterization and quantification of complex TAGs

  9. Application of at-line two-dimensional liquid chromatography-mass spectrometry for identification of small hydrophilic angiotensin I-inhibiting peptides in milk hydrolysates

    NARCIS (Netherlands)

    van Platerink, C.J.; Janssen, H.-G.M.; Haverkamp, J.

    2008-01-01

    A two-dimensional chromatographic method with mass spectrometric detection has been developed for identification of small, hydrophilic angiotensin I-inhibiting peptides in enzymatically hydrolysed milk proteins. The method involves the further separation of the poorly retained hydrophilic fraction f

  10. Long-wavelength behavior of the optimal HNC/O solution for the ground state. Pt. 2. Two-body correlation factor for two-dimensional homogeneous liquid 4He at T=0 K

    Energy Technology Data Exchange (ETDEWEB)

    Szybisz, L. (Lab. TANDAR, Dept. de Fisica, Comision Nacional de Energia Atomica, Buenos Aires (Argentina))

    1990-08-01

    The ground-state wave function for a two-dimensional homogeneous liquid 4He at zero temperature is obtained from a paired-phonon analysis within the HNC/0 approximation. The long-wavelength behavior of the twobody correlation factor, u(q), is studied by following the procedure previously applied to three-dimensional bulk systems. It is shown that a cut-off law for the phonons can be determined by analyzing u(q) at small two-dimensional momenta q. The numerical results strongly support an exponential cut-off similar to that suggested by Chester and Reatto for the bulk liquid. The first-sound velocity c{sub 1} and the cut-off momentum q{sub c} are calculated at several densities in the range 0.028-0.080 A - 2. (orig.).

  11. Two-dimensional optical spectroscopy

    CERN Document Server

    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.

  12. Glass transition in binary eutectic systems: best glass-forming composition.

    Science.gov (United States)

    Wang, Li-Min; Li, Zijing; Chen, Zeming; Zhao, Yue; Liu, Riping; Tian, Yongjun

    2010-09-23

    The glass transition and glass-forming ability in a binary eutectic system of methyl o-toluate (MOT) versus methyl p-toluate (MPT) are studied across the whole composition range. The phase diagram is constructed to explore the best glass-forming composition as the characteristic temperatures of the glass transition, crystallization, eutectic, and liquidus are determined. The best vitrification region is found to locate between the eutectic and the midpoint compositions of the eutectic line, indicating a remarkable deviation from the eutectic composition. The compilation of various simple binary eutectic systems covering inorganic, metallic, ionic, and molecular glass-forming liquids reproduces the rule. Kinetics and thermodynamics in binary systems are investigated to associate with the rule. The composition dependence of the structural relaxation time and the kinetic fragility are presented with dielectric measurements. It is found that whereas mixing of binary miscible liquids kinetically favors glass formation, thermodynamic contribution to the deviation of the best glass-forming composition from eutectics is implied.

  13. Structure of the glass-forming metallic liquids by ab-initio and classical molecular dynamics, a case study: Quenching the Cu{sub 60}Ti{sub 20}Zr{sub 20} alloy

    Energy Technology Data Exchange (ETDEWEB)

    Amokrane, S.; Ayadim, A.; Levrel, L. [Groupe “Physique des Liquides et Milieux Complexes,” Faculté des Sciences et Technologie, Université Paris-Est (Créteil), 61 av. du Général de Gaulle, 94010 Créteil Cedex (France)

    2015-11-21

    We consider the question of the amorphization of metallic alloys by melt quenching, as predicted by molecular dynamics simulations with semi-empirical potentials. The parametrization of the potentials is discussed on the example of the ternary Cu-Ti-Zr transition metals alloy, using the ab-initio simulation as a reference. The pair structure in the amorphous state is computed from a potential of the Stillinger-Weber form. The transferability of the parameters during the quench is investigated using two parametrizations: from solid state data, as usual and from a new parametrization on the liquid structure. When the adjustment is made on the pair structure of the liquid, a satisfactory transferability is found between the pure components and their alloys. The liquid structure predicted in this way agrees well with experiment, in contrast with the one obtained using the adjustment on the solid. The final structure, after quenches down to the amorphous state, determined with the new set of parameters is shown to be very close to the ab-initio one, the latter being in excellent agreement with recent X-rays diffraction experiments. The corresponding critical temperature of the glass transition is estimated from the behavior of the heat capacity. Discussion on the consistency between the structures predicted using semi-empirical potentials and ab-initio simulation, and comparison of different experimental data underlines the question of the dependence of the final structure on the thermodynamic path followed to reach the amorphous state.

  14. Linear stability of horizontal, laminar fully developed, quasi-two-dimensional liquid metal duct flow under a transverse magnetic field and heated from below

    Science.gov (United States)

    Vo, Tony; Pothérat, Alban; Sheard, Gregory J.

    2017-03-01

    This study considers the linear stability of Poiseuille-Rayleigh-Bénard flows subjected to a transverse magnetic field, to understand the instabilities that arise from the complex interaction between the effects of shear, thermal stratification, and magnetic damping. This fundamental study is motivated in part by the desire to enhance heat transfer in the blanket ducts of nuclear fusion reactors. In pure magnetohydrodynamic flows, the imposed transverse magnetic field causes the flow to become quasi-two-dimensional and exhibit disturbances that are localized to the horizontal walls. However, the vertical temperature stratification in Rayleigh-Bénard flows feature convection cells that occupy the interior region, and therefore the addition of this aspect provides an interesting point for investigation. The linearized governing equations are described by the quasi-two-dimensional model proposed by Sommeria and Moreau [J. Fluid Mech. 118, 507 (1982), 10.1017/S0022112082001177], which incorporates a Hartmann friction term, and the base flows are considered fully developed and one-dimensional. The neutral stability curves for critical Reynolds and Rayleigh numbers, Rec and Rac, respectively, as functions of Hartmann friction parameter H have been obtained over 10-2≤H ≤104 . Asymptotic trends are observed as H →∞ following Rec∝H1 /2 and Rac∝H . The linear stability analysis reveals multiple instabilities which alter the flow both within the Shercliff boundary layers and the interior flow, with structures consistent with features from plane Poiseuille and Rayleigh-Bénard flows.

  15. Quantum-spin-liquid states in the two-dimensional kagome antiferromagnets ZnxCu4-x(OD)6Cl2.

    Science.gov (United States)

    Lee, S-H; Kikuchi, H; Qiu, Y; Lake, B; Huang, Q; Habicht, K; Kiefer, K

    2007-11-01

    A three-dimensional system of interacting spins typically develops static long-range order when it is cooled. If the spins are quantum (S=1/2), however, novel quantum paramagnetic states may appear. The most highly sought state among them is the resonating-valence-bond state, in which every pair of neighbouring quantum spins forms an entangled spin singlet (valence bonds) and these singlets are quantum mechanically resonating among themselves. Here we provide an experimental indication for such quantum paramagnetic states existing in frustrated antiferromagnets, Zn(x)Cu(4-x)(OD)(6)Cl(2), where the S=1/2 magnetic Cu2+ moments form layers of a two-dimensional kagome lattice. We find that in Cu(4)(OD)(6)Cl(2), where distorted kagome planes are weakly coupled, a dispersionless excitation mode appears in the magnetic excitation spectrum below approximately 20 K, whose characteristics resemble those of quantum spin singlets in a solid state, known as a valence-bond solid, that breaks translational symmetry. Doping with non-magnetic Zn2+ ions reduces the distortion of the kagome lattice, and weakens the interplane coupling but also dilutes the magnetic occupancy of the kagome lattice. The valence-bond-solid state is suppressed, and for ZnCu(3)(OD)(6)Cl(2), where the kagome planes are undistorted and 90% occupied by the Cu2+ ions, the low-energy spin fluctuations become featureless.

  16. Numerical simulation of nematic liquid crystalline flow in two-dimensional L-shaped channels; Nijigen L gata ryuro ni okeru nematic ekisho no nagare no suchi simulation

    Energy Technology Data Exchange (ETDEWEB)

    Chono, S.; Tsuji, T. [Fukui University, Fukui (Japan). Faculty of Engineering

    1995-05-25

    Finite difference solutions to the Leslie-Ericksen equations were obtained for flows in two-dimensional L-shaped channels with various contraction ratios of the upstream to downstream channel width. A streamline shift toward the outer wall occurs upstream of the reentrant corner. Such behavior is similar to that of viscoelastic fluids. With increasing contraction ratio, the streamline shift occurs further upstream. The effect of the wall anchoring angle for the director is remarkable; for example, when the anchoring angle along the downstream walls is set to be opposite to the main flow direction, a distortion of streamlines is produced in the corner region and the director moves to the downstream region upside down. At small Ericksen numbers, the orientation angle for the director is varied over a wide area so as to suppress its local deformation. In contrast, when the Ericksen number is large, the director profile in the upstream region is retained close to the corner region where the director turns rapidly to the downstream direction. 7 refs., 9 figs., 1 tab.

  17. Theory and simulations of quantum glass forming liquids.

    Science.gov (United States)

    Markland, Thomas E; Morrone, Joseph A; Miyazaki, Kunimasa; Berne, B J; Reichman, David R; Rabani, Eran

    2012-02-21

    A comprehensive microscopic dynamical theory is presented for the description of quantum fluids as they transform into glasses. The theory is based on a quantum extension of mode-coupling theory. Novel effects are predicted, such as reentrant behavior of dynamical relaxation times. These predictions are supported by path integral ring polymer molecular dynamics simulations. The simulations provide detailed insight into the factors that govern slow dynamics in glassy quantum fluids. Connection to other recent work on both quantum glasses as well as quantum optimization problems is presented.

  18. Modeling the transient flow of undercooled glass-forming liquids

    OpenAIRE

    Demetriou, Marios D.; Johnson, Wiliam L.

    2004-01-01

    n a recent experimental study on flow behavior of Vitreloy-1 (Zr41.25Ti13.75Cu12.5Ni10Be22.5), three distinct modes of flow are suggested: Newtonian, non-Newtonian, and localized flow. In a subsequent study, the experimental flow data is utilized in a self-consistent manner to develop a rate equation to govern local free volume production. In the present study the production-rate equation is transformed into a transport equation that can be coupled with momentum and energy transport via visco...

  19. Recent progress in criterions for glass forming ability

    Institute of Scientific and Technical Information of China (English)

    YANG Bing; DU Yong; LIU Yong

    2009-01-01

    The glass-forming ability(GFA) is an important factor in studying metallic glasses. So far, there are several criteria for evaluating the glass-forming ability. For predicting compositions for bulk metallic glasses, however, they show more or less accuracy and versatility for different cases. In this work, four types of criteria for the glass-forming ability are categorized and reviewed: 1) Indicators with characteristic temperatures; 2) Indicators involving structural factors; 3) Indicators based on Miedema's model; and 4) Indictors based on phase diagram. It is pointed out that a single indicator cannot be used to predict GFA of all the metallic glass systems correctly due to its limited theoretical framework, and the combination of multiple indicators shows more efficiency and accuracy. Though it is still very difficult to develop a universal indicator for GFA, recent indicators seem to be of more reliable physical meaning than those previously suggested.

  20. Asymmetric crystallization during cooling and heating in model glass-forming systems.

    Science.gov (United States)

    Wang, Minglei; Zhang, Kai; Li, Zhusong; Liu, Yanhui; Schroers, Jan; Shattuck, Mark D; O'Hern, Corey S

    2015-03-01

    We perform molecular dynamics (MD) simulations of the crystallization process in binary Lennard-Jones systems during heating and cooling to investigate atomic-scale crystallization kinetics in glass-forming materials. For the cooling protocol, we prepared equilibrated liquids above the liquidus temperature Tl and cooled each sample to zero temperature at rate Rc. For the heating protocol, we first cooled equilibrated liquids to zero temperature at rate Rp and then heated the samples to temperature T>Tl at rate Rh. We measured the critical heating and cooling rates Rh* and Rc*, below which the systems begin to form a substantial fraction of crystalline clusters during the heating and cooling protocols. We show that Rh*>Rc* and that the asymmetry ratio Rh*/Rc* includes an intrinsic contribution that increases with the glass-forming ability (GFA) of the system and a preparation-rate dependent contribution that increases strongly as Rp→Rc* from above. We also show that the predictions from classical nucleation theory (CNT) can qualitatively describe the dependence of the asymmetry ratio on the GFA and preparation rate Rp from the MD simulations and results for the asymmetry ratio measured in Zr- and Au-based bulk metallic glasses (BMG). This work emphasizes the need for and benefits of an improved understanding of crystallization processes in BMGs and other glass-forming systems.

  1. Molecular dynamics study of the ternary Cu50Ti25Zr25 bulk glass forming alloy

    Directory of Open Access Journals (Sweden)

    Celtek M.

    2011-05-01

    Full Text Available The structure and thermodynamic properties of a ternary Cu50Ti25Zr25 metallic glass forming alloy in solid-liquid to glass phases were studied using molecular dynamics (MD method based on tight-binding (TB potentials. An atomic description of the melting, glass formation and crystallization process has been analyzed using different heating and cooling rates. The computed Glass Forming Ability (GFA parameters are in good agreement with experimental data. The structure analysis of the Cu50Ti25Zr25 based on molecular dynamics simulation will be also presented and compared with available MD results. We have also discussed the crystallization transition with two different interatomic potentials used in this work

  2. The relationship between efficient packing and glass-forming ability in hard-sphere systems

    Science.gov (United States)

    Zhang, Kai

    2014-03-01

    When supercooled liquids are rapidly quenched at rates R exceeding a critical value Rc, they avoid crystallization and form amorphous solids, such as bulk metallic glasses (BMGs). However, engineering applications of BMGs are often limited by the high cost of the constituent elements and their small casting thickness. Thus, we seek to design particular alloys with controllable stoichiometry and maximal critical cooling rate Rc. We perform numerical simulations to compress binary hard-sphere mixtures into glasses as a function of the particle size ratio and stoichiometry. We measure the packing fraction and local structural order for each glass to determine the critical compression rate. We find that large packing fraction differences between the crystalline and amorphous states implies poor glass forming ability, whereas small packing fraction differences yield better glass-formers. In addition, we show that an abundance of icosahedral order in amorphous packings enhances the glass forming ability of the mixtures. NSF MRSEC DMR-1119826, DMR-1006537, CBET-0968013.

  3. Characterization of synthetic dyes by comprehensive two-dimensional liquid chromatography combining ion-exchange chromatography and fast ion-pair reversed-phase chromatography

    NARCIS (Netherlands)

    Pirok, B.W.J.; Knip, J.; van Bommel, M.R.; Schoenmakers, P.J.

    2016-01-01

    In the late 19th century, newly invented synthetic dyes rapidly replaced the natural dyes on the market. The characterization of mixtures of these so-called early synthetic dyes is complicated through the occurrence of many impurities and degradation products. Conventional one-dimensional liquid chr

  4. A study of the electron image due to ionizing events in a two-dimensional liquid argon TPC with a 24 cm drift gap

    Science.gov (United States)

    Bonetti, S.; Braggiotti, A.; Buckley, E.; Campanella, M.; Carugno, G.; Cecchet, G.; Cennini, P.; Centro, S.; Ciocio, A.; Cittolin, S.; Dainese, B.; Ferro-Luzzi, M.; Gasparini, F.; Gonidec, A.; Manfredi, P. F.; Meroni, E.; Muñoz, R.; Perreau, J.-M.; Pietropaolo, F.; Ptohos, F.; Ragusa, F.; Rossi, P.; Rubbia, C.; Schinzel, D.; Schmidt, W. F.; Seidl, W.

    1990-01-01

    We have tested a liquid argon time projection chamber with a novel wire configuration based on electrostatic focussing which allows the realization of a nondestructive detection of the electron image produced by ionizing events. The chamber was tested in a 5 GeV pion beam at the CERN proton synchrotron. The measured pulse shapes at both 200 V/cm and 500 V/cm were in very good agreement with the expected shapes, calculated taking into account the electron lifetime, the response of the electronics and the longitudinal diffusion of the electron cloud. The measured electron drift velocity was in good agreement with the results of other workers as well as with our previous measurements. We have also analysed a sample of events containing delta rays in order to study the behaviour of low-energy electrons in the liquid argon. We find that for electron energies greater than 5 MeV the measured energy spectrum agrees very well with the predicted spectrum after corrections for acceptance and energy loss, hence demonstrating the feasibility of recognizing low-energy electrons in liquid argon.

  5. Composition dependence of the glass forming ability in binary mixtures: The role of demixing entropy

    Science.gov (United States)

    Nandi, Ujjwal Kumar; Banerjee, Atreyee; Chakrabarty, Suman; Bhattacharyya, Sarika Maitra

    2016-07-01

    We present a comparative study of the glass forming ability of binary systems with varying composition, where the systems have similar global crystalline structure (CsCl+fcc). Biased Monte Carlo simulations using umbrella sampling technique show that the free energy cost to create a CsCl nucleus increases as the composition of the smaller particles is decreased. We find that systems with comparatively lower free energy cost to form CsCl nucleus exhibit more pronounced pre-crystalline demixing near the liquid/crystal interface. The structural frustration between the CsCl and fcc crystal demands this demixing. We show that closer to the equimolar mixture, the entropic penalty for demixing is lower and a glass forming system may crystallize when seeded with a nucleus. This entropic penalty as a function of composition shows a non-monotonic behaviour with a maximum at a composition similar to the well known Kob-Anderson (KA) model. Although the KA model shows the maximum entropic penalty and thus maximum frustration against CsCl formation, it also shows a strong tendency towards crystallization into fcc lattice of the larger "A" particles which can be explained from the study of the energetics. Thus for systems closer to the equimolar mixture although it is the requirement of demixing which provides their stability against crystallization, for KA model it is not demixing but slow dynamics and the presence of the "B" particles make it a good glass former. The locally favoured structure around "B" particles is quite similar to the CsCl structure and the incompatibility of CsCl and fcc hinders the fcc structure growth in the KA model. Although the glass forming binary systems studied here are quite similar, differing only in composition, we find that their glass forming ability cannot be attributed to a single phenomenon.

  6. Composition dependence of the glass forming ability in binary mixtures: The role of demixing entropy.

    Science.gov (United States)

    Nandi, Ujjwal Kumar; Banerjee, Atreyee; Chakrabarty, Suman; Bhattacharyya, Sarika Maitra

    2016-07-21

    We present a comparative study of the glass forming ability of binary systems with varying composition, where the systems have similar global crystalline structure (CsCl+fcc). Biased Monte Carlo simulations using umbrella sampling technique show that the free energy cost to create a CsCl nucleus increases as the composition of the smaller particles is decreased. We find that systems with comparatively lower free energy cost to form CsCl nucleus exhibit more pronounced pre-crystalline demixing near the liquid/crystal interface. The structural frustration between the CsCl and fcc crystal demands this demixing. We show that closer to the equimolar mixture, the entropic penalty for demixing is lower and a glass forming system may crystallize when seeded with a nucleus. This entropic penalty as a function of composition shows a non-monotonic behaviour with a maximum at a composition similar to the well known Kob-Anderson (KA) model. Although the KA model shows the maximum entropic penalty and thus maximum frustration against CsCl formation, it also shows a strong tendency towards crystallization into fcc lattice of the larger "A" particles which can be explained from the study of the energetics. Thus for systems closer to the equimolar mixture although it is the requirement of demixing which provides their stability against crystallization, for KA model it is not demixing but slow dynamics and the presence of the "B" particles make it a good glass former. The locally favoured structure around "B" particles is quite similar to the CsCl structure and the incompatibility of CsCl and fcc hinders the fcc structure growth in the KA model. Although the glass forming binary systems studied here are quite similar, differing only in composition, we find that their glass forming ability cannot be attributed to a single phenomenon.

  7. Search for potential markers for prostate cancer diagnosis, prognosis and treatment in clinical tissue specimens using amine-specific isobaric tagging (iTRAQ) with two-dimensional liquid chromatography and tandem mass spectrometry.

    Science.gov (United States)

    Garbis, Spiros D; Tyritzis, Stavros I; Roumeliotis, Theodoros; Zerefos, Panagiotis; Giannopoulou, Eugenia G; Vlahou, Antonia; Kossida, Sophia; Diaz, Jose; Vourekas, Stavros; Tamvakopoulos, Constantin; Pavlakis, Kitty; Sanoudou, Despina; Constantinides, Constantinos A

    2008-08-01

    This study aimed to identify candidate new diagnosis and prognosis markers and medicinal targets of prostate cancer (PCa), using state of the art proteomics. A total of 20 prostate tissue specimens from 10 patients with benign prostatic hyperplasia (BPH) and 10 with PCa (Tumour Node Metastasis [TNM] stage T1-T3) were analyzed by isobaric stable isotope labeling (iTRAQ) and two-dimensional liquid chromatography-tandem mass spectrometry (2DLC-MS/MS) approaches using a hybrid quadrupole time-of-flight system (QqTOF). The study resulted in the reproducible identification of 825 nonredundant gene products (p or =2-fold) and another 35 exhibited down-regulation (prostate tissue specimens. The proteins determined support existing knowledge and uncover novel and promising PCa biomarkers. The PCa proteome found can serve as a useful aid for the identification of improved diagnostic and prognostic markers and ultimately novel chemopreventive and therapeutic targets.

  8. Host-guest supramolecular chemistry at solid-liquid interface:An important strategy for preparing two-dimensional functional nanostructures

    Institute of Scientific and Technical Information of China (English)

    ZHANG XueMei; ZENG QingDao; WANG Chen

    2014-01-01

    Supramolecular self-assembly,an important strategy in nanotechnology,has been widely studied in the past two decades.In this review,we have introduced the recent progress on construction of two-dimensional(2D)nanostructures by host-guest supramolecular chemistry at solid-liquid interface,and the interactions between the host assembly and the guest molecules are the major concerns.At first,the hydrogen bonds connected hybrid structures are discussed.And then we have paid a close attention on the surface-confined condensation reactions that has flourished recently in direct preparing novel nanostructures with increasing structural complexity.In the end,the cavity confinement of the 2D supramolecular host-guest architectures has been studied.On the basis of the above-mentioned interactions,a group of functional hybrid structures have been prepared.Notably,scanning tunneling microscopy(STM),a unique technique to probe the surface morphology and information at the single molecule level,has been used to probe the formed structures on highly oriented pyrolytic graphite(HOPG)surface.

  9. Characterization of binding and bioaccessibility of Cr in Cr-enriched yeast by sequential extraction followed by two-dimensional liquid chromatography with mass spectrometric detection

    Energy Technology Data Exchange (ETDEWEB)

    Kaewkhomdee, Nattikarn [Laboratoire de Chimie Analytique Bio-inorganique et Environnement, Angot (France); Mahidol University, Department of Chemistry and Center for Innovation in Chemistry, Faculty of Science, Bangkok (Thailand); Mounicou, Sandra; Szpunar, Joanna [Laboratoire de Chimie Analytique Bio-inorganique et Environnement, Angot (France); Lobinski, Ryszard [Laboratoire de Chimie Analytique Bio-inorganique et Environnement, Angot (France); Warsaw University of Technology, Department of Analytical Chemistry, Warsaw (Poland); Shiowatana, Juwadee [Mahidol University, Department of Chemistry and Center for Innovation in Chemistry, Faculty of Science, Bangkok (Thailand)

    2010-02-15

    Sequential extraction (water, Driselase, protease XIV) and extraction with simulated gastric and intestinal fluids were proposed to characterize the binding and the bioaccessibility of chromium in two commercial food supplements obtained by incorporation of this element into yeast. Chromium in Cr-enriched yeast was found to be hardly extractable with water, Driselase, or simulated gastric fluid (recoveries of approximately 10-20%), but proteolysis or gastrointestinal fluid digestion released more than half of the chromium present. Fractionation with size-exclusion chromatography with Cr-specific detection by inductively coupled plasma mass spectrometry (ICP MS) allowed the distinction of two fractions: one below approximately 1 kDa and one 1-5 kDa; they contained the entirety of the released Cr with proportions varying as a function of the extracting solution and the origin of sample. When collected and investigated by reversed-phase high-performance liquid chromatography-ICP MS, the low molecular mass fraction was found to release Cr(III), whereas the heavier one showed most of Cr bound in fairly stable hydrophobic complexes. However, an attempt of their identification by electrospray ionization MS/MS and matrix-assisted laser desorption ionization MS was not successful. (orig.)

  10. Two-dimensional liquid chromatography protein expression mapping for differential proteomic analysis of normal and O157:H7 Escherichia coli.

    Science.gov (United States)

    Zheng, Suping; Schneider, Kimberly A; Barder, Timothy J; Lubman, David M

    2003-12-01

    A multidimensional chromatographic method has been applied for the differential analysis of proteins from different strains of Escherichia coli bacteria. Proteins are separated in the first dimension using chromatofocusing (CF) and further separated by nonporous reversed-phase high-performance liquid chromatography (NPS-RP-HPLC) in the second dimension. A 2-dimensional (2-D) expression map of bacterial protein content is created for virulent O157:H7 and nonvirulent E. coli strains depicting protein isoelectric point (pI) versus protein hydrophobicity. Differentially expressed proteins are further characterized using electrospray/ionization time-of-flight mass spectrometry (ESI-TOF-MS) for intact protein molecular weight (MW) determination and matrix-assisted laser desorption/ionization time-of-flight mass spectrometry (MALDI-TOF-MS) peptide mass fingerprinting for protein identification. Using this method, no significant differential protein expression is exhibited between the two O157:H7 strains examined over a pH range of 4.0-7.0, and O157:H7 strains could be distinguished from nonvirulent E. coli. Several proteins differentially expressed between O157:H7 and nonvirulent E. coli are identified as potential markers for detection and treatment of O157:H7 infection.

  11. Characterization of binding and bioaccessibility of Cr in Cr-enriched yeast by sequential extraction followed by two-dimensional liquid chromatography with mass spectrometric detection.

    Science.gov (United States)

    Kaewkhomdee, Nattikarn; Mounicou, Sandra; Szpunar, Joanna; Lobinski, Ryszard; Shiowatana, Juwadee

    2010-02-01

    Sequential extraction (water, Driselase, protease XIV) and extraction with simulated gastric and intestinal fluids were proposed to characterize the binding and the bioaccessibility of chromium in two commercial food supplements obtained by incorporation of this element into yeast. Chromium in Cr-enriched yeast was found to be hardly extractable with water, Driselase, or simulated gastric fluid (recoveries of approximately 10-20%), but proteolysis or gastrointestinal fluid digestion released more than half of the chromium present. Fractionation with size-exclusion chromatography with Cr-specific detection by inductively coupled plasma mass spectrometry (ICP MS) allowed the distinction of two fractions: one below approximately 1 kDa and one 1-5 kDa; they contained the entirety of the released Cr with proportions varying as a function of the extracting solution and the origin of sample. When collected and investigated by reversed-phase high-performance liquid chromatography-ICP MS, the low molecular mass fraction was found to release Cr(III), whereas the heavier one showed most of Cr bound in fairly stable hydrophobic complexes. However, an attempt of their identification by electrospray ionization MS/MS and matrix-assisted laser desorption ionization MS was not successful.

  12. Thermodynamics of the Gd/sub 63. 2/Co/sub 36. 8/ glass-forming eutectic

    Energy Technology Data Exchange (ETDEWEB)

    Baricco, M.; Antonione, C.; Battezzati, L.

    1987-06-01

    In the last years a tendency has consolidated to investigate the properties of the liquid phase in relation to amorphization. The thermodynamic properties of glass-forming liquids show some remarkable similarities and provide a unifying picture for the understanding of glass formation. In particular the specific heat difference between liquid and crystal phases, C/sub P/, seem always positive thus enabling the liquid entropy to approach that of the solid on under-cooling towards the glass transition temperature, T/sub g/. The enthalpy of mixing in glass-forming alloys is strongly negative and depends on temperature giving rise to an excess specific heat. As the liquid and crystalline pure elements have similar specific heat and the Newmann-Kopp law is usually obeyed by solid alloys, the excess specific heat can be assimilated to G. This last quantity, therefore, determines the trend of the thermodynamic properties in the undercooling regime and ultimately the glass-forming tendency of the liquid systems. Specific heat data are available for some liquid alloys but only a few of them refer to glass-forming systems. Typical examples are Au/sub 77/Ge/sub 13.6/Si/sub 9.4/ among metal-metalloid and Mg/sub 85.5/Cu/sub 14.5/ among metal-metal systems. The authors present here a complete determination of the thermodynamic properties of the Gd/sub 63.2/Co/sub 36.8/ eutectic as an example for anthanide transition metal glass-formers. This alloy is low melting so that its liquid state is accessible by differential scanning calorimetry. It forms glasses readily by means of liquid quenching.

  13. Design of an Automatic Two-dimensional Liquid Chromatograph Control System%全自动二维液相色谱仪控制系统的设计

    Institute of Scientific and Technical Information of China (English)

    常剑; 罗飞

    2011-01-01

    Based on the theory of two-dimensional chromatogram the liquid chromatograph employs two chromatographic columns to gradually separate substances, and thus solves the challenge of separating natural substances in traditional Chinese medicine.Firstly the structure of the two-dimensional liquid chromatograph is introduced, then two methods for controlling stream paths and separating substances, on-line separating and off-line separating are discussed in details.And then the design for controlling the stream paths is illustrated which is aimed at the realization of time-sharing control of various valves and the realization of separating substances and steady operating of systems in different separating ways.And in the substance collecting step, an algorithm is adopted for the analysis of chromatogram wave.As is shown by the result, the system can collect substances efficiently.%二维液相色谱仪根据二维液相色谱的原理,采用两根色谱柱逐步分离,解决了中药中天然物质分离难度大的问题.本文首先介绍了二维液相色谱仪控制系统的架构,接着讨论了整体流路及分离的两种工作方法:在线工作方式和离线工作方式.然后设计控制流路实现对各种阀门的分时控制,以实现不同分离方法下的系统运行及物质分离.在最后收集阶段,采用一种算法对色谱波峰进行分析,实现有效收集.

  14. Development of selective comprehensive two-dimensional liquid chromatography with parallel first-dimension sampling and second-dimension separation--application to the quantitative analysis of furanocoumarins in apiaceous vegetables.

    Science.gov (United States)

    Larson, Elliot D; Groskreutz, Stephen R; Harmes, David C; Gibbs-Hall, Ian C; Trudo, Sabrina P; Allen, Robert C; Rutan, Sarah C; Stoll, Dwight R

    2013-05-01

    Various implementations of two-dimensional high-performance liquid chromatography are increasingly being developed and applied to the analysis of complex materials, including those encountered in the analysis of foods, beverages, and nutraceuticals. Previously, we introduced the concept of selective comprehensive two-dimensional liquid chromatography (sLC × LC) as a hybrid between the more conventional, but extreme opposite sampling modes of heartcutting (LC-LC) and fully comprehensive (LC × LC) 2D separation. The sLC × LC approach breaks the link between first dimension ((1)D) sampling time and second dimension ((2)D) analysis time that is faced in LC × LC and allows very rapid (as low as 1 s) sampling of highly efficient (1)D separations, while at the same time allowing efficient (2)D separations on the timescale of tens of seconds. In this paper, we improve upon our previous sLC × LC work by demonstrating the ability to perform the processes of (1)D sampling and (2)D separation in parallel. This significantly improves the flexibility of the technique and allows targeted analysis of analytes that elute close together in time in the (1)D separation. To demonstrate the value of this added capability, we have developed a sLC × LC method using multi-wavelength ultraviolet absorbance detection for the quantitative analysis of six target furanocoumarin compounds in extracts of celery, parsley, and parsnips. We show that (2)D separations of (1)D effluent containing the target compounds of interest reveal the presence of unanticipated interferent peaks that would otherwise compromise the quantitative accuracy of the method. We also demonstrate the application of the chemometric method iterative key set factor analysis with alternating least-squares to sLC × LC to mathematically resolve target compounds that are only slightly separated chromatographically but not sufficiently resolved for accurate quantitation.

  15. Studies of spin relaxation and molecular dynamics in liquid crystals by two-dimensional Fourier transform electron spin resonance. II. Perdeuterated-tempone in butoxy benzylidene octylaniline and dynamic cage effects

    Science.gov (United States)

    Sastry, V. S. S.; Polimeno, Antonino; Crepeau, Richard H.; Freed, Jack H.

    1996-10-01

    Two-dimensional Fourier transform (2D-FT)-electron spin resonance (ESR) studies on the small globular spin probe perdeuterated tempone (PDT) in the liquid crystal solvent 4O,8 (butoxy benzylidene octylaniline) are reported. These experiments, over the temperature range of 95 °C to 24 °C, cover the isotropic (I), nematic (N), smectic A (SA), smectic B (SB), and crystal (C) phases. The 2D-ELDOR (two-dimensional electron-electron double resonance) spectra confirm the anomalously rapid reorientation of PDT, especially in the lower temperature phases. The model of a slowly relaxing local structure (SRLS) leads to generally very good non-linear least squares (NLLS) global fits to the sets of 2D-ELDOR spectra obtained at each temperature. These fits are significantly better than those achieved by the standard model of Brownian reorientation in a macroscopic orienting potential. The SRLS model is able to account for anomalies first observed in an earlier 2D-ELDOR study on PDT in a different liquid crystal in its smectic phases. Although it is instructional to extract the various spectral densities from the COSY (correlation spectroscopy) and 2D-ELDOR spectra, the use of NLLS global fitting to a full set of 2D-ELDOR spectra is shown to be more reliable and convenient for obtaining optimum model parameters, especially in view of possible (incipient) slow motional effects from the SRLS or dynamic cage. The cage potential is found to remain fairly constant at about kBT over the various phases (with only a small drop in the SB phase), but its asymmetry increases with decreasing temperature T. This value is significantly larger than the weak macroscopic orienting potential which increases from 0.1 to 0.3kBT with decreasing T. The cage relaxation rate, given by Rc is about 3×107 s-1 in the I phase, but increases to about 108 s-1 in the SA, SB, and C phases. The rotational diffusion tensor for PDT shows only a small T-independent asymmetry, and its mean rotational diffusion

  16. Two-Dimensional Numerical Simulation of Gas/Liquid Interface Instability%二维气/液界面不稳定性数值模拟

    Institute of Scientific and Technical Information of China (English)

    王涛; 柏劲松; 李平

    2008-01-01

    以多介质的体积分数方法和三阶PPM(Piecewise Parabolic Method)方法为基础,给出了适用于多介质流体动力学数值模拟的计算方法和程序MFPPM.利用MFPPM程序对在高压气体冲击作用下的气体/液体交界面的Richtmyer-Meshkov (RM) 不稳定性及其引起的流体混合现象进行了数值模拟研究.主要研究在不同的初始扰动情况下流体混合区的发展,并细致研究了流体混合区的宽度、气泡和尖钉高度随时间的增长情况及不同初始扰动对它们的影响;同时还研究了网格尺度不同时混合区、气泡以及尖钉的构型和高度的增长情况.通过对计算结果的分析得出,流体混合区、气泡以及尖钉的发展与初始扰动有密切的关系,特别是在后期影响更为显著;混合区宽度的变化过程和尖钉相似,而气泡高度的变化基本上呈线性增长趋势,且受初始扰动的影响比较小,但是其构型却有明显差别;网格的影响也主要体现在对混合区、气泡和尖钉的构型上.%On the basis of multi-fluid volume fraction(VOF) and piecewise parabolic method(PPM),a multi-fluid hydrodynamic program MFPPM(Multi-Fluid Piecewise Parabolic Method) was developed and performed to study the Richtmyer-Meshkov instability of gas/liquid interface.The influences of initial perturbations and grids on the fluid mixing zone(FMZ) were mainly researched when it is accelerated by shock waves,and the FMZ width,bubble and spike height growing with time were presented simultaneously.By comparing the computational results,it shows that the initial perturbations affect the FMZ growth rate extremely,especially at late times.The evolution of spike is similar to the FMZ,the bubble height increases linearly with time basically,and influenced little by initial perturbations,but the configuration is quite different,and as the effect of grid size is.

  17. 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.

  18. Two-Dimensional Vernier Scale

    Science.gov (United States)

    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.

  19. Fully automated analysis of four tobacco-specific N-nitrosamines in mainstream cigarette smoke using two-dimensional online solid phase extraction combined with liquid chromatography-tandem mass spectrometry.

    Science.gov (United States)

    Zhang, Jie; Bai, Ruoshi; Yi, Xiaoli; Yang, Zhendong; Liu, Xingyu; Zhou, Jun; Liang, Wei

    2016-01-01

    A fully automated method for the detection of four tobacco-specific nitrosamines (TSNAs) in mainstream cigarette smoke (MSS) has been developed. The new developed method is based on two-dimensional online solid-phase extraction-liquid chromatography-tandem mass spectrometry (SPE/LC-MS/MS). The two dimensional SPE was performed in the method utilizing two cartridges with different extraction mechanisms to cleanup disturbances of different polarity to minimize sample matrix effects on each analyte. Chromatographic separation was achieved using a UPLC C18 reversed phase analytical column. Under the optimum online SPE/LC-MS/MS conditions, N'-nitrosonornicotine (NNN), N'-nitrosoanatabine (NAT), N'-nitrosoanabasine (NAB), and 4-(methylnitrosamino)-1-(3-pyridyl)-1-butanone (NNK) were baseline separated with good peak shapes. This method appears to be the most sensitive method yet reported for determination of TSNAs in mainstream cigarette smoke. The limits of quantification for NNN, NNK, NAT and NAB reached the levels of 6.0, 1.0, 3.0 and 0.6 pg/cig, respectively, which were well below the lowest levels of TSNAs in MSS of current commercial cigarettes. The accuracy of the measurement of four TSNAs was from 92.8 to 107.3%. The relative standard deviations of intra-and inter-day analysis were less than 5.4% and 7.5%, respectively. The main advantages of the method developed are fairly high sensitivity, selectivity and accuracy of results, minimum sample pre-treatment, full automation, and high throughput. As a part of the validation procedure, the developed method was applied to evaluate TSNAs yields for 27 top-selling commercial cigarettes in China. Copyright © 2015 Elsevier B.V. All rights reserved.

  20. Glass-forming ability analysis of selected Fe-based bulk amorphous alloys

    Directory of Open Access Journals (Sweden)

    R. Nowosielski

    2010-09-01

    Full Text Available Purpose: The paper mainly aims to present the structure and thermal stability of selected Fe-based bulk metallic glasses: Fe72B20Si4Nb4 and Fe43Co14Ni14B20Si5Nb4.Design/methodology/approach: The investigated samples were cast in form of the rods by the pressure die casting method. The structure analysis of the studied materials in as-cast state was carried out using XRD and TEM methods. The thermal stability associated with glass transition temperature (Tg, onset (Tx and peak (Tp crystallization temperature was examined by differential scanning calorimetry (DSC. Several parameters have been used to determine the glass-forming ability of studied alloys. The parameters of GFA included reduced glass transition temperature (Trg, supercooled liquid region (ΔTx, the stability (S and (Kgl parameter.Findings: The XRD and TEM investigations revealed that the studied as-cast metallic glasses were fully amorphous. Changes of the onset and peak crystallization temperature and the glass transition temperature as a function of glassy samples thickness were stated. The good glass-forming ability (GFA enabled casting of the Fe72B20Si4Nb4 and Fe43Co14Ni14B20Si5Nb4 glassy rods.Practical implications: The obtained examination results confirm the utility of applied investigation methods in the thermal stability analysis of examined bulk amorphous alloys. It is evident that parameters Trg, ΔTx, Kgl, S could be used to determine glass-forming ability of studied bulk metallic glasses.Originality/value: The success of fabrication of studied Fe-based bulk metallic glasses in form of rods with diameter up to 3 mm is important for the future progress in research of this group of materials.

  1. Experimental approach for thermal parameters estimation during glass forming process

    Science.gov (United States)

    Abdulhay, B.; Bourouga, B.; Alzetto, F.; Challita, C.

    2016-10-01

    In this paper, an experimental device designed and developedto estimate thermal conditions at the Glass / piston contact interface is presented. This deviceis made of two parts: the upper part contains the piston made of metal and a heating device to raise the temperature of the piston up to 500 °C. The lower part is composed of a lead crucible and a glass sample. The assembly is provided with a heating system, an induction furnace of 6 kW for heating the glass up to 950 °C.The developed experimental procedure has permitted in a previous published study to estimate the Thermal Contact ResistanceTCR using the inverse technique developed by Beck [1]. The semi-transparent character of the glass has been taken into account by an additional radiative heat flux and an equivalent thermal conductivity. After the set-up tests, reproducibility experiments for a specific contact pressure have been carried outwith a maximum dispersion that doesn't exceed 6%. Then, experiments under different conditions for a specific glass forming process regarding the application (Packaging, Buildings and Automobile) were carried out. The objective is to determine, experimentallyfor each application,the typical conditions capable to minimize the glass temperature loss during the glass forming process.

  2. Dielectric relaxation of long-chain glass-forming monohydroxy alcohols

    Science.gov (United States)

    Gao, Yanqin; Tu, Wenkang; Chen, Zeming; Tian, Yongjun; Liu, Riping; Wang, Li-Min

    2013-10-01

    The dielectric relaxation of two long-chain glass forming monohydroxy alcohols, 2-butyl-1-octanol and 2-hexyl-1-decanol, is studied at low temperature. Remarkable broadening from the pure Debye relaxation is identified for the slowest dynamics, differing from the dielectric spectra of short-chain alcohols. The broadening of the Debye-like relaxation in the two liquids develops as temperature increases, and the approaching of the Debye-like and structural relaxation widths is shown. Similar results are observed in the dielectric spectra of dilute 2-ethyl-1-hexanol in either 2-hexyl-1-decanol or squalane. The results of the liquids and mixtures reveal a correlation between the broadening and the Debye-like relaxation strength. Molecular associations in monohydroxy alcohols are discussed with the modification of the Debye relaxation.

  3. A thermodynamic approach towards glass-forming ability of amorphous metallic alloys

    Indian Academy of Sciences (India)

    Sonal R Prajapati; Supriya Kasyap; Arun Pratap

    2015-12-01

    A quantitative measure of the stability of a glass as compared to its corresponding crystalline state can be obtained by calculating the thermodynamic parameters, such as the Gibbs free energy difference (), entropy difference () and the enthalpy difference () between the super-cooled liquid and the corresponding crystalline phase. is known as the driving force of crystallization. The driving force of crystallization () provides very important information about the glass-forming ability (GFA) of metallic glasses (MGs). Lesser the driving force of crystallization more is the GFA. The varies linearly with the critical size (). According to Battezzati and Garonne the parameter ( = (1−(/))/(1−( / ))) in the expression for should be a constant (i.e., 0.8), but its uniqueness is not observed for all MGs. The thermal stability of various alloy compositions is studied by their undercooled liquid region ( = − ). Large implies greater stability against crystallization of the amorphous structure. Other GFA parameters are also calculated and correlated with critical size ().

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

    Science.gov (United States)

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

    2015-02-01

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

  5. Characterization of sulfur and nitrogen compounds in Brazilian petroleum derivatives using ionic liquid capillary columns in comprehensive two-dimensional gas chromatography with time-of-flight mass spectrometric detection.

    Science.gov (United States)

    Cappelli Fontanive, Fernando; Souza-Silva, Érica Aparecida; Macedo da Silva, Juliana; Bastos Caramão, Elina; Alcaraz Zini, Claudia

    2016-08-26

    Diesel and naphtha samples were analyzed using ionic liquid (IL) columns to evaluate the best column set for the investigation of organic sulfur compounds (OSC) and nitrogen(N)-containing compounds analyses with comprehensive two-dimensional gas chromatography coupled to time-of-flight mass spectrometry detector (GC×GC/TOFMS). Employing a series of stationary phase sets, namely DB-5MS/DB-17, DB-17/DB-5MS, DB-5MS/IL-59, and IL-59/DB-5MS, the following parameters were systematically evaluated: number of tentatively identified OSC, 2D chromatographic space occupation, number of polyaromatic hydrocarbons (PAH) and OSC co-elutions, and percentage of asymmetric peaks. DB-5MS/IL-59 was chosen for OSC analysis, while IL59/DB-5MS was chosen for nitrogen compounds, as each stationary phase set provided the best chromatographic efficiency for these two classes of compounds, respectively. Most compounds were tentatively identified by Lee and Van den Dool and Kratz retention indexes, and spectra-matching to library. Whenever available, compounds were also positively identified via injection of authentic standards.

  6. Separation and characterization of phenolic compounds and triterpenoid saponins in licorice (Glycyrrhiza uralensis) using mobile phase-dependent reversed-phase×reversed-phase comprehensive two-dimensional liquid chromatography coupled with mass spectrometry.

    Science.gov (United States)

    Qiao, Xue; Song, Wei; Ji, Shuai; Wang, Qi; Guo, De-an; Ye, Min

    2015-07-10

    Licorice is one of the most popular herbal medicines worldwide. It contains a big array of phenolic compounds (flavonoids, coumarins, and diphenylethanones). Due to high structural diversity, low abundance, and co-elution with licorice saponins, these phenolic compounds are difficult to be separated by conventional chromatography. In this study, a mobile phase-dependent reversed-phase×reversed phase comprehensive two-dimensional liquid chromatography (RP×RP 2DLC) method was established to separate phenolic compounds in licorice (the roots of Glycyrrhiza uralensis). Organic solvents in the mobile phase were optimized to improve orthogonality of the first and second dimensions, and a synchronized gradient mode was used to improve chromatographic resolution. Finally, licorice extracts were eluted with methanol/water/formic acid in the first dimension (Acquity CSH C18 column), and acetonitrile/water/formic acid in the second dimension (Poroshell Phenyl-Hexyl column). By using this 2DLC system, a total of 311 compounds were detected within 40min. The practical and effective peak capacity was 1329 and 524, respectively, and the orthogonality was 79.8%. The structures of 21 selected unknown compounds were tentatively characterized by mass spectrometry, and 8 of them were discovered from G. uralensis for the first time. The mobile phase-dependent 2DLC/MS system could benefit the separation and characterization of natural products in complicated herbal extracts.

  7. Separation and analysis of phenolic acids from Salvia miltiorrhiza and its related preparations by off-line two-dimensional hydrophilic interaction chromatography×reversed-phase liquid chromatography coupled with ion trap time-of-flight mass spectrometry.

    Science.gov (United States)

    Sun, Wanyang; Tong, Ling; Miao, Jingzhuo; Huang, Jingyi; Li, Dongxiang; Li, Yunfei; Xiao, Hongting; Sun, Henry; Bi, Kaishun

    2016-01-29

    Salvia miltiorrhiza (SM) is one of the most widely used Traditional Chinese Medicine. Active constituents of SM mainly contain hydrophilic phenolic acids (PAs) and lipophilic tanshinones. However, due to the existing of multiple ester bonds and unsaturated bonds in the structures, PAs have numerous chemical conversion products. Many of them are so low-abundant that hard to be separated using conventional methods. In this study, an off-line two-dimensional liquid chromatography (2D-LC) method was developed to separate PAs in SM and its related preparations. In the first dimension, samples were fractionated by hydrophilic interaction chromatography (HILIC) (Acchrom×Amide, 4.6×250mm, 5μm) mainly based on the hydrogen bonding effects. The fractions were then separated on reversed-phase liquid chromatography (RP-LC) (Acquity HSS T3, 2.1×50mm, 1.7μm) according to hydrophobicity. For the selective identification of PAs, diode array detector (DAD) and electrospray ionization tandem ion trap time-of-flight mass spectrometry (ESI-IT-TOF-MS) were employed. Practical and effective peak capacities of all the samples were greater than 2046 and 1130, respectively, with the orthogonalities ranged from 69.7% to 92.8%, which indicated the high efficiency and versatility of this method. By utilizing the data post-processing techniques, including mass defect filter, neutral loss filter and product ion filter, a total of 265 compounds comprising 196 potentially new PAs were tentatively characterized. Twelve kinds of derivatives, mainly including glycosylated compounds, O-alkylated compounds, condensed compounds and hydrolyzed compounds, constituted the novelty of the newly identified PAs. The HILIC×RP-LC/TOF-MS system expanded our understanding on PAs of S. miltiorrhiza and its related preparations, which could also benefit the separation and characterization of polar constituents in complicated herbal extracts.

  8. Computational studies of the glass-forming ability of model bulk metallic glasses.

    Science.gov (United States)

    Zhang, Kai; Wang, Minglei; Papanikolaou, Stefanos; Liu, Yanhui; Schroers, Jan; Shattuck, Mark D; O'Hern, Corey S

    2013-09-28

    Bulk metallic glasses (BMGs) are produced by rapidly thermally quenching supercooled liquid metal alloys below the glass transition temperature at rates much faster than the critical cooling rate R(c) below which crystallization occurs. The glass-forming ability of BMGs increases with decreasing R(c), and thus good glass-formers possess small values of R(c). We perform molecular dynamics simulations of binary Lennard-Jones (LJ) mixtures to quantify how key parameters, such as the stoichiometry, particle size difference, attraction strength, and heat of mixing, influence the glass-formability of model BMGs. For binary LJ mixtures, we find that the best glass-forming mixtures possess atomic size ratios (small to large) less than 0.92 and stoichiometries near 50:50 by number. In addition, weaker attractive interactions between the smaller atoms facilitate glass formation, whereas negative heats of mixing (in the experimentally relevant regime) do not change R(c) significantly. These results are tempered by the fact that the slowest cooling rates achieved in our simulations correspond to ~10(11) K/s, which is several orders of magnitude higher than R(c) for typical BMGs. Despite this, our studies represent a first step in the development of computational methods for quantitatively predicting glass-formability.

  9. Computational studies of the glass-forming ability of model bulk metallic glasses

    Science.gov (United States)

    Zhang, Kai; Wang, Minglei; Papanikolaou, Stefanos; Liu, Yanhui; Schroers, Jan; Shattuck, Mark D.; O'Hern, Corey S.

    2013-09-01

    Bulk metallic glasses (BMGs) are produced by rapidly thermally quenching supercooled liquid metal alloys below the glass transition temperature at rates much faster than the critical cooling rate Rc below which crystallization occurs. The glass-forming ability of BMGs increases with decreasing Rc, and thus good glass-formers possess small values of Rc. We perform molecular dynamics simulations of binary Lennard-Jones (LJ) mixtures to quantify how key parameters, such as the stoichiometry, particle size difference, attraction strength, and heat of mixing, influence the glass-formability of model BMGs. For binary LJ mixtures, we find that the best glass-forming mixtures possess atomic size ratios (small to large) less than 0.92 and stoichiometries near 50:50 by number. In addition, weaker attractive interactions between the smaller atoms facilitate glass formation, whereas negative heats of mixing (in the experimentally relevant regime) do not change Rc significantly. These results are tempered by the fact that the slowest cooling rates achieved in our simulations correspond to ˜1011 K/s, which is several orders of magnitude higher than Rc for typical BMGs. Despite this, our studies represent a first step in the development of computational methods for quantitatively predicting glass-formability.

  10. Selection of compositions with high glass forming ability in the Ni-Nb-B alloy system

    Directory of Open Access Journals (Sweden)

    Marcio Andreato Batista Mendes

    2012-10-01

    Full Text Available A combination of an extension of the topological instability "λ criterion" and the "average electronegativity" has been recently reported in the literature to predict compositions with high glass-forming ability (GFA. In the present work, both criteria have been applied to select the Ni61.0Nb36.0B3 alloy with a high glass-forming ability. Ingots were prepared by arc-melting and were used to produce ribbons processed by the melt-spinning technique further characterized by differential scanning calorimetry (DSC, X-ray diffraction (XRD and scanning electron microscopy (SEM. The Ni61.0Nb36.0B3 alloy revealed a complete amorphization and supercooled liquid region ΔTx = 68 K. In addition, wedge-shaped samples were prepared using copper mold casting in order to determine the critical thickness for amorphous formation. Scanning electron microscopy (SEM revealed that fully amorphous samples could be obtained, reaching up to ~800 µm in thickness.

  11. Two-dimensional quantum repeaters

    Science.gov (United States)

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

    2016-11-01

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

  12. Two-dimensional cubic convolution.

    Science.gov (United States)

    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.

  13. Studies of spin relaxation and molecular dynamics in liquid crystals by two-dimensional Fourier transform electron spin resonance. I. Cholestane in butoxy benzylidene-octylaniline and dynamic cage effects

    Science.gov (United States)

    Sastry, V. S. S.; Polimeno, Antonino; Crepeau, Richard H.; Freed, Jack H.

    1996-10-01

    Two-dimensional Fourier transform (2D-FT) electron spin resonance (ESR) studies on the rigid rodlike cholestane (CSL) spin-label in the liquid crystal solvent 4O,8 (butoxy benzylidene octylaniline) are reported. These experiments were performed over a wide temperature range: 96 °C to 25 °C covering the isotropic (I), nematic (N), smectic A (SA), smectic B (SB), and crystal (C) phases. It is shown that 2D-FT-ESR, especially in the form of 2D-ELDOR (two-dimensional electron-electron double resonance) provides greatly enhanced sensitivity to rotational dynamics than previous cw-ESR studies on this and related systems. This sensitivity is enhanced by obtaining a series of 2D-ELDOR spectra as a function of mixing time, Tm, yielding essentially a three-dimensional experiment. Advantage is taken of this sensitivity to study the applicability of the model of a slowly relaxing local structure (SRLS). In this model, a dynamic cage of solvent molecules, which relaxes on a slower time scale than the CSL solute, provides a local orienting potential in addition to that of the macroscopic aligning potential in the liquid crystalline phase. The theory of Polimeno and Freed for SRLS in the ESR slow motional regime is extended by utilizing the theory of Lee et al. to include 2D-FT-ESR experiments, and it serves as the basis for the analysis of the 2D-ELDOR experiments. It is shown that the SRLS model leads to significantly improved non-linear least squares fits to experiment over those obtained with the standard model of Brownian reorientation in a macroscopic aligning potential. This is most evident for the SA phase, and the use of the SRLS model also removes the necessity of fitting with the unreasonably large CSL rotational asymmetries in the smectic phases that are required in both the cw-ESR and 2D-ELDOR fits with the standard model. The cage potential is found to vary from about kBT in the isotropic phase to greater than 2kBT in the N and SA phases, with an abrupt drop to

  14. Classifying Two-dimensional Hyporeductive Triple Algebras

    CERN Document Server

    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.

  15. Post-polymerization photografting on methacrylate-based monoliths for separation of intact proteins and protein digests with comprehensive two-dimensional liquid chromatography hyphenated with high-resolution mass spectrometry.

    Science.gov (United States)

    Vonk, Rudy J; Wouters, Sam; Barcaru, Andrei; Vivó-Truyols, Gabriel; Eeltink, Sebastiaan; de Koning, Leo J; Schoenmakers, Peter J

    2015-05-01

    Post-polymerization photografting is a versatile tool to alter the surface chemistry of organic-based monoliths so as to obtain desired stationary phase properties. In this study, 2-acrylamido-2-methyl-1-propanesulfonic acid was grafted to a hydrophobic poly(butyl methacrylate-co-ethylene glycol dimethacrylate) monolith to create a strong cation exchange stationary phase. Both single-step and two-step photografting were addressed, and the effects of grafting conditions were assessed. An experimental design has been applied in an attempt to optimize three of the key parameters of the two-step photografting chemistry, i.e. the grafting time of the initiator, the monomer concentration and the monomer irradiation time. The photografted columns were implemented in a comprehensive two-dimensional column liquid chromatography ( (t) LC ×  (t) LC) workflow and applied for the separation of intact proteins and peptides. A baseline separation of 11 intact proteins was obtained within 20 min by implementing a gradient across a limited RP composition window in the second dimension. (t) LC ×  (t) LC with UV detection was used for the separation of cytochrome c digest, bovine serum insulin digest and a digest of a complex protein mixture. A semi-quantitative estimation of the occupation of separation space, the orthogonality, of the (t) LC ×  (t) LC system yielded 75%. The (t) LC ×  (t) LC setup was hyphenated to a high-resolution Fourier transform ion cyclotron resonance mass spectrometer instrument to identify the bovine serum insulin tryptic peptides and to demonstrate the compatibility with MS analysis.

  16. Thermal and relaxational properties of glass-forming material, 3,3-dimethyl-1-butanol

    Energy Technology Data Exchange (ETDEWEB)

    Massalska-Arodz, Maria [H. Niewodniczanski Institute of Nuclear Physics, Polish Academy of Sciences, ul. Radzikowskiego 152, 31-342 Cracow (Poland) and Research Center for Molecular Thermodynamics, Graduate School of Science, Osaka University, Toyonaka, Osaka, 560-0043 (Japan)]. E-mail: Maria.Massalska-Arodz@ifj.edu.pl; Nakamoto, Tadahiro [Research Center for Molecular Thermodynamics, Graduate School of Science, Osaka University, Toyonaka, Osaka, 560-0043 (Japan); Wasiutynski, Tadeusz [H. Niewodniczanski Institute of Nuclear Physics, Polish Academy of Sciences, ul. Radzikowskiego 152, 31-342 Cracow (Poland); Research Center for Molecular Thermodynamics, Graduate School of Science, Osaka University, Toyonaka, Osaka, 560-0043 (Japan); Mayer, Jacek [H. Niewodniczanski Institute of Nuclear Physics, Polish Academy of Sciences, ul. Radzikowskiego 152, 31-342 Cracow (Poland); Research Center for Molecular Thermodynamics, Graduate School of Science, Osaka University, Toyonaka, Osaka, 560-0043 (Japan); Krawczyk, Jan [H. Niewodniczanski Institute of Nuclear Physics, Polish Academy of Sciences, ul. Radzikowskiego 152, 31-342 Cracow (Poland); Sorai, Michio [Research Center for Molecular Thermodynamics, Graduate School of Science, Osaka University, Toyonaka, Osaka, 560-0043 (Japan)]. E-mail: sorai@chem.sci.osaka-u.ac.jp

    2004-10-01

    As a part of a project for glass-formers having various values of fragility, molecular dynamics of a glass-forming material 3,3-dimethyl-1-butanol has been presented on the basis of the dielectric relaxation studies. Three characteristic relaxations were observed. To provide thermodynamic aspects of this material, adiabatic heat-capacity calorimetry has also been performed in the (13 to 302) K temperature range. The stable crystal of this material melts at T{sub m} = 235.7 K. When the material is rapidly cooled at a rate greater than 5 K min{sup -1}, the liquid is easily super-cooled and eventually transformed to a glassy state. Standard thermodynamic quantities are evaluated for both the stable crystalline and the glassy states. Structural relaxation processes are discussed in relation to the phase behaviour revealed by the calorimetry.

  17. Soft-ferromagnetic bulk glassy alloys with large magnetostriction and high glass-forming ability

    Directory of Open Access Journals (Sweden)

    Jiawei Li

    2011-12-01

    Full Text Available The effect of Dy addition on the glass-forming ability (GFA, magnetostriction as well as soft-magnetic properties and fracture strength in FeDyBSiNb glassy alloys was investigated. In addition to the increase of supercooled liquid region from 55 to 100 K, the addition of Dy is effective in approaching alloy to an eutectic point and increasing the saturation magnetostrction (λs. Accordingly, bulk glassy alloy (BGA rods with diameters up to 4 mm were produced, which exhibit a large λs as high as 65×10-6. Besides, the BGA system exhibits superhigh fracture strength of 4000 MPa, combined with good soft-magnetic properties.

  18. Theoretical study of miscibility and glass-forming trends in mixtures of polystyrene spheres

    Science.gov (United States)

    Shih, W.-H.; Stroud, D.

    1984-01-01

    A theoretical study of glass-forming trends and miscibility in mixtures of polystyrene spheres (polyballs) of different diameters, suspended in an aqueous solution, is presented. The polyballs are assumed to be charged and to interact via a Debye-Hueckel screened Coulomb potential. The Helmholtz free energy is calculated from a variational principle based on the Gibbs-Bogoliubov inequality, in which a mixture of hard spheres of different diameters is chosen as the reference system. It is found that when the charges of the two types of polyballs are sufficiently different, the variationally determined ratio of hard-sphere diameters differs substantially, leading to packing difficulties characteristic of glass formation. The experimentally observed range of glass formation corresponds to a ratio of hard-sphere diameters of 0.8 or less. Calculations of the free energy as a function of concentration indicate that the liquid polyball mixture is stable against the phase separation, even for widely different polyball charges.

  19. Two-dimensional function photonic crystals

    CERN Document Server

    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.

  20. Influence of preparation pathway on the glass forming ability

    DEFF Research Database (Denmark)

    Blaabjerg, Lasse Ingerslev; Lindenberg, Eleanor; Rades, Thomas

    2017-01-01

    The glass forming ability (GFA), i.e. the ease of amorphization of drugs, is mostly investigated using the critical cooling rate upon melt quenching to generate an amorphous product via the thermodynamic pathway. However, amorphous materials can also be prepared via the kinetic pathway by milling...... cooling rate will also have a low minimal milling time and is thus a good glass former........ In this case, the time required to generate an amorphous product is called the minimal milling time. This study investigates the correlation of the GFA between these two pathways. Eighteen compounds were chosen and their GFA was investigated by determining the critical cooling rate and the minimal milling time....... It was observed that drugs, which turned amorphous upon cooling from the melt at slow cooling rates also had a low minimal milling time and vice versa. It was found that the GFA of the studied set of drugs was inherent and independent of the preparation method. It can be concluded that a drug with low critical...

  1. 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.

  2. Application of Two-dimensional Liquid Chromatography Analysis of Drugs and Toxicants%二维液相色谱在药物和毒物分析中的应用进展

    Institute of Scientific and Technical Information of China (English)

    萧伟斌; 蹇阳; 李桦

    2014-01-01

    Qualitative and quantitative analyses of biological samples containing drugs, toxicants and endogenous substances play an important role in the researches of life sciences, as well as in new drug discovery and development. Biological samples are characterized by complex matrix, multiple endogenous interferences, significantly lower concentrations of measured analytes compared to endogenous components and small sampling volume. Consequently, it often requires bioanalysis methods with superior specificity, high sensitivity and good reproducibility. The two-dimensional liquid chromatography (2D-LC) technique, which allows for high peak capacity, significant reduced matrix effect and carryover of complex matrix samples and automated sample pre-treatment and analysis, has been the powerful solution to the separation and analysis of biological sample and widely applied to environment, food and pharmaceutical analysis. On the basis of introduction of the principle and equipments of 2D-LC, the application of this technique in the pharmacokinetics, toxicological and biological study was reviewed.%生物样品中药物、毒物及内源性物质的定性与定量分析在生命科学和药物研发中发挥重要作用。生物样品的基质复杂,干扰物多,待测物浓度与内源性物质相比明显偏低,且样品取样量少,因此要求生物分析方法的特异性强、灵敏度高、重现性好。二维液相色谱技术具有峰容量大、显著降低复杂样品的基质效应和残留现象,及可以实现样品分析的自动化等特点,已成为生物样品分离分析的有力工具,在环境、食品和药物分析中得到广泛应用。本文在简要介绍了二维液相色谱原理装置基础上,对其在生物样品中药物、毒物和内源性物质分析中的应用进展进行了综述。

  3. Simultaneous analysis of aspartame and its hydrolysis products of Coca-Cola Zero by on-line postcolumn derivation fluorescence detection and ultraviolet detection coupled two-dimensional high-performance liquid chromatography.

    Science.gov (United States)

    Cheng, Cheanyeh; Wu, Shing-Chen

    2011-05-20

    An innovative two-dimensional high-performance liquid chromatography system was developed for the simultaneous analysis of aspartame and its hydrolysis products of Coca-Cola Zero. A C8 reversed-phase chromatographic column with ultraviolet detection was used as the first dimension for the determination of aspartame, and a ligand-exchange chromatographic column with on-line postcolumn derivation fluorescence detection was employed as the second dimension for the analysis of amino acid enantiomers. The fluorimetric derivative reagent of amino acid enantiomers was o-phthaldialdehyde. The hydrolysis of aspartame in Coca-Cola Zero was induced by electric-heating or microwave heating. Aspartame was quantified by the matrix matched external standard calibration curve with a linear concentration range of 0-50 μg mL(-1) (r(2)=0.9984). The limit of detection (LOD) and the limit of quantification (LOQ) were 1.3 μg mL(-1) and 4.3 μg mL(-1), respectively. The amino acid enantiomers was analyzed by the matrix matched internal standard calibration method (D-leucine as the internal standard) with a linear concentration range of 0-10 μg mL(-1) (r(2)=0.9988-0.9997). The LODs and LOQs for L- and D-aspartic acid and L- and D-phenylalanine were 0.16-0.17 μg mL(-1) and 0.52-0.55 μg mL(-1), respectively, that was 12-13 times more sensitive than ultraviolet detection. The overall analysis accuracy for aspartame and amino acid enantiomers was 90.2-99.2% and 90.4-96.2%, respectively. The overall analysis precision for aspartame and amino acid enantiomers was 0.1-1.7% and 0.5-6.7%, respectively. Generally, the extent of aspartame hydrolysis increases with the increase of electro-thermal temperature, microwave power, and the duration of hydrolysis time. D-aspartic acid and D-phenylalanine can be observed with the electro-thermal racemization at the hydrolysis temperature 120°C for 1 day and only D-aspartic acid can be observed at the hydrolysis temperature 90°C for 2 and 3 days. For

  4. 二维三组元液体系统声子晶体带结构研究%Study on Acoustic Band Gaps of phononic crystals in Two-dimensional Three-component Liquid System

    Institute of Scientific and Technical Information of China (English)

    葛丽婷; 杨海; 谢永刚; 黄鉴; 陈建兵; 戴祖诚

    2014-01-01

    Based on the plane wave expansion method (PWE),sonic wave band gaps in the two-dimensional three-component phononic crystals composed of square array of tetrachloromethane square columns(cylinders)coa-ted by water layers embedded in a mercury host are investigated.The calculation results show that the cylinders more easily get higher frequency band gaps than square rods do at the same filling fraction.The calculations also ex-hibit that whether the shape of the scatters is square columns or cylinders,the relative bandwidth of the first gap is stable,but the relative width of the second gap is greatly influenced by the shape of the scatters.The relative band-width of the first gap with square becomes narrower than that with circular.It is suggested that the frequencies of the band gaps can be controlled by the shape of the scattering obj ects.This could be of importance in designing pho-nonic crystals of liquid systems and finding their optimum operation conditions.%基于平面波展开法,研究了水-四氯化碳/水银和四氯化碳-水/水银两种体系的二维三组元结构的声波带隙,结果表明,在相同填充率下,圆柱形插入体比正方柱形插入体更易得到较高频率范围内的完全带隙;无论插入体的形状为方柱或圆柱,第一带隙相对宽度的变化都是稳定的,但对第二带隙相对宽度的影响较大;圆柱形插入体的第一完全带隙的相对宽度变窄的速率比正方形插入体的快。该文提出通过散射体横切面积的几何形状来控制带隙频率。这对设计液体系统的声子晶体有实际意义。

  5. Use of on-line stop-flow heart-cutting two-dimensional high performance liquid chromatography for simultaneous determination of 12 major constituents in tartary buckwheat (Fagopyrum tataricum Gaertn).

    Science.gov (United States)

    Ren, Qiang; Wu, Caisheng; Zhang, Jinlan

    2013-08-23

    The use of two-dimensional liquid chromatography (2D-LC) for quantification studies presents challenges with respect to repeatability, precision, and robustness. The present study used an on-line stop-flow heart-cutting 2D-LC system to determine 12 chemical constituents in tartary buckwheat. A combination of various stationary phases was developed and bridged using two switch valves as the interface. Hydrophilic interaction chromatography was chosen for separation in the first dimension ((1)D), and mixed mode stationary phases (an amide polar-embedded phase and alkyl-phenyl phase) were used in parallel for separation in the second dimension ((2)D). The mobile phase comprised acetonitrile and water containing 0.03% aqueous phosphoric acid. The sample was separated into two fractions on the (1)D column (HILIC-10 column) using 5% acetonitrile. One fraction, mainly comprising flavonoids, was directly eluted onto the head of (2)D column (Polar Advantage II column) and further separated using a linear gradient of 11-23% acetonitrile. The second fraction, containing phenylpropanoid glycosides, was trapped on the (1)D column. This retained fraction was back-flushed onto the (2)D column (Phenyl-1 column) and separated using a linear gradient of 35-43% acetonitrile. An on-line stop-flow heart-cutting 2D-LC system was successfully developed with column switching and back-flush. This 2D-LC system was validated and was able to simultaneously determine 12 major components in tartary buckwheat: seven flavonoids, four phenylpropanoid glycosides, and N-trans-feruloyltyramine. The system showed good performance with respect to linearity (r>0.996), repeatability (RSD, relative standard deviation<3.4%), intra-day and inter-day precision (RSD<4.6%), recovery (91.2-108%), limit of detection (LOD) (0.05-0.21μg/mL), and limit of quantification (LOQ) (0.10-0.41μg/mL). The on-line stop-flow heart-cutting 2D-LC system offers a potential approach to analyze compounds, which have similar

  6. Hadamard States and Two-dimensional Gravity

    CERN Document Server

    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.

  7. Topological defects in two-dimensional crystals

    OpenAIRE

    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.

  8. Strongly interacting two-dimensional Dirac fermions

    NARCIS (Netherlands)

    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

  9. 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....

  10. Mapping two-dimensional polar active fluids to two-dimensional soap and one-dimensional sandblasting

    Science.gov (United States)

    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.

  11. In-situ study of crystallization kinetics in ternary bulk metallic glass alloys with different glass forming abilities

    Science.gov (United States)

    Lan, Si; Wei, Xiaoya; Zhou, Jie; Lu, Zhaoping; Wu, Xuelian; Feygenson, Mikhail; Neuefeind, Jörg; Wang, Xun-Li

    2014-11-01

    In-situ transmission electron microcopy and time-resolved neutron diffraction were used to study crystallization kinetics of two ternary bulk metallic glasses during isothermal annealing in the supercooled liquid region. It is found that the crystallization of Zr56Cu36Al8, an average glass former, follows continuous nucleation and growth, while that of Zr46Cu46Al8, a better glass former, is characterized by site-saturated nucleation, followed by slow growth. Possible mechanisms for the observed differences and the relationship to the glass forming ability are discussed.

  12. In-situ study of crystallization kinetics in ternary bulk metallic glass alloys with different glass forming abilities

    Energy Technology Data Exchange (ETDEWEB)

    Lan, Si; Wei, Xiaoya; Wu, Xuelian; Wang, Xun-Li, E-mail: xlwang@cityu.edu.hk [Department of Physics and Materials Science, City University of Hong Kong, 83 Tat Chee Ave., Kowloon (Hong Kong); Zhou, Jie; Lu, Zhaoping [State Key Laboratory for Advanced Metals and Materials, University of Science and Technology Beijing, Beijing (China); Feygenson, Mikhail; Neuefeind, Jörg [Chemical and Engineering Materials Division, Oak Ridge National Laboratory, Oak Ridge, Tennessee 37831 (United States)

    2014-11-17

    In-situ transmission electron microcopy and time-resolved neutron diffraction were used to study crystallization kinetics of two ternary bulk metallic glasses during isothermal annealing in the supercooled liquid region. It is found that the crystallization of Zr{sub 56}Cu{sub 36}Al{sub 8}, an average glass former, follows continuous nucleation and growth, while that of Zr{sub 46}Cu{sub 46}Al{sub 8}, a better glass former, is characterized by site-saturated nucleation, followed by slow growth. Possible mechanisms for the observed differences and the relationship to the glass forming ability are discussed.

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

    Science.gov (United States)

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

    2012-08-31

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

  14. Two Dimensional Plasmonic Cavities on Moire Surfaces

    Science.gov (United States)

    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.

  15. Two-dimensional function photonic crystals

    Science.gov (United States)

    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.

  16. Two-Dimensional Planetary Surface Lander

    Science.gov (United States)

    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.

  17. Linking Equilibrium and Nonequilibrium Dynamics in Glass-Forming Systems

    DEFF Research Database (Denmark)

    Mauro, John C.; Guo, Xiaoju; Smedskjær, Morten Mattrup

    , we show that the nonequilibrium glassy dynamics are intimately connected with the equilibrium liquid dynamics. This is accomplished by deriving a new functional form for the thermal history dependence of nonequilibrium viscosity, which is validated against experimental measurements of industrial......Understanding nonequilibrium glassy dynamics is of great scientific and technological importance. However, prediction of the temperature, thermal history, and composition dependence of nonequilibrium viscosity is challenging due to the noncrystalline and nonergodic nature of the glassy state. Here...

  18. Localization model description of diffusion and structural relaxation in glass-forming Cu-Zr alloys

    Science.gov (United States)

    Douglas, Jack F.; Pazmino Betancourt, Beatriz A.; Tong, Xuhang; Zhang, Hao

    2016-05-01

    We test the localization model (LM) prediction of a parameter-free relationship between the α-structural relaxation time τ α and the Debye-Waller factor    for a series of simulated glass-forming Cu-Zr metallic liquids having a range of alloy compositions. After validating this relationship between the picosecond (‘fast’) and long-time relaxation dynamics over the full range of temperatures and alloy compositions investigated in our simulations, we show that it is also possible to estimate the self-diffusion coefficients of the individual atomic species (D Cu, D Zr) and the average diffusion coefficient D using the LM, in conjunction with the empirical fractional Stokes-Einstein (FSE) relation linking these diffusion coefficients to τ α . We further observe that the fragility and extent of decoupling between D and τ α strongly correlate with    at the onset temperature of glass-formation T A where particle caging and the breakdown of Arrhenius relaxation first emerge.

  19. Possible causes of the change of dynamics in glass-forming materials subjected to reduced dimension

    Energy Technology Data Exchange (ETDEWEB)

    Ngai, K.L. [Naval Research Lab., Washington, DC (United States); Rizos, A.K. [Univ. of Crete (Greece)

    1997-12-31

    There is currently many ongoing investigations of the change in the glass transition temperature when a material is reduced in dimension from the normal bulk state. The reduction in dimension can be accomplished by casting the material as thin films with or without a substrate or putting it in nanometer size pores. In this work, the authors explore possible causes of the change in dynamics of the bulk material when the glass-former is subjected to such modifications. The existence of a growing cooperative length scale L(T) with decreasing temperature in bulk fragile glass-forming liquids reaching the size of approximately 1.5--2.0 nm at the glass transition temperature is the basis of the consideration. When the reduced dimension is comparable to L(T{sub g}), cooperative dynamics within a length scale equal to L(T{sub g}) can no longer be maintained in all three dimensions throughout the sample. The imposed reduction of the cooperative length scale speeds up the dynamics and causes a reduction of the glass transition temperature. For polymeric glass-formers particularly at higher molecular weights, reduction of one dimension in thin films engenders orientation of the polymer chains when their radius of gyration becomes comparable to the film thickness. The latter is known to cause also a reduction of the glass transition temperature.

  20. New Zr-based glass-forming alloys containing Gd and Sm

    Directory of Open Access Journals (Sweden)

    Luis César Rodríguez Aliaga

    2012-10-01

    Full Text Available The effect of minor additions of Gd and Sm on the glass-forming ability (GFA of Cu-Zr-Al alloys is investigated here. The rationale for these additions is the fact that the atomic size distribution can increase GFA by changing the topology of the alloy as a function of cluster stability, which is tied to the electronegativity and ionic and covalent nature of alloys. Ingots with nominal compositions of Cu40Zr49Al10.5Gd0.5, Cu40Zr49Al10.5Sm0.5 and Cu39Zr50Al9Gd2 were prepared by arc-melting and rapidly quenched ribbons were produced by the melt-spinning technique. Bulk samples with a thickness of up to 10 mm were also produced by casting, using a wedge-shaped copper mold. The samples were characterized by differential scanning calorimetry, X-ray diffractometry and scanning electron microscopy. The three compositions showed a fully amorphous structure in the ribbons and a predominantly homogeneous amorphous structure with a thickness of up to 10 mm, although some gadolinium oxide crystals as well as samarium compounds were found to be scattered in the amorphous matrix in 5-mm-thick samples. The amorphous phases in the alloys showed high thermal stability with a supercooled liquid region (ΔTx of about 70 K.

  1. Thermodynamics and fragility of glass-forming alloys

    Energy Technology Data Exchange (ETDEWEB)

    Battezzati, L., E-mail: livio.battezzati@unito.it [Dipartimento di Chimica e Centro NIS, Università di Torino, Via P. Giuria 7, 10125 Torino (Italy); Dalla Fontana, G. [Dipartimento di Chimica e Centro NIS, Università di Torino, Via P. Giuria 7, 10125 Torino (Italy)

    2014-02-15

    Highlights: ► Thermodynamic and dynamic properties of metallic melts compared with those of other glass formers. ► Relationships between ΔS{sub g}/ΔC{sub p,g} and relevant temperatures for the glass demonstrated. ► Correspondence with either hyperbolic or Gaussian distribution of the states in the PEL shown. ► Correlations allow estimate of unknown quantities and pinpoint peculiar behavior of liquid. -- Abstract: The existing correlation between the extensive properties, ΔH and ΔS, the enthalpy and entropy difference between liquid and crystal phases has been checked to relate metallic glasses to other classes of amorphous materials. Expressing the specific heat difference, ΔC{sub p}, of molten and crystalline metallic glass-formers as a function of temperature with different functional trends, parametric expressions of fragility are derived using relevant temperatures for alloys. It is shown that relationships between the ΔS{sub g}/ΔC{sub p,g} ratio and such temperatures are useful to estimate unknown quantities when the experimental determination of the specific heat is possible. Thermodynamic indicators of fragility are compared to the kinetic fragility obtained from viscosity data accounting for the estimated errors on parameters which are derived from extrapolations. The outcome of the analysis indicates that a relationship between thermodynamic and kinetic parameters exists. Moreover a systematic scatter for some alloys indicates a diverse behavior which can be ascribed to structure modification either in the liquid or in the solid reference state.

  2. Density and glass forming ability in amorphous atomic alloys: The role of the particle softness

    Science.gov (United States)

    Douglass, Ian; Hudson, Toby; Harrowell, Peter

    2016-04-01

    A key property of glass forming alloys, the anomalously small volume difference with respect to the crystal, is shown to arise as a direct consequence of the soft repulsive potentials between metals. This feature of the inter-atomic potential is demonstrated to be responsible for a significant component of the glass forming ability of alloys due to the decrease in the enthalpy of fusion and the associated depression of the freezing point.

  3. Investigating the atomic level influencing factors of glass forming ability in NiAl and CuZr metallic glasses

    Science.gov (United States)

    Sedighi, Sina; Kirk, Donald Walter; Singh, Chandra Veer; Thorpe, Steven John

    2015-09-01

    Bulk metallic glasses are a relatively new class of amorphous metal alloy which possess unique mechanical and magnetic properties. The specific concentrations and combinations of alloy elements needed to prevent crystallization during melt quenching remains poorly understood. A correlation between atomic properties that can explain some of the previously identified glass forming ability (GFA) anomalies of the NiAl and CuZr systems has been identified, with these findings likely extensible to other transition metal-transition metal and transition metal-metalloid (TM-M) alloy classes as a whole. In this work, molecular dynamics simulation methods are utilized to study thermodynamic, kinetic, and structural properties of equiatomic CuZr and NiAl metallic glasses in an attempt to further understand the underlying connections between glass forming ability, nature of atomic level bonding, short and medium range ordering, and the evolution of structure and relaxation properties in the disordered phase. The anomalous breakdown of the fragility parameter as a useful GFA indicator in TM-M alloy systems is addressed through an in-depth investigation of bulk stiffness properties and the evolution of (pseudo)Gruneisen parameters over the quench domain, with the efficacy of other common glass forming ability indicators similarly being analyzed through direct computation in respective CuZr and NiAl systems. Comparison of fractional liquid-crystal density differences in the two systems revealed 2-3 times higher values for the NiAl system, providing further support for its efficacy as a general purpose GFA indicator.

  4. Investigating the atomic level influencing factors of glass forming ability in NiAl and CuZr metallic glasses.

    Science.gov (United States)

    Sedighi, Sina; Kirk, Donald Walter; Singh, Chandra Veer; Thorpe, Steven John

    2015-09-21

    Bulk metallic glasses are a relatively new class of amorphous metal alloy which possess unique mechanical and magnetic properties. The specific concentrations and combinations of alloy elements needed to prevent crystallization during melt quenching remains poorly understood. A correlation between atomic properties that can explain some of the previously identified glass forming ability (GFA) anomalies of the NiAl and CuZr systems has been identified, with these findings likely extensible to other transition metal-transition metal and transition metal-metalloid (TM-M) alloy classes as a whole. In this work, molecular dynamics simulation methods are utilized to study thermodynamic, kinetic, and structural properties of equiatomic CuZr and NiAl metallic glasses in an attempt to further understand the underlying connections between glass forming ability, nature of atomic level bonding, short and medium range ordering, and the evolution of structure and relaxation properties in the disordered phase. The anomalous breakdown of the fragility parameter as a useful GFA indicator in TM-M alloy systems is addressed through an in-depth investigation of bulk stiffness properties and the evolution of (pseudo)Gruneisen parameters over the quench domain, with the efficacy of other common glass forming ability indicators similarly being analyzed through direct computation in respective CuZr and NiAl systems. Comparison of fractional liquid-crystal density differences in the two systems revealed 2-3 times higher values for the NiAl system, providing further support for its efficacy as a general purpose GFA indicator.

  5. Investigating the atomic level influencing factors of glass forming ability in NiAl and CuZr metallic glasses

    Energy Technology Data Exchange (ETDEWEB)

    Sedighi, Sina; Kirk, Donald Walter; Singh, Chandra Veer, E-mail: chandraveer.singh@utoronto.ca; Thorpe, Steven John [Department of Materials Science and Engineering, University of Toronto, Room 140, 184 College Street, Toronto, Ontario M5S 3E4 (Canada)

    2015-09-21

    Bulk metallic glasses are a relatively new class of amorphous metal alloy which possess unique mechanical and magnetic properties. The specific concentrations and combinations of alloy elements needed to prevent crystallization during melt quenching remains poorly understood. A correlation between atomic properties that can explain some of the previously identified glass forming ability (GFA) anomalies of the NiAl and CuZr systems has been identified, with these findings likely extensible to other transition metal–transition metal and transition metal–metalloid (TM–M) alloy classes as a whole. In this work, molecular dynamics simulation methods are utilized to study thermodynamic, kinetic, and structural properties of equiatomic CuZr and NiAl metallic glasses in an attempt to further understand the underlying connections between glass forming ability, nature of atomic level bonding, short and medium range ordering, and the evolution of structure and relaxation properties in the disordered phase. The anomalous breakdown of the fragility parameter as a useful GFA indicator in TM–M alloy systems is addressed through an in-depth investigation of bulk stiffness properties and the evolution of (pseudo)Gruneisen parameters over the quench domain, with the efficacy of other common glass forming ability indicators similarly being analyzed through direct computation in respective CuZr and NiAl systems. Comparison of fractional liquid-crystal density differences in the two systems revealed 2-3 times higher values for the NiAl system, providing further support for its efficacy as a general purpose GFA indicator.

  6. Interpolation by two-dimensional cubic convolution

    Science.gov (United States)

    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.

  7. Strongly correlated two-dimensional plasma explored from entropy measurements.

    Science.gov (United States)

    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.

  8. 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.

  9. Two dimensional topology of cosmological reionization

    CERN Document Server

    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.

  10. Two-dimensional x-ray diffraction

    CERN Document Server

    He, Bob B

    2009-01-01

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

  11. 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...

  12. Mobility anisotropy of two-dimensional semiconductors

    Science.gov (United States)

    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.

  13. Towards two-dimensional search engines

    OpenAIRE

    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...

  14. Glass Forming Ability and Magnetic Property of Fe74Al4Sn2(PSiB)20 Amorphous Alloy

    Institute of Scientific and Technical Information of China (English)

    CHEN Fei-fei; ZHOU Shao-xiong

    2004-01-01

    Amorphous ribbons of Fe74Al4Sn2(PSiB)20 alloy have been synthesized by melt spinning and axial design method. The thermal properties of the amorphous ribbons have been measured by differential scanning calorimeter (DSC). The DSC results show that the Fe74Al4Sn2P12Si4B4 amorphous alloy has relatively wider supercooled liquid region with a temperature interval of 40.38 K (ΔTx=Tx-Tg). The alloys with a higher phosphorous content in the metalloid element composition triangle of Fe74Al4Sn2(PSiB)20 have high glass forming ability. The amorphous alloys also show good magnetic properties in which Fe74Al4Sn2P6.67Si6.67B6.67 alloy has a large maximum permeability (μm), Fe78Al4Sn2P3Si3B10 alloy exhibits a high square ratio (Br/B10) and Fe74Al4Sn2P4Si12B4 shows a low core loss (P0.5/1.3T). High glass forming ability and good magnetic properties make Fe74Al4Sn2(PSiB)20 amorphous alloys valuable in future research.

  15. Gibbs Free Energy and Activation Energy of ZrTiAlNiCuSn Bulk Glass Forming Alloys

    Institute of Scientific and Technical Information of China (English)

    Jianfei SUN; Jun SHEN; Zhenye ZHU; Gang WANG; Dawei XING; Yulai GAO; Bide ZHOU

    2004-01-01

    The Gibbs free energy differences between the supercooled liquid and the crystalline mixture for the (Zr52.5Ti5Al10- Ni14.6Cu17.9)(100-x)/100Snx ·(x=0, 1, 2, 3, 4 and 5) glass forming alloys are estimated by introducing the equation proposed by Thompson, Spaepen and Turnbull. It can be seen that the Gibbs free energy differences decrease first as the increases of Sn addition smaller than 3, then followed by a decrease due to the successive addition of Sn larger than 3, indicating that the thermal stabilities of these glass forming alloys increase first and then followed by a decrease owing to the excessive addition of Sn. Furthermore, the activation energy of Zr52.5Ti5Al10Ni14.6Cu17.9 and (Zr5 2.5Ti5 Al10 Ni14.6 Cu 17.9)0.97Sn3 was evaluated by Kissinger equation. It is noted that the Sn addition increases the activation energies for glass transition and crystallization, implying that the higher thermal stability can be obtained by appropriate addition of Sn.

  16. Piezoelectricity in Two-Dimensional Materials

    KAUST Repository

    Wu, Tao

    2015-02-25

    Powering up 2D materials: Recent experimental studies confirmed the existence of piezoelectricity - the conversion of mechanical stress into electricity - in two-dimensional single-layer MoS2 nanosheets. The results represent a milestone towards embedding low-dimensional materials into future disruptive technologies. © 2015 Wiley-VCH Verlag GmbH & Co. KGaA.

  17. 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.

  18. 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.

  19. A novel two dimensional particle velocity sensor

    NARCIS (Netherlands)

    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

  20. 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.

  1. Two-dimensional magma-repository interactions

    NARCIS (Netherlands)

    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

  2. Two-dimensional subwavelength plasmonic lattice solitons

    CERN Document Server

    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

  3. 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...

  4. Glass Forming Ability of Amorphous Drugs Investigated by Continuous Cooling and Isothermal Transformation.

    Science.gov (United States)

    Blaabjerg, Lasse I; Lindenberg, Eleanor; Löbmann, Korbinian; Grohganz, Holger; Rades, Thomas

    2016-09-06

    The aim of this study was to investigate the glass forming ability of 12 different drugs by the determination of continuous cooling and isothermal transformation diagrams in order to elucidate if an inherent differentiation between the drugs with respect to their the glass forming ability can be made. Continuous-cooling-transformation (CCT) and time-temperature-transformation (TTT) diagrams of the drugs were developed in order to predict the critical cooling rate necessary to convert the drug from the melt into an amorphous form. While TTT diagrams overestimated the actual critical cooling rate, they allowed an inherent differentiation of glass forming ability for the investigated drugs into drugs that are extremely difficult to amorphize (>750 °C/min), drugs that require modest cooling rates (>10 °C/min), and drugs that can be made amorphous even at very slow cooling rates (>2 °C/min). Thus, the glass forming ability can be predicted by the use of TTT diagrams. In contrast to TTT diagrams, CCT diagrams may not be suitable for small organic molecules due to poor separation of exothermic events, which makes it difficult to determine the zone of recrystallization. In conclusion, this study shows that glass forming ability of drugs can be predicted by TTT diagrams.

  5. Effect of component substitution on the atomic dynamics in glass-forming binary metallic melts

    Science.gov (United States)

    Nowak, B.; Holland-Moritz, D.; Yang, F.; Voigtmann, Th.; Evenson, Z.; Hansen, T. C.; Meyer, A.

    2017-08-01

    We investigate the substitution of early transition metals (Zr, Hf, and Nb) in Ni-based binary glass-forming metallic melts and the impact on structural and dynamical properties by using a combination of neutron scattering, electrostatic levitation (ESL), and isotopic substitution. The self-diffusion coefficients measured by quasielastic neutron scattering (QENS) identify a sluggish diffusion as well as an increased activation energy by almost a factor of 2 for Hf35Ni65 compared to Zr36Ni64 . This finding can be explained by the locally higher packing density of Hf atoms in Hf35Ni65 compared to Zr atoms in Zr36Ni64 , which has been derived from interatomic distances by analyzing the measured partial structure factors. Furthermore, QENS measurements of liquid Hf35Ni65 prepared with 60Ni , which has a vanishing incoherent scattering cross section, have demonstrated that self-diffusion of Hf is slowed down compared to the concentration weighted self-diffusion of Hf and Ni. This implies a dynamical decoupling between larger Hf and smaller Ni atoms, which can be related to a saturation effect of unequal atomic nearest-neighbor pairs, that was observed recently for Ni-rich compositions in Zr-Ni metallic melts. In order to establish a structure-dynamics relation, measured partial structure factors have been used as an input for mode-coupling theory (MCT) of the glass transition to calculate self-diffusion coefficients for the different atomic components. Remarkably, MCT can reproduce the increased activation energy for Hf35Ni65 as well as the dynamical decoupling between Hf and Ni atoms.

  6. Relationship between topological order and glass forming ability in densely packed enstatite and forsterite composition glasses.

    Science.gov (United States)

    Kohara, S; Akola, J; Morita, H; Suzuya, K; Weber, J K R; Wilding, M C; Benmore, C J

    2011-09-06

    The atomic structures of magnesium silicate melts are key to understanding processes related to the evolution of the Earth's mantle and represent precursors to the formation of most igneous rocks. Magnesium silicate compositions also represent a major component of many glass ceramics, and depending on their composition can span the entire fragility range of glass formation. The silica rich enstatite (MgSiO(3)) composition is a good glass former, whereas the forsterite (Mg(2)SiO(4)) composition is at the limit of glass formation. Here, the structure of MgSiO(3) and Mg(2)SiO(4) composition glasses obtained from levitated liquids have been modeled using Reverse Monte Carlo fits to diffraction data and by density functional theory. A ring statistics analysis suggests that the lower glass forming ability of the Mg(2)SiO(4) glass is associated with a topologically ordered and very narrow ring distribution. The MgO(x) polyhedra have a variety of irregular shapes in MgSiO(3) and Mg(2)SiO(4) glasses and a cavity analysis demonstrates that both glasses have almost no free volume due to a large contribution from edge sharing of MgO(x)-MgO(x) polyhedra. It is found that while the atomic volume of Mg cations in the glasses increases compared to that of the crystalline phases, the number of Mg-O contacts is reduced, although the effective chemical interaction of Mg(2+) remains similar. This unusual structure-property relation of Mg(2)SiO(4) glass demonstrates that by using containerless processing it may be possible to synthesize new families of dense glasses and glass ceramics with zero porosity.

  7. 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.

  8. Numerical Simulation of Two-dimensional Nonlinear Sloshing Problems

    Institute of Scientific and Technical Information of China (English)

    2005-01-01

    Numerical simulation of a two-dimensional nonlinearsloshing problem is preceded by the finite element method. Two theories are used. One is fully nonlinear theory; the other is time domain second order theory. A liquid sloshing in a rectangular container subjected to a horizontal excitation is simulated using these two theories. Numerical results are obtained and comparisons are made. It is found that a good agreement is obtained for the case of small amplitude oscillation. For the situation of large amplitude excitation, although the differences between using the two theories are obvious the second order solution can still exhibit typical nonlinear features of nonlinear wave.

  9. Finite Element Analysis to Two-Dimensional Nonlinear Sloshing Problems

    Institute of Scientific and Technical Information of China (English)

    严承华; 王赤忠; 程尔升

    2001-01-01

    A two-dimensional nonlinear sloshing problem is analyzed by means of the fully nonlinear theory and time domainsecond order theory of water waves. Liquid sloshing in a rectangular container subjected to a horizontal excitation is sim-ulated by the finite element method. Comparisons between the two theories are made based on their numerical results. Itis found that good agreement is obtained for the case of small amplitude oscillation and obvious differences occur forlarge amplitude excitation. Even though, the second order solution can still exhibit typical nonlinear features ofnonlinear wave and can be used instead of the fully nonlinear theory.

  10. Quantum skyrmions in two-dimensional chiral magnets

    Science.gov (United States)

    Takashima, Rina; Ishizuka, Hiroaki; Balents, Leon

    2016-10-01

    We study the quantum mechanics of magnetic skyrmions in the vicinity of the skyrmion-crystal to ferromagnet phase boundary in two-dimensional magnets. We show that the skyrmion excitation has an energy dispersion that splits into multiple bands due to the combination of magnus force and the underlying lattice. Condensation of the skyrmions can give rise to an intermediate phase between the skyrmion crystal and ferromagnet: a quantum liquid, in which skyrmions are not spatially localized. We show that the critical behavior depends on the spin size S and the topological number of the skyrmion. Experimental signatures of quantum skyrmions in inelastic neutron-scattering measurements are also discussed.

  11. A Direct Two-Dimensional Pressure Formulation in Molecular Dynamics

    CERN Document Server

    YD, Sumith

    2016-01-01

    Two-dimensional (2D) pressure field estimation in molecular dynamics (MD) simulations has been done using three-dimensional (3D) pressure field calculations followed by averaging, which is computationally expensive due to 3D convolutions. In this work, we develop a direct 2D pressure field estimation method which is much faster than 3D methods without losing accuracy. The method is validated with MD simulations on two systems: a liquid film and a cylindrical drop of argon suspended in surrounding vapor.

  12. Electronics based on two-dimensional materials.

    Science.gov (United States)

    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.

  13. Two-dimensional ranking of Wikipedia articles

    Science.gov (United States)

    Zhirov, A. O.; Zhirov, O. V.; Shepelyansky, D. L.

    2010-10-01

    The Library of Babel, described by Jorge Luis Borges, stores an enormous amount of information. The Library exists ab aeterno. Wikipedia, a free online encyclopaedia, becomes a modern analogue of such a Library. Information retrieval and ranking of Wikipedia articles become the challenge of modern society. While PageRank highlights very well known nodes with many ingoing links, CheiRank highlights very communicative nodes with many outgoing links. In this way the ranking becomes two-dimensional. Using CheiRank and PageRank we analyze the properties of two-dimensional ranking of all Wikipedia English articles and show that it gives their reliable classification with rich and nontrivial features. Detailed studies are done for countries, universities, personalities, physicists, chess players, Dow-Jones companies and other categories.

  14. Two-Dimensional NMR Lineshape Analysis

    Science.gov (United States)

    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.

  15. Towards two-dimensional search engines

    CERN Document Server

    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.

  16. Toward two-dimensional search engines

    Science.gov (United States)

    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.

  17. A two-dimensional Dirac fermion microscope

    Science.gov (United States)

    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.

  18. A two-dimensional Dirac fermion microscope.

    Science.gov (United States)

    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.

  19. Effects of Microalloying on Glass Forming Ability and Thermodynamic Fragility of Cu-Pr-Based Amorphous Alloys

    Institute of Scientific and Technical Information of China (English)

    2007-01-01

    The effects of microalloying of Ti and B on the glass formation of Cu60Pr30Ni10Al10-2xTixBx(x=0, 0.05%(atom fraction)) amorphous alloys was investigated using differential scanning calorimetry (DSC) and X-ray diffraction (XRD). XRD analysis showed that microalloying with 0.05% Ti and 0.05% B improved the glass forming ability (GFA). The smaller difference in the Gibbs free energy between the liquid and crystalline states at the glass transition temperature (ΔGl-x (Tg)) and the smaller thermodynamic fragility index (ΔSf/Tm, where ΔSf is the entropy of fusion, and Tm is the melting temperature) after microalloying correlated with the higher GFA.

  20. 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.

  1. Two dimensional fermions in four dimensional YM

    CERN Document Server

    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.

  2. 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....

  3. String breaking in two-dimensional QCD

    CERN Document Server

    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.

  4. Two-dimensional supramolecular electron spin arrays.

    Science.gov (United States)

    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.

  5. Two dimensional echocardiographic detection of intraatrial masses.

    Science.gov (United States)

    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.

  6. Structure of murine Ia antigens. Two dimensional electrophoretic analyses and high pressure liquid chromatography tryptic peptide maps of products of the I-A and I-E subregions and of an associated invariant polypeptide

    Energy Technology Data Exchange (ETDEWEB)

    McMillan, M.; Frelinger, J.A.; Jones, P.P.; Murphy, D.B.; McDevitt, H.O.; Hood, L.

    1981-04-01

    We demonstrate that an invariant polypeptide, first described by Jones et al. (21), co-immunoprecipitates with our Ia molecules, that its interaction with Ia polypeptides varies with haplotype, and that it is not a precursor of the Aalpha, Abeta, Ealpha, or Ebeta. polypeptides. We also show that the polypeptides that we have previously characterized are contaminated with very little, if any, invariant protein. Further, we have used our high-pressure liquid chromatography tryptic peptide map technique to formally map the genes encoding Aalpha, Abeta, and Ebeta to the I-A subregion using recombinant and F1 hybrid mice.

  7. Performance evaluation of a versatile multidimensional chromatographic preparative system based on three-dimensional gas chromatography and liquid chromatography-two-dimensional gas chromatography for the collection of volatile constituents.

    Science.gov (United States)

    Pantò, Sebastiano; Sciarrone, Danilo; Maimone, Mariarosa; Ragonese, Carla; Giofrè, Salvatore; Donato, Paola; Farnetti, Sara; Mondello, Luigi

    2015-10-23

    The present research deals with the multi-collection of the most important sesquiterpene alcohols belonging to sandalwood essential oil, as reported by the international regulations: (Z)-α-santalol, (Z)-α-trans bergamotol, (Z)-β-santalol, epi-(Z)-β-santalol, α-bisabolol, (Z)-lanceol, and (Z)-nuciferol. A versatile multidimensional preparative system, based on the hyphenation of liquid and gas chromatography techniques, was operated in the LC-GC-GC-prep or GC-GC-GC-prep configuration, depending on the concentration to be collected from the sample, without any hardware or software modification. The system was equipped with a silica LC column in combination with polyethylene glycol-poly(5% diphenyl/95% dimethylsiloxane)-medium polarity ionic liquid or β-cyclodextrin based GC stationary phases. The GC-GC-GC-prep configuration was exploited for the collection of four components, by using a conventional split/splitless injector, while the LC-GC-GC-prep approach was applied for three low abundant components (87%).

  8. Collective Modes in Two Dimensional Binary Yukawa Systems

    CERN Document Server

    Kalman, Gabor J; Donko, Zoltan; Golden, Kenneth I; Kyrkos, Stamatios

    2013-01-01

    We analyze via theoretical approaches and molecular dynamics simulations the collective mode structure of strongly coupled two-dimensional binary Yukawa systems, for selected density, mass and charge ratios, both in the liquid and crystalline solid phases. Theoretically, the liquid phase is described through the Quasi-Localized Charge Approximation (QLCA) approach, while in the crystalline phase we study the centered honeycomb and the staggered rectangular crystal structures through the standard harmonic phonon approximation. We identify "longitudinal" and "transverse" acoustic and optic modes and find that the longitudinal acoustic mode evolves from its weakly coupled counterpart in a discontinuous non-perturbative fashion. The low frequency acoustic excitations are governed by the oscillation frequency of the average atom, while the high frequency optic excitation frequencies are related to the Einstein frequencies of the systems.

  9. Laser engineered surfaces from glass forming alloy powder precursors : Microstructure and wear

    NARCIS (Netherlands)

    Matthews, D. T. A.; Ocelik, V.; Branagan, D.; de Hosson, J. Th. M.

    2009-01-01

    Fe-based metallic glass forming powders have been deposited on mild steel substrates using high power laser cladding. Coatings microstructures have been analysed by scanning- and transmission-electron microscopy and at varying substrate dilutions, have been found to comprise a 100 to 500 nm interden

  10. An Assessment of Binary Metallic Glasses: Correlations Between Structure, Glass Forming Ability and Stability (Preprint)

    Science.gov (United States)

    2011-07-01

    release; distribution unlimited. 1. Introduction It has long been suggested that metallic glass stability and glass-forming ability (GFA) are... magnetostriction of Co-Cr-Zr amorphous alloys’, Rapidly Quenched Metals, Proc. 4th International Conference on Rapidly Quenched Metals, Sendai, Japan, 861-864

  11. Weakly disordered two-dimensional Frenkel excitons

    Science.gov (United States)

    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.

  12. Two-dimensional photonic crystal surfactant detection.

    Science.gov (United States)

    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.

  13. Theory of two-dimensional transformations

    OpenAIRE

    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...

  14. Two-dimensional ranking of Wikipedia articles

    CERN Document Server

    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.

  15. Mobility anisotropy of two-dimensional semiconductors

    CERN Document Server

    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.

  16. 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....

  17. 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....

  18. Dynamics of film. [two dimensional continua theory

    Science.gov (United States)

    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.

  19. Two-dimensional gauge theoretic supergravities

    Science.gov (United States)

    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.

  20. 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.

  1. Two-dimensional shape memory graphene oxide

    Science.gov (United States)

    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.

  2. Existence and Stability of Two-Dimensional Compact-Like Discrete Breathers in Discrete Two-Dimensional Monatomic Square Lattices

    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.

  3. Optimal excitation of two dimensional Holmboe instabilities

    CERN Document Server

    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 ...

  4. Phonon hydrodynamics in two-dimensional materials.

    Science.gov (United States)

    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.

  5. Probabilistic Universality in two-dimensional Dynamics

    CERN Document Server

    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.

  6. 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.

  7. Two-dimensional heterostructures for energy storage

    Science.gov (United States)

    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.

  8. Rationally synthesized two-dimensional polymers.

    Science.gov (United States)

    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.

  9. Janus Spectra in Two-Dimensional Flows

    Science.gov (United States)

    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.

  10. Local doping of two-dimensional materials

    Science.gov (United States)

    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.

  11. 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.

  12. Two-dimensional fourier transform spectrometer

    Science.gov (United States)

    DeFlores, Lauren; Tokmakoff, Andrei

    2013-09-03

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

  13. 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.

  14. 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)

  15. Quantum creep in a highly crystalline two-dimensional superconductor

    Science.gov (United States)

    Saito, Yu; Kasahara, Yuichi; Ye, Jianting; Iwasa, Yoshihiro; Nojima, Tsutomu

    Conventional studies on quantum phase transitions, especially on superconductor-insulator or superconductor-metal-insulator transitions have been performed in deposited metallic thin films such as Bismuth or MoGe. Although the techniques of thin films deposition have been considerably improved, unintentional disorder such as impurities and deficiencies, generating the pinning centers, seems to still exist in such systems. The mechanical exfoliated highly crystalline two-dimensional material can be a good candidate to realize a less-disordered 2D superconductor with extremely weak pinning, combined with transfer method or ionic-liquid gating. We report on the quantum metal, namely, magnetic-field-induced metallic state observed in an ion-gated two-dimensional superconductor based on an ultra-highly crystalline layered band insulator, ZrNCl. We found that the superconducting state is extremely fragile against external magnetic fields; that is, zero resistance state immediately disappears, once an external magnetic field switches on. This is because the present system is relatively clean and the pinning potential is extremely weak, which cause quantum tunneling and flux flow of vortices, resulting in metallic ground state.

  16. Ageing, rheology and effective temperature in a glass-forming system

    CERN Document Server

    Barrat, J L

    2003-01-01

    In this paper, I review some of the recent results obtained, using molecular dynamics simulations, on the out-of-equilibrium behaviour of glass-forming systems. Both the ageing (evolution after a fast quench in the glassy phase) and the driven (evolution under uniform shear flow) situations are considered. The theoretical concept of effective temperature that was shown to characterize such nonequilibrium states well is also discussed.

  17. Cole-Cole law for critical dynamics in glass-forming liquids.

    Science.gov (United States)

    Sperl, Matthias

    2006-07-01

    Within the mode-coupling theory (MCT) for glassy dynamics, the asymptotic low-frequency expansions for the dynamical susceptibilities at critical points are compared to the expansions for the dynamic moduli; this shows that the convergence properties of the two expansions can be quite different. In some parameter regions, the leading-order expansion formula for the modulus describes the solutions of the MCT equations of motion outside the transient regime successfully; at the same time, the leading- and next-to-leading-order expansion formulas for the susceptibility fail. In these cases, one can derive a Cole-Cole law for the susceptibilities; and this law accounts for the dynamics for frequencies below the band of microscopic excitations and above the high-frequency part of the alpha peak. It is shown that this scenario explains the optical-Kerr-effect data measured for salol and benzophenone (BZP). For BZP it is inferred that the depolarized light-scattering spectra exhibit a wing for the alpha peak within the Gigahertz band. This wing results from the crossover of the von Schweidler law part of the alpha peak to the high-frequency part of the Cole-Cole peak; and this crossover can be described quantitatively by the leading-order formulas of MCT for the modulus.

  18. Comment on "Dynamic viscosity of a simple glass-forming liquid"

    DEFF Research Database (Denmark)

    Christensen, Tage Emil; Olsen, Niels Boye; Dyre, Jeppe;

    1996-01-01

    A Comment on the Letter by Narayanan Menon, Sidney R. Nagel, and David C. Venerus, Phys. Rev. Lett. 73, 963 (94). The authors of the Letter offer a Reply.......A Comment on the Letter by Narayanan Menon, Sidney R. Nagel, and David C. Venerus, Phys. Rev. Lett. 73, 963 (94). The authors of the Letter offer a Reply....

  19. Enhancement of glass-forming ability of Fe-based bulk metallic glasses with high saturation magnetic flux density

    Directory of Open Access Journals (Sweden)

    Mingxiao Zhang

    2012-06-01

    Full Text Available The effects of substituting Fe with Ni on thermal properties, glass-forming ability (GFA and magnetic properties of Fe76-xNixMo3.5P10C4B4Si2.5 (x = 0−30 at.% alloys were investigated in detail. The breadth of the supercooled liquid region was found to gradually increase from 42 to 55 K with increasing Ni content to 30 at.%. When x = 5 at.%, the alloy composition approached a eutectic point, resulting in an increase in GFA. As a result, FeNiMoPCBSi bulk metallic glasses with critical diameters up to 5.5 mm were successfully synthesized by copper mold casting. These glassy alloys exhibit a high saturation magnetic flux density of 0.75−1.21 T and excellent soft magnetic properties, i.e., low coercive force of 1.1−2.0 A/m, and high effective permeability of 14400−19700 at 1 kHz under a field of 1 A/m. The reasons for the high stability of the supercooled liquid, and the high GFA as well as excellent soft magnetic properties are discussed in this article.

  20. Structural origin of enhanced translational diffusion in two-dimensional hard-ellipse fluids.

    Science.gov (United States)

    Davatolhagh, S; Foroozan, S

    2012-06-01

    The static correlations and diffusive dynamics of hard ellipses are investigated in the isotropic and nematic phases by Monte Carlo simulation. In particular, an enhancement of the translational diffusion with respect to the rotational diffusion is observed at an onset concentration φ_{on} within the isotropic phase, which is explained in terms of the formation of unstable nematic-like regions with a mean lifetime that exceeds the characteristic time of diffusion at φ_{on}. The relevance to the onset of spatially heterogeneous dynamics in supercooled glass-forming liquids is discussed.

  1. 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....

  2. Conformal QED in two-dimensional topological insulators

    CERN Document Server

    Menezes, N; Smith, C Morais

    2016-01-01

    It has been shown recently that local four-fermion interactions on the edges of two-dimensional time-reversal-invariant topological insulators give rise to a new non-Fermi-liquid phase, called helical Luttinger liquid (HLL). In this work, we provide a first-principle derivation of this non-Fermi-liquid phase based on the gauge-theory approach. Firstly, we derive a gauge theory for the edge states by simply assuming that the interactions between the Dirac fermions at the edge are mediated by a quantum dynamical electromagnetic field. Here, the massless Dirac fermions are confined to live on the one-dimensional boundary, while the (virtual) photons of the U(1) gauge field are free to propagate in all the three spatial dimensions that represent the physical space where the topological insulator is embedded. We then determine the effective 1+1-dimensional conformal field theory (CFT) given by the conformal quantum electrodynamics (CQED). By integrating out the gauge field in the corresponding partition function, ...

  3. Perspective: Two-dimensional resonance Raman spectroscopy

    Science.gov (United States)

    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.

  4. Janus spectra in two-dimensional flows

    CERN Document Server

    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...

  5. Comparative Two-Dimensional Fluorescence Gel Electrophoresis.

    Science.gov (United States)

    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.

  6. Two-dimensional hexagonal semiconductors beyond graphene

    Science.gov (United States)

    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.

  7. Two-Dimensional Phononic Crystals: Disorder Matters.

    Science.gov (United States)

    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.

  8. Two-dimensional topological photonic systems

    Science.gov (United States)

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

    2017-09-01

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

  9. 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)

  10. Photodetectors based on two dimensional materials

    Science.gov (United States)

    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.

  11. 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....

  12. Predicting Two-Dimensional Silicon Carbide Monolayers.

    Science.gov (United States)

    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.

  13. Femtosecond two-dimensional spectroscopy of molecular motion in liquids

    NARCIS (Netherlands)

    Steffen, T; Duppen, K.

    1996-01-01

    Intermolecular motion in CS2 and benzene is investigated by femtosecond nonresonant four- and six-wave mixing. Impulsive stimulated six-wave mixing yields new information on dephasing of coherent nuclear motion, not accessible from four-wave mixing experiments. The results cannot be modeled by two i

  14. Interaction of two-dimensional magnetoexcitons

    Science.gov (United States)

    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} .

  15. Two-dimensional materials and their prospects in transistor electronics.

    Science.gov (United States)

    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.

  16. Two-dimensional photonic crystals from semiconductor material with polymer filled holes

    NARCIS (Netherlands)

    Van der Heijden, R.; Kjellander, C.; Carlström, C.-F.; Snijders, J.; Van der Heijden, R.W.; Bastiaansen, K.; Broer, D.; Karouta, F.; Nötzel, R.; Van der Drift, E.

    2006-01-01

    Polymer filling of the air holes of indiumphosphide based two-dimensional photonic crystals is reported. The filling is performed by infiltration with a liquid monomer and solidification of the infill in situ by thermal polymerization. Complete hole filling is obtained with infiltration under ambien

  17. Lattice gas dynamics: application to driven vortices in two dimensional superconductors.

    Science.gov (United States)

    Gotcheva, Violeta; Wang, Albert T J; Teitel, S

    2004-06-18

    A continuous time Monte Carlo lattice gas dynamics is developed to model driven steady states of vortices in two dimensional superconducting networks. Dramatic differences are found when compared to a simpler Metropolis dynamics. Subtle finite size effects are found at low temperature, with a moving smectic that becomes unstable to an anisotropic liquid on sufficiently large length scales.

  18. InP-based two-dimensional photonic crystals filled with polymers

    NARCIS (Netherlands)

    Van der Heijden, R.; Carlström, C.F.; Snijders, J.A.P.; Van der Heijden, R.W.; Karouta, F.; Nötzel, R.; Salemink, H.W.M.; Kjellander, B.K.C.; Bastiaansen, C.W.M.; Broer, D.J.; Van der Drift, E.

    2006-01-01

    Polymer filling of the air holes of indium-phosphide-based two-dimensional photonic crystals is reported. After infiltration of the holes with a liquid monomer and solidification of the infill in situ by thermal polymerization, complete filling is proven using scanning electron microscopy. Optical t

  19. 连续旋转爆轰发动机气液两相爆轰波传播特性二维数值研究%Numerical investigation on two-dimensional gas-liquid two-phase detonation wave propagation characteristics of continuous rotating detonation engine

    Institute of Scientific and Technical Information of China (English)

    李宝星; 翁春生

    2015-01-01

    为了研究液体燃料连续旋转爆轰发动机( Continuous Rotating Detonation Engine,CRDE)中爆轰波形成与传播过程,采用二维CE/SE方法,对汽油、富氧空气两相连续旋转爆轰发动机爆轰过程进行数值模拟,分析了连续旋转爆轰发动机气液两相爆轰流场和爆轰波结构及入口和出口处的流场变化规律,揭示了CRDE自持传播机理. 计算结果表明,燃料以时段阶梯填充方式来起爆旋转爆轰,可快速有效地形成单方向稳定传播的爆轰波;在周向方向上出口处的流场间断面要延后于入口处的间断面,出口流场间断面主要是由斜激波和接触间断面造成的,而入口流场间断面是由爆轰波引起的. 通过对气液两相CRDE的二维数值模拟,可更好地了解液体燃料CRDE的工作过程,为液体燃料CRDE研究提供指导.%In order to discuss the formation and propagation of detonation wave of the liquid fuel continuous rotating detonation engine( CRDE) ,the two-dimensional CE/SE method is used to simulate the detonation process of gasoline and oxygen-enriched air two-phase CRDE.The gas-liquid two-phase detonation flow field of CRDE,the structure of detonation wave,and the variation of flow field at inlet and exit were analyzed,then the self-sustaining mechanism of CRDE was revealed.The results show that rotating detona-tion is initiated by the method of multistep filling fuel,forming a stable detonation wave along one direction propagation rapidly and effectively.In circumferential direction,the discontinuity of exit flow field appears behind the discontinuity of inlet. Oblique shock wave and contact discontinuity are the main reasons of the formation of discontinuity in the exit flow field, while the discontinuity of inlet flow field is caused by detonation wave.The two-dimensional numerical simulation of gas-liquid two-phase CRDE gives us better understanding of the liquid fuel CRDE and provides guidance for the research of liquid

  20. The fluidity and molding ability of glass-forming Zr-based alloy melt

    Institute of Scientific and Technical Information of China (English)

    2008-01-01

    The fluidity and filling ability of glass-forming Zr-based alloy melt in copper mould were investigated both theoretically and experimentally. The major factors which affected the flowing behavior of the metallic melt in the mold were determined,which provides the foundation for overcoming the contradiction between the filling and formation of amorphous alloy during the rapid cooling process of the metallic melts. The casting factors to prepare a metallic ring were discussed and selected. As a result,a Zr-based bulk metallic glass ring was prepared successfully.

  1. Spinel dissolution via addition of glass forming chemicals. Results of preliminary experiments

    Energy Technology Data Exchange (ETDEWEB)

    Fox, K. M. [Savannah River Site (SRS), Aiken, SC (United States); Johnson, F. C. [Savannah River Site (SRS), Aiken, SC (United States)

    2015-11-01

    Increased loading of high level waste in glass can lead to crystallization within the glass. Some crystalline species, such as spinel, have no practical impact on the chemical durability of the glass, and therefore may be acceptable from both a processing and a product performance standpoint. In order to operate a melter with a controlled amount of crystallization, options must be developed for remediating an unacceptable accumulation of crystals. This report describes preliminary experiments designed to evaluate the ability to dissolve spinel crystals in simulated waste glass melts via the addition of glass forming chemicals (GFCs).

  2. Atomic-Scale Mechanisms of the Glass-Forming Ability in Metallic Glasses

    Science.gov (United States)

    Yang, L.; Guo, G. Q.; Chen, L. Y.; Huang, C. L.; Ge, T.; Chen, D.; Liaw, P. K.; Saksl, K.; Ren, Y.; Zeng, Q. S.; LaQua, B.; Chen, F. G.; Jiang, J. Z.

    2012-09-01

    The issue, composition dependence of glass-forming ability (GFA) in metallic glasses (MG), has been investigated by systematic experimental measurements coupled with theoretical calculations in Cu-Zr and Ni-Nb alloy systems. It is found that the atomic-level packing efficiency strongly relates to their GFA. The best GFA is located at the largest difference in the packing efficiency of the solute-centered clusters between the glassy and crystal alloys in both MG systems. This work provides an understanding of GFA from atomic level and will shed light on the development of new MGs with larger critical sizes.

  3. Glass Forming Ability of Metallic Glasses Evaluated by a New Criterion

    Institute of Scientific and Technical Information of China (English)

    CAO Qing-Ping; LI Jin-Fu; ZHOU Yao-He

    2008-01-01

    The glass-forming ability (GFA) of Cu-Zr binary alloys is evaluated using the existing criteria based on calorimetric parameters, and poor relations are found. Therefore, another parameter Trk defined as Tk/Tl, in which Tk is the Kauzmann temperature and Tl the equilibrium liquidus temperature, is proposed. It exhibits good agreements with the experimental data of the Cu-Zr system and other representative bulk metallic glass formers so long as classifying them into strong or fragile category. It is suggested that kinetic effects are irrelevantly incorporated in the GFA analysis in the previous work.

  4. Ultrafast two dimensional infrared chemical exchange spectroscopy

    Science.gov (United States)

    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

  5. Molecular assembly on two-dimensional materials

    Science.gov (United States)

    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

  6. Non-polar lipids characterization of Quinoa (Chenopodium quinoa) seed by comprehensive two-dimensional gas chromatography with flame ionization/mass spectrometry detection and non-aqueous reversed-phase liquid chromatography with atmospheric pressure chemical ionization mass spectrometry detection.

    Science.gov (United States)

    Fanali, Chiara; Beccaria, Marco; Salivo, Simona; Tranchida, Peter; Tripodo, Giusy; Farnetti, Sara; Dugo, Laura; Dugo, Paola; Mondello, Luigi

    2015-07-08

    A chemical characterization of major lipid components, namely, triacylglycerols, fatty acids and the unsaponifiable fraction, in a Quinoa seed lipids sample is reported. To tackle such a task, non-aqueous reversed-phase high-performance liquid chromatography with mass spectrometry detection was employed. The latter was interfaced with atmospheric pressure chemical ionization for the analysis of triacylglycerols. The main triacylglycerols (>10%) were represented by OLP, OOL and OLL (P = palmitoyl, O = oleoyl, L = linoleoyl); the latter was present in the oil sample at the highest percentage (18.1%). Furthermore, fatty acid methyl esters were evaluated by gas chromatography with flame ionization detection. 89% of the total fatty acids was represented by unsaturated fatty acid methyl esters with the greatest percentage represented by linoleic and oleic acids accounting for approximately 48 and 28%, respectively. An extensive characterization of the unsaponifiable fraction of Quinoa seed lipids was performed for the first time, by using comprehensive two-dimensional gas chromatography with dual mass spectrometry/flame ionization detection. Overall, 66 compounds of the unsaponifiable fraction were tentatively identified, many constituents of which (particularly sterols) were confirmed by using gas chromatography with high-resolution time-of-flight mass spectrometry.

  7. Construction of a two-dimensional liquid chromatography separation system for high abundance proteins depletion in human plasma%去除血浆中高丰度蛋白质的二维液相色谱体系的建立

    Institute of Scientific and Technical Information of China (English)

    朱绍春; 张学洋; 高明霞; 晏国全; 张祥民

    2011-01-01

    High abundance proteins existing in human plasma severely impede the detection of low abundance proteins. This is one of the most difficult problems encountered in plasma pro-teomics research. We developed a two-dimensional liquid chromatography system with strong anion exchange chromatography-reversed-phase liquid chromatography ( SAX-RPLC) for the extensive separation of plasma proteins and selective depletion of high abundance proteins. TSKgel SuperQ-5PW was selected as the first dimensional separation column for crude human plasma fractionation and Jupiter C4 column was selected as the second dimensional separation column. Separation gradients of the two-dimensional liquid chromatography system were optimized to ensure an extensive separation of plasma proteins. Ten peaks with high signal intensities ( >20 mAU) at 215 nm during the second dimensional separation were collected and identified by liquid chromatography-tandem mass spectrometry (LC-MS/MS). As a result, 32 proteins, all of which were reported to be high abundance proteins in plasma, including human serum albumin (HAS), immunoglobulin G (IgG) and so on were successfully identified. This system provides an effective method for future depletion of more high abundance proteins and in-depth research in human plasma proteomics.%血浆中高丰度蛋白质的存在严重干扰低丰度蛋白质的检测,是困扰血浆蛋白质组学研究的技术瓶颈之一.针对这一热点问题,建立了一种二维液相色谱(强阴离子交换色谱-反相高效液相色谱)分离系统,对血浆中的高丰度蛋白质进行了色谱定位并进行去除.选择TSKgel SuperQ-5PW为第一维色谱分离柱,第二维色谱分离采用Jupiter C4柱,对第一维的馏分进行进一步的分离.通过梯度优化,血浆样品经过二维系统得到充分分离.第二维分离过程中从紫外信号强度高(215 nm,大于20 mAU)的峰中选择10个峰,利用液相色谱-串联质谱鉴定出32种高丰度蛋白质,

  8. Glass-forming property of hydroxyectoine is the cause of its superior function as a desiccation protectant

    OpenAIRE

    Erwin Arno Galinski; Christoph eTanne; Andrea eMeffert; Golovina, Elena A; Hoekstra, Folkert A.

    2014-01-01

    We were able to demonstrate that hydroxyectoine, in contrast to ectoine, is a good glass-forming compound. Fourier transform infrared (FTIR) and spin label electron spin resonance (ESR) studies of dry ectoine and hydroxyectoine have shown that the superior glass-forming properties of hydroxyectoine result from stronger intermolecular H-bonds with the OH group of hydroxyectoine. Spin probe experiments have also shown that better molecular immobilization in dry hydroxyectoine provides better re...

  9. Freeze-drying of proteins with glass-forming oligosaccharide-derived sugar alcohols.

    Science.gov (United States)

    Kadoya, Saori; Fujii, Kahori; Izutsu, Ken-ichi; Yonemochi, Etsuo; Terada, Katsuhide; Yomota, Chikako; Kawanishi, Toru

    2010-04-15

    Physical properties and protein-stabilizing effects of sugar alcohols in frozen aqueous solutions and freeze-dried solids were studied. Various frozen sugar alcohol solutions showed a glass transition of the maximally freeze-concentrated phase at temperatures (T(g)'s) that depended largely on the solute molecular weights. Some oligosaccharide-derived sugar alcohols (e.g., maltitol, lactitol, maltotriitol) formed glass-state amorphous cake-structure freeze-dried solids. Microscopic observation of frozen maltitol and lactitol solutions under vacuum (FDM) indicated onset of physical collapse at temperatures (T(c)) several degrees higher than their T(g)'s. Freeze-drying of pentitols (e.g., xylitol) and hexitols (e.g., sorbitol, mannitol) resulted in collapsed or crystallized solids. The glass-forming sugar alcohols prevented activity loss of a model protein (LDH: lactate dehydrogenase) during freeze-drying and subsequent storage at 50 degrees C. They also protected bovine serum albumin (BSA) from lyophilization-induced secondary structure perturbation. The glass-forming sugar alcohols showed lower susceptibility to Maillard reaction with co-lyophilized L-lysine compared to reducing and non-reducing disaccharides during storage at elevated temperature. Application of the oligosaccharide-derived sugar alcohols as alternative stabilizers in lyophilized protein formulations was discussed. Copyright 2010 Elsevier B.V. All rights reserved.

  10. Accuracy of a selection criterion for glass forming ability in the Ni–Nb–Zr system

    Energy Technology Data Exchange (ETDEWEB)

    Déo, L.P., E-mail: leonardopratavieira@gmail.com; Oliveira, M.F. de, E-mail: falcao@sc.usp.br

    2014-12-05

    Highlights: • We applied a selection in the Ni–Nb–Zr system to find alloys with high GFA. • We used the thermal parameter γ{sub m} to evaluate the GFA of alloys. • The correlation between the γ{sub m} parameter and R{sub c} in the studied system is poor. • The effect of oxygen impurity reduced dramatically the GFA of alloys. • Unknown intermetallic compounds reduced the accuracy of the criterion. - Abstract: Several theories have been developed and applied in metallic systems in order to find the best stoichiometries with high glass forming ability; however there is no universal theory to predict the glass forming ability in metallic systems. Recently a selection criterion was applied in the Zr–Ni–Cu system and it was found some correlation between experimental and theoretical data. This criterion correlates critical cooling rate for glass formation with topological instability of stable crystalline structures; average work function difference and average electron density difference among the constituent elements of the alloy. In the present work, this criterion was applied in the Ni–Nb–Zr system. It was investigated the influence of factors not considered in the calculation and on the accuracy of the criterion, such as unknown intermetallic compounds and oxygen contamination. Bulk amorphous specimens were produced by injection casting. The amorphous nature was analyzed by X-ray diffraction and differential scanning calorimetry; oxygen contamination was quantified by the inert gas fusion method.

  11. Thermodynamic and relative approach to compute glass-forming ability of oxides

    Indian Academy of Sciences (India)

    Nouar Boubata; Abdelmalek Roula; Islam Moussaoui

    2013-06-01

    This study deals with the evaluation of glass-forming ability (GFA) of oxides and is a critical reading of Sun and Rawson thermodynamic approach to quantify this aptitude. Both approaches are adequate but ambiguous regarding the behaviour of some oxides (tendency to amorphization or crystallization). Indeed, ZrO2 and Al2O3 were inappropriately listed by Sun and Rawson to be glassformer oxides while being intermediate ones.We present a non-dimensional approach to value GFA of single oxide by affecting to each one of the coefficients (without measuring units). Obeying to the non-dimensional analysis rules, we introduce a neglected (in all prior thermodynamic models) characteristic: the isobaric heat capacity (p) of oxides, and execute a mathematical treatment of oxides thermodynamic data.We note this coefficient as thermodynamical relative glass-forming ability (ThRGFA) and formulate a model to compute it. Computed values of 2nd, 3rd, 4th and 5th period metal oxides reveal a clear differentiation between them. Indeed, all glass former oxides are characterized by ThRGFA values over 1.709. Moreover, the value intervals confirm the oxides classification into three groups (forming, intermediate and modifier) and sorting of the former ones in distinctive strong and fragile oxides.

  12. Thermodynamic model for glass forming ability of ternary metallic glass systems

    Institute of Scientific and Technical Information of China (English)

    2001-01-01

    The thermodynamic model of multicomponent chemical short range order (MCSRO) was established in order to evaluate the glass forming ability (GFA) of ternary alloys. Comprehensive numerical calculations using MSCRO software were conducted to obtain the composition dependence of the MCSRO undercooling in Zr-Ni-Cu, Zr-Si-Cu and Pd-Si-Cu ternary systems. By the MCSRO undercooling principle, the composition range of Zr-Ni-Cu system with optimum GFA is determined to be 62.5~75Zr, 5~20Cu, 12.5~25Ni (n(Ni)/n(Cu)=1~5). The TTT curves of Zr-Ni-Cu system were also calculated based on the MCSRO model. The critical cooling rates for Zr-based alloy with deep MSCRO undercooling are estimated to be as low as 100?K/s, which is consistent with the practical cooling rate in the preparation of Zr-based bulk metallic glass (BMG). The calculation also illustrates that the easy glass forming systems such as Pd-based alloys exhibit an extraordinary deep MCSRO undercooling. It is shown that the thermodynamic model of MCSRO provides an effective method for the alloy designing of BMG.

  13. Crystallization behavior of Fe- and Co-based bulk metallic glasses and their glass-forming ability

    Energy Technology Data Exchange (ETDEWEB)

    Louzguine-Luzgin, D.V., E-mail: dml@wpi-aimr.tohoku.ac.jp [WPI Advanced Institute for Materials Research, Tohoku University, Sendai 980-8577 (Japan); Bazlov, A.I. [WPI Advanced Institute for Materials Research, Tohoku University, Sendai 980-8577 (Japan); National University of Science and Technology “MISiS”, Moscow 119049 (Russian Federation); Ketov, S.V. [WPI Advanced Institute for Materials Research, Tohoku University, Sendai 980-8577 (Japan); Inoue, A. [International Institute of Green Materials, Josai International University, Togane 283-8555 (Japan); School of Materials Science and Engineering, Tianjin University, 300072 (China); Department of Physics, King Abdulaziz University, Jeddah 22254 (Saudi Arabia)

    2015-07-15

    In the present work we study and compare the crystallization behavior of Fe- and Co-based good bulk glass formers with an exceptionally high glass-forming ability leading to the critical thickness of cast samples reaching 1 cm. For Fe-based alloys we also investigate the effect of opposite C/B content ratio on the glass-forming ability and the crystallization behavior. The structure and phase composition of the glassy samples were examined by conventional X-ray diffractometry and transmission electron microscopy while thermal stability and phase transformations were studied by differential scanning calorimetry. The reasons for high glass-forming ability are discussed. The glass-forming ability of the studied alloys depends on both factors: the type of crystallization reaction and characteristic temperatures. - Highlights: • Crystallization of Fe-based and Co-based bulk glass-forming alloys. • The reasons for enhanced glass-forming ability of these alloys are discussed. • Low growth rate of χ-Fe{sub 36}Cr{sub 12}Mo{sub 10} phase. • Reduced liquidus temperature of Fe{sub 48}Cr{sub 15}Mo{sub 14}C{sub 6}B{sub 15}RE{sub 2} alloys.

  14. 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.

  15. Two-dimensional solid-phase extraction strategy for the selective enrichment of aminoglycosides in milk.

    Science.gov (United States)

    Shen, Aijin; Wei, Jie; Yan, Jingyu; Jin, Gaowa; Ding, Junjie; Yang, Bingcheng; Guo, Zhimou; Zhang, Feifang; Liang, Xinmiao

    2017-03-01

    An orthogonal two-dimensional solid-phase extraction strategy was established for the selective enrichment of three aminoglycosides including spectinomycin, streptomycin, and dihydrostreptomycin in milk. A reversed-phase liquid chromatography material (C18 ) and a weak cation-exchange material (TGA) were integrated in a single solid-phase extraction cartridge. The feasibility of two-dimensional clean-up procedure that experienced two-step adsorption, two-step rinsing, and two-step elution was systematically investigated. Based on the orthogonality of reversed-phase and weak cation-exchange procedures, the two-dimensional solid-phase extraction strategy could minimize the interference from the hydrophobic matrix existing in traditional reversed-phase solid-phase extraction. In addition, high ionic strength in the extracts could be effectively removed before the second dimension of weak cation-exchange solid-phase extraction. Combined with liquid chromatography and tandem mass spectrometry, the optimized procedure was validated according to the European Union Commission directive 2002/657/EC. A good performance was achieved in terms of linearity, recovery, precision, decision limit, and detection capability in milk. Finally, the optimized two-dimensional clean-up procedure incorporated with liquid chromatography and tandem mass spectrometry was successfully applied to the rapid monitoring of aminoglycoside residues in milk. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  16. Ionic solutions of two-dimensional materials

    Science.gov (United States)

    Cullen, Patrick L.; Cox, Kathleen M.; Bin Subhan, Mohammed K.; Picco, Loren; Payton, Oliver D.; Buckley, David J.; Miller, Thomas S.; Hodge, Stephen A.; Skipper, Neal T.; Tileli, Vasiliki; Howard, Christopher A.

    2016-11-01

    Strategies for forming liquid dispersions of nanomaterials typically focus on retarding reaggregation, for example via surface modification, as opposed to promoting the thermodynamically driven dissolution common for molecule-sized species. Here we demonstrate the true dissolution of a wide range of important 2D nanomaterials by forming layered material salts that spontaneously dissolve in polar solvents yielding ionic solutions. The benign dissolution advantageously maintains the morphology of the starting material, is stable against reaggregation and can achieve solutions containing exclusively individualized monolayers. Importantly, the charge on the anionic nanosheet solutes is reversible, enables targeted deposition over large areas via electroplating and can initiate novel self-assembly upon drying. Our findings thus reveal a unique solution-like behaviour for 2D materials that enables their scalable production and controlled manipulation.

  17. Two-Dimensional Electron-Spin Resonance

    Science.gov (United States)

    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.

  18. Gate-induced superconductivity in two-dimensional atomic crystals

    Science.gov (United States)

    Saito, Yu; Nojima, Tsutomu; Iwasa, Yoshihiro

    2016-09-01

    Two-dimensional (2D) crystals are attracting growing interest in condensed matter physics, since these systems exhibit not only rich electronic and photonic properties but also exotic electronic phase transitions including superconductivity and charge density wave. Moreover, owing to the recent development of transfer methods after exfoliation and electric-double-layer transistors, superconducting 2D atomic crystals, the thicknesses of which are below 1-2 nm, have been successfully obtained. Here, we present a topical review on the recent discoveries of 2D crystalline superconductors by ionic-liquid gating and a series of their novel properties. In particular, we highlight two topics; quantum metallic states (or possible metallic ground states) and superconductivity robust against in-plane magnetic fields. These phenomena can be discussed with the effects of weakened disorder and/or broken spacial inversion symmetry leading to valley-dependent spin-momentum locking (spin-valley locking). These examples suggest the superconducting 2D crystals are new platforms for investigating the intrinsic quantum phases as well as exotic nature in 2D superconductors.

  19. Flow of foams in two-dimensional disordered porous media

    Science.gov (United States)

    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.

  20. Tilted Two-Dimensional Array Multifocus Confocal Raman Microspectroscopy.

    Science.gov (United States)

    Yabumoto, Sohshi; Hamaguchi, Hiro-O

    2017-07-18

    A simple and efficient two-dimensional multifocus confocal Raman microspectroscopy featuring the tilted-array technique is demonstrated. Raman scattering from a 4 × 4 square foci array passing through a 4 × 4 confocal pinhole array is tilted with a periscope. The tilted array of Raman scattering signals is dispersed by an imaging spectrograph onto a CCD detector, giving 16 independent Raman spectra formed as 16 bands with different heights on the sensor. Use of a state-of-the-art imaging spectrograph enables high-precision wavenumber duplicability of the 16 spectra. This high duplicability makes the simultaneously obtained spectra endurable for multivariate spectral analyses, which is demonstrated by a singular value decomposition analysis for Raman spectra of liquid indene. Although the present implementation attains only 16 measurement points, the number of points can be extended to larger than 100 without any technical leaps. Limit of parallelization depends on the interval of measurement points as well as the performance of the optical system. Criteria for finding the maximum feasible number are discussed.

  1. Soluble, Exfoliated Two-Dimensional Nanosheets as Excellent Aqueous Lubricants.

    Science.gov (United States)

    Zhang, Wenling; Cao, Yanlin; Tian, Pengyi; Guo, Fei; Tian, Yu; Zheng, Wen; Ji, Xuqiang; Liu, Jingquan

    2016-11-30

    Dispersion in water of two-dimensional (2D) nanosheets is conducive to their practical applications in fundamental science communities due to their abundance, low cost, and ecofriendliness. However, it is difficult to achieve stable aqueous 2D material suspensions because of the intrinsic hydrophobic properties of the layered materials. Here, we report an effective and economic way of producing various 2D nanosheets (h-BN, MoS2, MoSe2, WS2, and graphene) as aqueous dispersions using carbon quantum dots (CQDs) as exfoliation agents and stabilizers. The dispersion was prepared through a liquid phase exfoliation. The as-synthesized stable 2D nanosheets based dispersions were characterized by UV-vis, HRTEM, AFM, Raman, XPS, and XRD. The solutions based on CQD decorated 2D nanosheets were utilized as aqueous lubricants, which realized a friction coefficient as low as 0.02 and even achieved a superlubricity under certain working conditions. The excellent lubricating properties were attributed to the synergetic effects of the 2D nanosheets and CQDs, such as good dispersion stability and easy-sliding interlayer structure. This work thus proposes a novel strategy for the design and preparation of high-performance water based green lubricants.

  2. The Chandrasekhar's Equation for Two-Dimensional Hypothetical White Dwarfs

    CERN Document Server

    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.

  3. Beginning Introductory Physics with Two-Dimensional Motion

    Science.gov (United States)

    Huggins, Elisha

    2009-01-01

    During the session on "Introductory College Physics Textbooks" at the 2007 Summer Meeting of the AAPT, there was a brief discussion about whether introductory physics should begin with one-dimensional motion or two-dimensional motion. Here we present the case that by starting with two-dimensional motion, we are able to introduce a considerable…

  4. Spatiotemporal surface solitons in two-dimensional photonic lattices.

    Science.gov (United States)

    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.

  5. 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...

  6. Mechanics of Apparent Horizon in Two Dimensional Dilaton Gravity

    CERN Document Server

    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.

  7. 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.

  8. Glass forming ability of Zr-and Fe-based alloys at quenching from melts

    Institute of Scientific and Technical Information of China (English)

    2002-01-01

    The master alloy ingots(MAI)with the nominal composition Zr52.5 Ti5Cu17.9 Ni14.6Al10 and Fe61Co7Zr10Mo5W2B15(at%)were prepared by arc-melting in Ti-gettered Ar atmosphere.The Zr-based buttons of 6 mm and 9 mm in diameter were fully amorphous,but those of 13 mm in diameter experienced crystallization.The glass forming ability(GFA)of Fe-based alloys was relatively lower,and the buttons obtained were fully crystallized.The microhardness of the Zr-based buttons was about 500(Hv),and the Fe-based rod obtained by injection technique exhibited a high Vickers hardness of 1329.In addition,an amorphous-crystalline transition layers were observed in both the buttons and the rods.

  9. Ductile Bulk Aluminum-Based Alloy with Good Glass-Forming Ability and High Strength

    Institute of Scientific and Technical Information of China (English)

    ZHUO Long-Chao; PANG Shu-Jie; WANG Hui; ZHANG Tao

    2009-01-01

    Based on a new approach for designing glassy alloy compositions,bulk Al-based alloys with good glass-forming ability (GFA) are synthesized.The cast Al86Si0.5Ni4.06Co2.94 Y6Sc0.5 rod with a diameter of 1 mm shows almost fully amorphous structure besides about 5% fcc-Al nucleated in the center of the rod.The bulk alloy with high Al concentration exhibits an ultrahigh yield strength of 1.18 Gpa and maximum strength of 1.27 Gpa as well as an obvious plastic strain of about 2.4% during compressive deformation.This light Al-based alloy with good GFA and mechanical properties is promising as a new high specific strength material with good deformability.

  10. Glass forming ability and thermodynamic properties of Ti(Zr,Hf)NiCu shape memory alloys

    Science.gov (United States)

    Pasko, A.; Kolomytsev, V.; Babanly, M.; Sezonenko, A.; Ochin, P.; Portier, R.; Vermaut, Ph.

    2003-10-01

    Rapidly solidified amorphous and crystalline-amorphous ribbons have been produced from a number of quatemary Ti{50+z-x}(Zr,Hf){ x}Ni{50- z-y}Cu{ y} alloys where z =(-5, 0, 5). Structural states were checked by XRD, crystallization behaviour of amorphous phase and martensitic transformations in crystalline material were studied by DSC. The glass transition and crystallization temperatures have been measured at different heating rates, and the crystallization activation energy for each composition and heat event bas been calculated. Isothermal crystallization gives an alternative method of determining the activation energy according to the Arrhenius equation. Contradictory requirements for the conditions of martensitic transformation and good glass forming ability is discussed.

  11. On the origin of bulk glass forming ability in Cu-Hf, Zr alloys

    Science.gov (United States)

    Ristić, Ramir; Zadro, Krešo; Pajić, Damir; Figueroa, Ignacio A.; Babić, Emil

    2016-04-01

    Understanding the formation of bulk metallic glasses (BMG) in metallic systems and finding a reliable criterion for selection of BMG compositions are among the most important issues in condensed-matter physics and material science. Using the results of magnetic susceptibility measurements performed on both amorphous and crystallized Cu-Hf alloys (30-70 at% Cu) we find a correlation between the difference in magnetic susceptibilities of corresponding glassy and crystalline alloys and the variation in the glass forming ability (GFA) in these alloys. Since the same correlation can be inferred from data for the properties associated with the electronic structure of Cu-Zr alloys, it seems quite general and may apply to other glassy alloys based on early and late transition metals. This correlation is plausible from the free-energy considerations and provides a simple way to select the compositions with high GFA.

  12. Analysis of melting and solidification behaviour of glass-forming alloys by synchrotron radiation

    Energy Technology Data Exchange (ETDEWEB)

    Baser, T.A.; Baricco, M. [Dipartimento di Chimica, Universita di Torino (Italy); NIS, Torino (Italy); Bostrom, M. [The European Synchrotron Radiation Facility, (ESRF), Grenoble (France); Stoica, M. [Leibniz-Institut fuer Festkorper- und Werkstoffforschung Dresden (Germany); Yavari, A.R. [Laboratorie de Thermodynamique et Physico-chimie Metallurgique (LTPCM-UMR 5614), Institut National Polytechnique de Grenoble, CNRS (France)

    2007-06-15

    This paper aims to study the melting and solidification behaviour of Fe48Cr15Mo14Y2C15B6 and Cu50Zr50 glass-forming alloys by in-situ synchrotron X-ray diffraction from data obtained at the European Synchrotron Radiation Facility (ESRF). Melting and solidification behaviour for both alloys were measured by high temperature differential scanning calorimetry (HTDSC). The phase identification was performed by Rietveld refinement of diffraction patterns collected as a function of temperature. The phase mixture on melting and solidification has been clarified, confirming that in-situ X-ray diffraction by synchrotron radiation is a powerful technique for the study of phase transformations in alloys. (Abstract Copyright [2007], Wiley Periodicals, Inc.)

  13. The Dynamics of Water in Porous Two-Dimensional Crystals.

    Science.gov (United States)

    Strong, Steven E; Eaves, Joel D

    2017-01-12

    Porous two-dimensional crystals offer many promises for water desalination applications. For computer simulation to play a predictive role in this area, however, one needs to have reliable methods for simulating an atomistic system with hydrodynamic currents and interpretative tools to relate microscopic interactions to emergent macroscopic dynamical quantities, such as friction, slip length, and permeability. In this article, we use Gaussian dynamics, a nonequilibrium molecular dynamics method that provides microscopic insights into the interactions that control the flows of both simple liquids and liquid water through atomically small channels. In simulations of aqueous transport, we mimic the effect of changing the membrane chemical composition by adjusting the attractive strength of the van der Waals interactions between the membrane atoms and water. We find that the wetting contact angle, a common measure of a membrane's hydrophobicity, does not predict the permeability of a membrane. Instead, the hydrophobic effect is subtle, with both static and dynamic effects that can both help and hinder water transport through these materials. The competition between the static and dynamical hydrophobicity balances an atomic membrane's tendency to wet against hydrodynamic friction, and determines an optimal contact angle for water passage through nonpolar membranes. To a reasonable approximation, the optimal contact angle depends only on the aspect ratio of the pore. We also find that water molecules pass through the most hydrophobic membranes in a punctuated series of bursts that are separated by long pauses. A continuous-time Markov model of these data provides evidence of a molecular analogue to the clogging transition, a phenomenon observed in driven granular flows.

  14. 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.

  15. Conformal mapping technique for two-dimensional porous media and jet impingement heat transfer

    Science.gov (United States)

    Siegel, R.

    1974-01-01

    Transpiration cooling and liquid metals both provide highly effective heat transfer. Using Darcy's law in porous media and the inviscid approximation for liquid metals, the local fluid velocity in these flows equals the gradient of a potential. The energy equation and flow region are simplified when transformed into potential plane coordinates. In these coordinates, the present problems are reduced to heat conduction solutions which are mapped into the physical geometry. Results are obtained for a porous region with simultaneously prescribed surface temperature and heat flux, heat transfer in a two-dimensional porous bed, and heat transfer for two liquid metal slot jets impinging on a heated plate.

  16. Self-diffusion in a stochastically heated two-dimensional dusty plasma

    Science.gov (United States)

    Sheridan, T. E.

    2016-09-01

    Diffusion in a two-dimensional dusty plasma liquid (i.e., a Yukawa liquid) is studied experimentally. The dusty plasma liquid is heated stochastically by a surrounding three-dimensional toroidal dusty plasma gas which acts as a thermal reservoir. The measured dust velocity distribution functions are isotropic Maxwellians, giving a well-defined kinetic temperature. The mean-square displacement for dust particles is found to increase linearly with time, indicating normal diffusion. The measured diffusion coefficients increase approximately linearly with temperature. The effective collision rate is dominated by collective dust-dust interactions rather than neutral gas drag, and is comparable to the dusty-plasma frequency.

  17. 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).

  18. Microscopic insight into the origin of enhanced glass-forming ability of metallic melts on micro-alloying

    Energy Technology Data Exchange (ETDEWEB)

    Chen, C. J.; Chathoth, S. M., E-mail: smavilac@cityu.edu.hk [Department of Physics and Materials Science, City University of Hong Kong, Kowloon Tong, Hong Kong (China); Podlesnyak, A. [Quantum Condensed Matter Division, Oak Ridge National Laboratory, Oak Ridge, Tennessee 37831 (United States); Mamontov, E. [Chemical and Engineering Materials Division, Oak Ridge National Laboratory, Oak Ridge, Tennessee 37831 (United States); Wang, W. H. [Institute of Physics, Chinese Academy of Science, Beijing 100190 (China)

    2015-09-28

    Extensive efforts have been made to develop metallic-glasses with large casting diameter. Such efforts were hindered by the poor understanding of glass formation mechanisms and the origin of the glass-forming ability (GFA) in metallic glass-forming systems. In this work, we have investigated relaxation dynamics of a model bulk glass-forming alloy system that shows the enhanced at first and then diminished GFA on increasing the percentage of micro-alloying. The micro-alloying did not have any significant impact on the thermodynamic properties. The GFA increasing on micro-alloying in this system cannot be explained by the present theoretical knowledge. Our results indicate that atomic caging is the primary factor that influences the GFA. The composition dependence of the atomic caging time or residence time is found to be well correlated with GFA of the system.

  19. Brewster Angle Microscope Investigations of Two Dimensional Phase Transitions

    Science.gov (United States)

    Schuman, Adam William

    The liquid-liquid interface is investigated by microscopic and thermodynamic means to image and measure interfacial properties when the system undergoes a two-dimensional (2D) phase transition of a Gibbs monolayer by varying the sample temperature. An in-house Brewster angle microscope (BAM) is constructed to visualize the interface during this transition while a quasi-elastic light scattering technique is used to determine the interfacial tension. These results complement x-ray investigations of the same systems. Evidence of interfacial micro-separated structure, microphases, comes from observations across a hexane-water interface with the inclusion of a long-chain fluorinated alcohol surfactant into the bulk hexane. Microphases take the form of spatially modulated structure to the density of the surfactant as it spans laterally across the interface. The surfactant monolayer exhibits microphase morphology over a range of a couple degrees as the temperature of the system is scanned through the 2D gas-solid phase transition. Microphase structure was observed for heating and cooling the hexane-water system and structural comparisons are given when the temperature step and quench depth of the cooling process is varied. A complete sequence of morphological structure was observed from 2D gas to cluster to labyrinthine stripe to a 2D solid mosaic pattern. Two characteristic length scales emerge giving rise to speculation of an elastic contribution to the standard repulsive and attractive competitive forces stabilizing the microphase. The benefit of BAM to laterally image very thin films across the surface of an interface on the micrometer length scale nicely complements x-ray reflectivity methods that average structural data transverse to the liquid interface on a molecular scale. To properly analyze x-ray reflectivity data, the interface is required to be laterally homogeneous. BAM can sufficiently characterize the interface for this purpose as is done for a Langmuir

  20. Two Dimensional Hydrodynamic Analysis of the Moose Creek Floodway

    Science.gov (United States)

    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

  1. 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.

  2. 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.

  3. Monte Carlo simulation of thermodynamic properties for two-dimensional Lennard-Jones fluids

    Institute of Scientific and Technical Information of China (English)

    2000-01-01

    Canonical ensemble Monte Carlo simulations have been carried out to investigate the thermodynamic properties of two-dimensional fluids subjected to truncated Lennard-Jones 12-6 potential. The simulations of thermodynamic states sweep across liquid-vapor regime over a wide range of thermodynamic conditions. Simulated isotherms behave van der Waals loop-like characteristics in the liquid-vapor phase-transition region. It suggests a continuous isothermal phase transition in the case of micro system, in which the system size prohibits phase separation. Two-dimensional dimensionless van der Waals equation of states has been obtained from theoretical analysis. By fitting simulated data to this equation, temperature-dependent parameters in the equation have been determined.

  4. Predicting Composition Dependence of Glass Forming Ability in Ternary Al-Cu-Y System by Thermodynamic Calculation

    Directory of Open Access Journals (Sweden)

    Qi Wang

    2014-11-01

    Full Text Available The composition dependence of glass forming ability in the ternary Al-Cu-Y system is predicted by thermodynamic calculations based on the Miedema’s model and Alonso’s method. By comparing the relative energetic status of the amorphous phase versus the solid solution phase, a hexagonal composition region that energetically favoring the metallic glass formation is predicted. The glass formation driving force and crystallization resistance are further calculated and the composition of Al72Cu10Y18 is pinpointed with the largest glass forming ability in the Al-Cu-Y system. The calculation results are well supported by the experimental observations reported in the literature.

  5. Two-dimensional photonic crystals from semiconductor material with polymer filled holes

    Science.gov (United States)

    van der Heijden, Rob; Kjellander, Charlotte; Carlström, Carl-Fredrik; Snijders, Juri; van der Heijden, Rob W.; Bastiaansen, Kees; Broer, Dick; Karouta, Fouad; Nötzel, Richard; van der Drift, Emile; Salemink, Huub W. M.

    2006-04-01

    Polymer filling of the air holes of indiumphosphide based two-dimensional photonic crystals is reported. The filling is performed by infiltration with a liquid monomer and solidification of the infill in situ by thermal polymerization. Complete hole filling is obtained with infiltration under ambient pressure. This conclusion is based both on cross-sectional scanning electron microscope inspection of the filled samples as well as on optical transmission measurements.

  6. Crystal growth nucleation and Fermi energy equalization of intrinsic spherical nuclei in glass-forming melts

    Directory of Open Access Journals (Sweden)

    Robert F Tournier

    2009-01-01

    Full Text Available The energy saving resulting from the equalization of Fermi energies of a crystal and its melt is added to the Gibbs free-energy change ΔG2ls associated with a crystal formation in glass-forming melts. This negative contribution being a fraction ε ls(T of the fusion heat is created by the electrostatic potential energy −U0 resulting from the electron transfer from the crystal to the melt and is maximum at the melting temperature Tm in agreement with a thermodynamics constraint. The homogeneous nucleation critical temperature T2, the nucleation critical barrier ΔG2ls*/kBT and the critical radius R*2ls are determined as functions of εls(T. In bulk metallic glass forming melts, εls(T and T2 only depend on the free-volume disappearance temperature T0l, and εls(Tm is larger than 1 (T0l>Tm/3; in conventional undercooled melts εls(Tm is smaller than 1 (T0l>Tm/3. Unmelted intrinsic crystals act as growth nuclei reducing ΔG2ls*/kBT and the nucleation time. The temperature-time transformation diagrams of Mg65Y10 Cu25, Zr41.2Ti13.8 Cu12.5Ni10Be22.5, Pd43Cu27 Ni10P20, Fe83B17 and Ni melts are predicted using classic nucleation models including time lags in transient nucleation, by varying the intrinsic nucleus contribution to the reduction of ΔG2ls*/kBT. The energy-saving coefficient ε nm(T of an unmelted crystal of radius Rnm is reduced when Rnm LtR*2ls; εnm is quantified and corresponds to the first energy level of one s-electron moving in vacuum in the same spherical attractive potential −U0 despite the fact that the charge screening is built by many-body effects.

  7. 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.

  8. 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.

  9. 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....

  10. Entanglement Entropy for time dependent two dimensional holographic superconductor

    CERN Document Server

    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.

  11. 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.

  12. Quantization of Two-Dimensional Gravity with Dynamical Torsion

    CERN Document Server

    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.

  13. Spatiotemporal dissipative solitons in two-dimensional photonic lattices.

    Science.gov (United States)

    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.

  14. 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.

  15. A two-dimensional polymer prepared by organic synthesis.

    Science.gov (United States)

    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.

  16. 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.

  17. Extreme paths in oriented two-dimensional percolation

    OpenAIRE

    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...

  18. Two Dimensional Nucleation Process by Monte Carlo Simulation

    OpenAIRE

    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...

  19. Controlled Interactions between Two Dimensional Layered Inorganic Nanosheets and Polymers

    Science.gov (United States)

    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

  20. 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.

  1. 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.

  2. Effects of solute methoxylation on glass-forming ability and stability of vitrification solutions

    Science.gov (United States)

    Wowk; Darwin; Harris; Russell; Rasch

    1999-11-01

    The effects of replacing hydroxyl groups with methoxyl (OCH(3)) groups in the polyols ethylene glycol (EG), propylene glycol (PG), glycerol, and threitol were studied by differential scanning calorimetry (DSC) during cooling of aqueous solutions to -150 degrees C and subsequent rewarming. For 35% (w/w) PG, 40% EG, and 45% glycerol, a single substitution of a terminal hydroxyl group with a methoxyl group reduced the critical cooling rate necessary to avoid ice on cooling (vitrify) from approximately 500 to 50 degrees C/min. This reduction was approximately equivalent to increasing the parent polyol concentration by 5% (w/w). The critical warming rate calculated to avoid formation of ice on rewarming (devitrification) was also reduced by methoxyl substitution, typically by a factor of 10(4) for dilute solutions. Double methoxylation (replacement of both terminal hydroxyls) tended to result in hydrate formation, making these compounds less interesting. An exception was threitol, for which substituting both terminal hydroxyls by methoxyls reduced the critical rewarming rate of a 50% solution by a factor of 10(7) without any hydrate formation. These glass-forming and stability properties of methoxylated compounds, combined with their low viscosity, enhanced permeability, and high glass transition temperatures, make them interesting candidate cryoprotective agents for cryopreservation by vitrification or freezing. Copyright 1999 Academic Press.

  3. Nanoscale physical properties of polymer glasses formed by solvent-assisted laser deposition

    Science.gov (United States)

    Shepard, Kimberly; Arnold, Craig; Priestley, Rodney

    2015-03-01

    High-energy, low-density nanostructured polymer glasses are formed via the solvent-assisted laser deposition technique MAPLE (Matrix Assisted Pulsed Laser Evaporation). During film deposition, micro- to nano-size polymer/solvent clusters are ejected via laser ablation from a frozen dilute polymer solution. During flight to the substrate under vacuum, the clusters experience rapid cooling and solvent stripping, forming polymer nanoglobules. Bulk polymer films are formed via the gradual assembly of these spherical-like nanostructured building blocks (i.e. nanoglobules). The MAPLE process thus enables investigation of the exceptional properties of glasses formed under extreme processing conditions. In the bulk state, we probe the effect of process parameters and chemical identity of the thermal behavior of a series of methacrylate polymers. We also employ multiple techniques to directly measure the properties of the polymer nanoglobules and connect the results to the global film properties. This talk will address nanoscale dilatometry via AFM, in which the volume of an individual polymer nanoglobule is tracked as it is heated through its glass transition, as well as Flash DSC analysis of the thermal properties of nanogram size MAPLE-deposited polymer glasses. We then discuss these findings in the context of the material's unconventional route to the glassy state.

  4. The best glass-forming compositions in Al-Co(or Ni)-Y ternary systems

    Energy Technology Data Exchange (ETDEWEB)

    Wang, Yingmin [Department of Physics and Materials Science, City University of Hong Kong (Hong Kong); Shek, Chan Hung [Department of Physics and Materials Science, City University of Hong Kong (Hong Kong)]. E-mail: apchshek@cityu.edu.hk; Qiang, Jianbing [State Key Laboratory of Materials Modification and Department of Materials Engineering, Dalian University of Technology, Dalian 116024 (China); Dong, Chuang [State Key Laboratory of Materials Modification and Department of Materials Engineering, Dalian University of Technology, Dalian 116024 (China); Pang, Shujie [Department of Physics and Materials Science, City University of Hong Kong (Hong Kong); Department of Materials Science and Engineering, Beijing University of Aeronautics and Astronautics, Beijing 100083 (China); Zhang, Tao [Department of Materials Science and Engineering, Beijing University of Aeronautics and Astronautics, Beijing 100083 (China)

    2007-05-31

    The present work aims at the investigation of the largest glass-forming abilities in the Al-Co(or Ni)-Y ternary systems. In the reduced isothermal sections of their ternary phase diagrams, the e/a-based composition line passes through three known phases, Al{sub 50}Co(or Ni){sub 50}, Al{sub 33}Co(or Ni){sub 33}Y{sub 33} and {alpha}-Y. The atomic cluster-based criterion was incarnated into the Co(or Ni){sub 3}Y{sub 7}-Al composition line. The crossing of the two composition lines gives the composition of Al{sub 23}Co(or Ni){sub 23}Y{sub 54}. The critical diameters for a full glassy state are 4 mm and 3 mm for the Ni-bearing and Co-bearing alloys, respectively. Thermal analysis indicates that the compositions are not eutectic points. The characteristic thermodynamic parameters are T {sub g} = 645 K, T {sub x} = 694 K and T {sub g}/T {sub m} = 0.64 for Al{sub 23}Ni{sub 23}Y{sub 54} and T {sub g} = 648 K, T {sub x} = 681 K and T {sub g}/T {sub m} = 0.63 for Al{sub 23}Co{sub 23}Y{sub 54}.

  5. The glass-forming ability of model metal-metalloid alloys

    Energy Technology Data Exchange (ETDEWEB)

    Zhang, Kai; Liu, Yanhui; Schroers, Jan [Department of Mechanical Engineering and Materials Science, Yale University, New Haven, Connecticut 06520 (United States); Center for Research on Interface Structures and Phenomena, Yale University, New Haven, Connecticut 06520 (United States); Shattuck, Mark D. [Department of Physics and Benjamin Levich Institute, The City College of the City University of New York, New York, New York 10031 (United States); Department of Mechanical Engineering and Materials Science, Yale University, New Haven, Connecticut 06520 (United States); O’Hern, Corey S. [Department of Mechanical Engineering and Materials Science, Yale University, New Haven, Connecticut 06520 (United States); Center for Research on Interface Structures and Phenomena, Yale University, New Haven, Connecticut 06520 (United States); Department of Physics, Yale University, New Haven, Connecticut 06520 (United States); Department of Applied Physics, Yale University, New Haven, Connecticut 06520 (United States)

    2015-03-14

    Bulk metallic glasses (BMGs) are amorphous alloys with desirable mechanical properties and processing capabilities. To date, the design of new BMGs has largely employed empirical rules and trial-and-error experimental approaches. Ab initio computational methods are currently prohibitively slow to be practically used in searching the vast space of possible atomic combinations for bulk glass formers. Here, we perform molecular dynamics simulations of a coarse-grained, anisotropic potential, which mimics interatomic covalent bonding, to measure the critical cooling rates for metal-metalloid alloys as a function of the atomic size ratio σ{sub S}/σ{sub L} and number fraction x{sub S} of the metalloid species. We show that the regime in the space of σ{sub S}/σ{sub L} and x{sub S} where well-mixed, optimal glass formers occur for patchy and LJ particle mixtures, coincides with that for experimentally observed metal-metalloid glass formers. Thus, our simple computational model provides the capability to perform combinatorial searches to identify novel glass-forming alloys.

  6. The glass-forming ability of model metal-metalloid alloys

    Science.gov (United States)

    Zhang, Kai; Liu, Yanhui; Schroers, Jan; Shattuck, Mark D.; O'Hern, Corey S.

    2015-03-01

    Bulk metallic glasses (BMGs) are amorphous alloys with desirable mechanical properties and processing capabilities. To date, the design of new BMGs has largely employed empirical rules and trial-and-error experimental approaches. Ab initio computational methods are currently prohibitively slow to be practically used in searching the vast space of possible atomic combinations for bulk glass formers. Here, we perform molecular dynamics simulations of a coarse-grained, anisotropic potential, which mimics interatomic covalent bonding, to measure the critical cooling rates for metal-metalloid alloys as a function of the atomic size ratio σS/σL and number fraction xS of the metalloid species. We show that the regime in the space of σS/σL and xS where well-mixed, optimal glass formers occur for patchy and LJ particle mixtures, coincides with that for experimentally observed metal-metalloid glass formers. Thus, our simple computational model provides the capability to perform combinatorial searches to identify novel glass-forming alloys.

  7. New glass forming triarylamine based azomethines as a hole transport materials: Thermal, optical and electrochemical properties

    Science.gov (United States)

    Sek, Danuta; Grucela-Zajac, Marzena; Krompiec, Michal; Janeczek, Henryk; Schab-Balcerzak, Ewa

    2012-06-01

    New, solution processable azomethines, consisting of electron-donating triarylamine units (TPA) were synthesised via condensation of 4-formyltriphenylamine with 1,5-diaminonaphthalene, 1,4-diaminonaphthalene, 3,3'-dimethylnaphtidine and 3,8-diamino-6-phenylphenanthridine in view of their potential application in organic (opto)electronics. The structures of the compounds were characterized by means of IR, NMR spectroscopy and elemental analysis; the results show an agreement with the proposed structure. The prepared azomethines exhibited glass-forming properties with glass-transition temperatures in the range of 102-222 °C. Optical properties of the prepared compounds were investigated by UV-Vis and photoluminescence (PL) measurements. The obtained compounds emitted blue-green light in chloroform solution with emission maximum (λem) at ca. 500 nm and blue one (λem ˜ 440 nm) in blend with PMMA. The electrochemical behavior of azomethines was studied by cyclic voltammetry (CV) and differential pulse voltammetry (DPV). The HOMO level was in the range from -5.08 to -5.22 eV. The HOMO, LUMO levels and energy band gap (Eg) were additionally calculated theoretically at B3LYP/6-31G(d,p) level. It was found that imine obtained from 1,4-diaminonaphthalene exhibited better conjugation than other TPA-based azomethines. Preliminary electrical conductivity measurements were carried out on ITO/compound/Al devices.

  8. Atomic dynamics in Zr-based glass forming alloys near the liquidus temperature

    Science.gov (United States)

    Basuki, Sri Wahyuni; Yang, Fan; Gill, Elisabeth; Rätzke, Klaus; Meyer, Andreas; Faupel, Franz

    2017-01-01

    We report simultaneous radiotracer diffusion experiments of Co-57 and of Zr-95 in binary Z r64N i36 , Z r36N i64 , and ternary Z r60N i25A l15 alloys above but near the liquidus temperature (Tl). In contrast to the multicomponent Z r46.75T i8.25C u7.5N i10B e27.5 (Vit4), where a significant component decoupling at the Tl is observed, the ratio between Zr and Co self-diffusion coefficients is smaller than two in the alloys with fewer components. The difference in the degree of decoupling compared to Vit4 can be explained in terms of different Tl's. Moreover, owing to the high accuracy of the simultaneous tracer diffusion technique, we are able to resolve a small but notable composition dependence of the ratio DCo/DZr , which decreases with increasing Zr content for all glass forming alloys reported here. In contrast to a hard sphere (HS)-like mixture, where decoupling is controlled only by atomic sizes, this indicates a coupling of the Co/Ni and Zr diffusion, due to the strong chemical affinity between the diffusing components. Our results are in very good agreement with recent simulations in Z r64N i36 based on mode coupling theory (MCT).

  9. Two-dimensional Confinement of Heavy Fermions in Artificial Superlattices

    Science.gov (United States)

    Shishido, Hiroaki

    2011-03-01

    Low dimensionality and strong electron-electron Coulomb interactions are both key parameters for novel quantum states of condensed matter. A metallic system with the strongest electron correlations is reported in rare-earth and actinide compounds with f electrons, known as heavy-fermion compounds, where the effective mass of the conduction electrons are strikingly enhanced by the electron correlations up to some hundreds times the free electron mass. To date the electronic structure of all heavy-fermion compounds is essentially three-dimensional. We realized experimentally a two-dimensional heavy fermion system, adjusting the dimensionality in a controllable fashion. We grew artificial superlattices of CeIn 3 (m)/ LaIn 3 (n), in which m -layers of heavy-fermion antiferromagnet CeIn 3 and n -layers of a non-magnetic isostructual compound LaIn 3 are stacked alternately, by a molecular beam epitaxy. By reducing the thickness of the CeIn 3 layers, the magnetic order was suppressed and the effective electron mass was further enhanced. The Néel temperature becomes zero at around m = 2 , concomitant with striking deviations from the standard Fermi liquid low-temperature electronic properties. Standard Fermi liquid behaviors are, however, recovered under high magnetic field. These behaviors imply new ``dimensional tuning'' towards a quantum critical point. We also succeeded to fabricate artificial superlattices of a heavy fermion superconductor CeCoIn 5 and non-magnetic divalent Yb-compound YbCoIn 5 . Superconductivity survives even in CeCoIn 5 (3)/ YbCoIn 5 (5) films, while the thickness of CeCoIn 5 layer, 2.3 nm, is comparable to the c -axis coherence length ξc ~ 2 nm. This work has been done in collaboration with Y. Mizukami, S. Yasumoto, M. Shimozawa, H. Kontani, T. Shibauchi, T. Terashima and Y. Matsuda.superconductivity is realized in the artificial superlattices. This work has been done in collaboration with Y. Mizukami, S. Yasumoto, M. Shimozawa, H. Kontani, T

  10. Two dimensional soft material: new faces of graphene oxide.

    Science.gov (United States)

    Kim, Jaemyung; Cote, Laura J; Huang, Jiaxing

    2012-08-21

    Graphite oxide sheets, now called graphene oxide (GO), can be made from chemical exfoliation of graphite by reactions that have been known for 150 years. Because GO is a promising solution-processable precursor for the bulk production of graphene, interest in this old material has resurged. The reactions to produce GO add oxygenated functional groups to the graphene sheets on their basal plane and edges, and this derivatization breaks the π-conjugated network, resulting in electrically insulating but highly water-dispersible sheets. Apart from making graphene, GO itself has many intriguing properties. Like graphene, GO is a two-dimensional (2D) sheet with feature sizes at two abruptly different length scales. The apparent thickness of the functionalized carbon sheet is approximately 1 nm, but the lateral dimensions can range from a few nanometers to hundreds of micrometers. Therefore, researchers can think of GO as either a single molecule or a particle, depending on which length scale is of greater interest. At the same time, GO can be viewed as an unconventional soft material, such as a 2D polymer, highly anisotropic colloid, membrane, liquid crystal, or amphiphile. In this Account, we highlight the soft material characteristics of GO. GO consists of nanographitic patches surrounded by largely disordered, oxygenated domains. Such structural characteristics effectively make GO a 2D amphiphile with a hydrophilic periphery and largely hydrophobic center. This insight has led to better understanding of the solution properties of GO for making thin films and new applications of GO as a surfactant. Changes in pH and sheet size can tune the amphiphilicity of GO, leading to intriguing interfacial activities. In addition, new all-carbon composites made of only graphitic nanostructures using GO as a dispersing agent have potential applications in photovoltaics and energy storage. On the other hand, GO can function as a 2D random diblock copolymer, one block graphitic and

  11. Microscopic relaxations in a protein sustained down to 160K in a non-glass forming organic solvent.

    Science.gov (United States)

    Mamontov, E; O'Neill, H

    2017-01-01

    We have studied microscopic dynamics of a protein in carbon disulfide, a non-glass forming solvent, down to its freezing temperature of ca. 160K. We have utilized quasielastic neutron scattering. A comparison of lysozyme hydrated with water and dissolved in carbon disulfide reveals a stark difference in the temperature dependence of the protein's microscopic relaxation dynamics induced by the solvent. In the case of hydration water, the common protein glass-forming solvent, the protein relaxation slows down in response to a large increase in the water viscosity on cooling down, exhibiting a well-known protein dynamical transition. The dynamical transition disappears in non-glass forming carbon disulfide, whose viscosity remains a weak function of temperature all the way down to freezing at just below 160K. The microscopic relaxation dynamics of lysozyme dissolved in carbon disulfide is sustained down to the freezing temperature of its solvent at a rate similar to that measured at ambient temperature. Our results demonstrate that protein dynamical transition is not merely solvent-assisted, but rather solvent-induced, or, more precisely, is a reflection of the temperature dependence of the solvent's glass-forming dynamics. We hypothesize that, if the long debated idea regarding the direct link between the microscopic relaxations and the biological activity in proteins is correct, then not only the microscopic relaxations, but also the activity, could be sustained in proteins all the way down to the freezing temperature of a non-glass forming solvent with a weak temperature dependence of its viscosity. This article is part of a Special Issue entitled "Science for Life" Guest Editor: Dr. Austen Angell, Dr. Salvatore Magazù and Dr. Federica Migliardo. Copyright © 2016 Elsevier B.V. All rights reserved.

  12. Nanocrystallization kinetics and glass forming ability of the Fe65Nb10B25 metallic alloy

    Science.gov (United States)

    Torrens-Serra, J.; Rodríguez-Viejo, J.; Clavaguera-Mora, M. T.

    2007-12-01

    The crystallization kinetics of glassy Fe65Nb10B25 melt-spun ribbons is studied by differential scanning calorimetry in the mode of continuous heating and isothermal annealing and by x-ray diffraction and transmission electron microscopy. Continuous heat treatments of the ribbons show the presence of multiple exothermic peaks before melting. The low-temperature peak corresponds to the precipitation of nanoscale Fe23B6 -type crystalline metastable phase, and further annealing leads to its transformation into the metastable Fe3B phase and subsequent formation of bcc-Fe , Fe2B , and FeNbB stable crystalline phases. The nucleation frequency and the growth rate are determined at selected temperatures from the analysis of the microstructures that emerge during the Fe23B6 -type nanocrystallization. The master curve method is used to obtain the apparent activation energy and the Avrami exponent at the nanocrystallization onset. The nanocrystallization kinetics is explained in the framework of the Kolmogorov-Johnson-Mehl-Avrami theory. The rejection of insoluble alloy atoms during primary crystallization, the formation of diffusion layers around the crystals, and the decrease in the nucleation frequency caused by alloy enrichment of the residual disordered matrix is modeled through a soft impingement factor. Estimated values for the interfacial energy that provide a satisfactory agreement between experiments and modeling are derived considering that homogeneous nucleation frequency and interface-controlled grain growth are dominant at the onset of the nanocrystallization. Consequently, the time-temperature-transformation diagram is also drawn and the critical cooling rate estimated for this glass forming alloy.

  13. Two-dimensional thin-layer chromatography in the analysis of secondary plant metabolites.

    Science.gov (United States)

    Cieśla, Lukasz; Waksmundzka-Hajnos, Monika

    2009-02-13

    Drugs, derived from medicinal plants, have been enjoying a renaissance in the last years. It is due to a great pharmacological potential of herbal drugs, as many natural compounds have been found to exhibit biological activity of wide spectrum. The introduction of whole plants, plant extracts, or isolated natural compounds has led to the need to create the analytical methods suitable for their analysis. The identification of isolated substances is relatively an easy task, but the analysis of plant extracts causes a lot of problems, as they are usually very complex mixtures. Chromatographic methods are one of the most popular techniques applied in the analysis of natural mixtures. Unfortunately the separation power of traditional, one-dimensional techniques, is usually inadequate for separation of more complex samples. In such a case the use of multidimensional chromatography is advised. Planar chromatography gives the possibility of performing two-dimensional separations with the use of one adsorbent with two different eluents or by using bilayer plates or graft thin-layer chromatography (TLC) technique; combinations of different multidimensional techniques are also possible. In this paper, multidimensional planar chromatographic methods, commonly applied in the analysis of natural compounds, were reviewed. A detailed information is given on the methodology of performing two-dimensional separations on one adsorbent, on bilayer plates, with the use of graft TLC and hyphenated methods. General aspects of multidimensionality in liquid chromatography are also described. Finally a reader will find a description of variable two-dimensional methods applied in the analysis of compounds, most commonly encountered in plant extracts. This paper is aimed to draw attention to the potential of two-dimensional planar chromatography in the field of phytochemistry. It may be useful for those who are interested in achieving successful separations of multicomponent mixtures by means

  14. Tracking dynamics of two-dimensional continuous attractor neural networks

    Science.gov (United States)

    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.

  15. Electronics and optoelectronics of two-dimensional transition metal dichalcogenides.

    Science.gov (United States)

    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.

  16. Hamiltonian formalism of two-dimensional Vlasov kinetic equation.

    Science.gov (United States)

    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.

  17. 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.

  18. Two-Dimensional Electronic Spectroscopy Using Incoherent Light: Theoretical Analysis

    CERN Document Server

    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...

  19. Spectral Radiative Properties of Two-Dimensional Rough Surfaces

    Science.gov (United States)

    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.

  20. Two dimensional convolute integers for machine vision and image recognition

    Science.gov (United States)

    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.

  1. Optical modulators with two-dimensional layered materials

    CERN Document Server

    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.

  2. Hybrid numerical scheme for nonlinear two-dimensional phase-change problems with the irregular geometry

    Energy Technology Data Exchange (ETDEWEB)

    Lin Jaeyuh [Chang Jung Univ., Tainan (Taiwan, Province of China); Chen Hantaw [National Cheng Kung Univ., Tainan (Taiwan, Province of China). Dept. of Mechanical Engineering

    1997-09-01

    A hybrid numerical scheme combining the Laplace transform and control-volume methods is presented to solve nonlinear two-dimensional phase-change problems with the irregular geometry. The Laplace transform method is applied to deal with the time domain, and then the control-volume method is used to discretize the transformed system in the space domain. Nonlinear terms induced by the temperature-dependent thermal properties are linearized by using the Taylor series approximation. Control-volume meshes in the solid and liquid regions during simulations are generated by using the discrete transfinite mapping method. The location of the phase-change interface and the isothermal distributions are determined. Comparison of these results with previous results shows that the present numerical scheme has good accuracy for two-dimensional phase-change problems. (orig.). With 10 figs.

  3. Optical imaging process based on two-dimensional Fourier transform for synthetic aperture imaging ladar

    Science.gov (United States)

    Sun, Zhiwei; Zhi, Ya'nan; Liu, Liren; Sun, Jianfeng; Zhou, Yu; Hou, Peipei

    2013-09-01

    The synthetic aperture imaging ladar (SAIL) systems typically generate large amounts of data difficult to compress with digital method. This paper presents an optical SAIL processor based on compensation of quadratic phase of echo in azimuth direction and two dimensional Fourier transform. The optical processor mainly consists of one phase-only liquid crystal spatial modulator(LCSLM) to load the phase data of target echo and one cylindrical lens to compensate the quadratic phase and one spherical lens to fulfill the task of two dimensional Fourier transform. We show the imaging processing result of practical target echo obtained by a synthetic aperture imaging ladar demonstrator. The optical processor is compact and lightweight and could provide inherent parallel and the speed-of-light computing capability, it has a promising application future especially in onboard and satellite borne SAIL systems.

  4. Two-dimensional superconductors with atomic-scale thickness

    Science.gov (United States)

    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.

  5. 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.

  6. Singular analysis of two-dimensional bifurcation system

    Institute of Scientific and Technical Information of China (English)

    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.

  7. 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....

  8. 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....

  9. Vortices in the Two-Dimensional Simple Exclusion Process

    Science.gov (United States)

    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.

  10. 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....

  11. Field analysis of two-dimensional focusing grating couplers

    Science.gov (United States)

    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.

  12. 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.

  13. 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...

  14. Two-dimensional assignment with merged measurements using Langrangrian relaxation

    Science.gov (United States)

    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.

  15. Two-dimensional lattice Boltzmann model for magnetohydrodynamics.

    Science.gov (United States)

    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.

  16. Quasinormal frequencies of asymptotically flat two-dimensional black holes

    CERN Document Server

    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.

  17. 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...

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

    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.

  19. Insight on the glass-forming ability of Al–Y–Ni–Ce bulk metallic glass

    Energy Technology Data Exchange (ETDEWEB)

    Chen, Shih-Fan, E-mail: sfchen@ntut.edu.tw [Institute of Materials Science and Engineering, National Taipei University of Technology, Taipei 106, Taiwan (China); Chen, Chih-Yuan, E-mail: chen6563@gmail.com [Department of Energy Engineering, National United University, Miaoli 36003, Taiwan (China); Lin, Chia-Hung [Institute of Materials Science and Engineering, National Taipei University of Technology, Taipei 106, Taiwan (China)

    2015-07-15

    Highlights: • Adding 1 at.% cerium to Al{sub 87}Y{sub 8}Ni{sub 5} alloy causes glass transition. • A large ΔT{sub x} indicates that (Al{sub 87}Y{sub 8}Ni{sub 5}){sub 99}Ce{sub 1} is possibly a ductile amorphous alloy. • Ce is effective in improving the thermal stability of the Al–Y–Ni amorphous alloy. • The hardness of the crystallized cerium-bearing alloy was as high as 593 Hv. - Abstract: In the present study, the role of Ce in the thermal stability and glass forming ability (GFA) of (Al{sub 87}Y{sub 8}Ni{sub 5}){sub 99}Ce{sub 1} alloy ribbons produced by a single roller melt-spinning process has been investigated in an attempt to understand the influences of multiple RE elements in an Al–TM–RE (TM: transition metal, RE: rear earth metal) alloy system. Only the (Al{sub 87}Y{sub 8}Ni{sub 5}){sub 99}Ce{sub 1} alloy ribbon showed a glass transition temperature (T{sub g}) at 483.2 K, and its ΔT{sub x} value was 41.3 K. Crystallization occurred in the temperature range of 500–750 K in three exothermic reaction stages. The peak temperature for these reactions shifted toward higher temperatures at higher heating rates. XRD and SEM analysis of annealed samples revealed that nano-sized Al particles precipitated within the amorphous matrix during the first exothermic reaction. The maximum hardness was obtained for both non-cerium and cerium addition alloys after crystallization in the 550–660 K region due to numerous nano-sized precipitates randomly and homogeneously distributed in the amorphous matrix. Moreover, from observation of the fracture surface, it is found that the fracture mode transforms from ductile to brittle when the sample is annealed at a higher crystallization temperature, at which brittle intermetallic compounds appear.

  20. Waiting Time Dynamics in Two-Dimensional Infrared Spectroscopy

    NARCIS (Netherlands)

    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,