WorldWideScience

Sample records for model phase diagrams

  1. Random matrix models for phase diagrams

    International Nuclear Information System (INIS)

    Vanderheyden, B; Jackson, A D

    2011-01-01

    We describe a random matrix approach that can provide generic and readily soluble mean-field descriptions of the phase diagram for a variety of systems ranging from quantum chromodynamics to high-T c materials. Instead of working from specific models, phase diagrams are constructed by averaging over the ensemble of theories that possesses the relevant symmetries of the problem. Although approximate in nature, this approach has a number of advantages. First, it can be useful in distinguishing generic features from model-dependent details. Second, it can help in understanding the 'minimal' number of symmetry constraints required to reproduce specific phase structures. Third, the robustness of predictions can be checked with respect to variations in the detailed description of the interactions. Finally, near critical points, random matrix models bear strong similarities to Ginsburg-Landau theories with the advantage of additional constraints inherited from the symmetries of the underlying interaction. These constraints can be helpful in ruling out certain topologies in the phase diagram. In this Key Issues Review, we illustrate the basic structure of random matrix models, discuss their strengths and weaknesses, and consider the kinds of system to which they can be applied.

  2. A Three-dimensional Topological Model of Ternary Phase Diagram

    International Nuclear Information System (INIS)

    Mu, Yingxue; Bao, Hong

    2017-01-01

    In order to obtain a visualization of the complex internal structure of ternary phase diagram, the paper realized a three-dimensional topology model of ternary phase diagram with the designed data structure and improved algorithm, under the guidance of relevant theories of computer graphics. The purpose of the model is mainly to analyze the relationship between each phase region of a ternary phase diagram. The model not only obtain isothermal section graph at any temperature, but also extract a particular phase region in which users are interested. (paper)

  3. Phase diagram of a model of the protein amelogenin

    Science.gov (United States)

    Haaga, Jason; Pemberton, Elizabeth; Gunton, J. D.; Rickman, J. M.

    2016-08-01

    There has been considerable recent interest in the self-assembly and phase behavior of models of colloidal and protein particles with anisotropic interactions. One example of particular interest is amelogenin, an important protein involved in the formation of dental enamel. Amelogenin is primarily hydrophobic with a 25-residue charged C-terminus tail. This protein undergoes a hierarchical assembly process that is crucial to mineral deposition, and experimental work has demonstrated that the deletion of the C-terminus tail prevents this self-assembly. A simplified model of amelogenin has been proposed in which the protein is treated as a hydrophobic sphere, interacting via the Asakura-Oosawa (AO) potential, with a tethered point charge on its surface. In this paper, we examine the effect of the Coulomb interaction between the point charges in altering the phase diagram of the AO model. For the parameter case specific to amelogenin, we find that the previous in vitro experimental and model conditions correspond to the system being near the low-density edge of the metastable region of the phase diagram. Our study illustrates more generally the importance of understanding the phase diagram for proteins, in that the kinetic pathway for self-assembly and the resulting aggregate morphology depends on the location of the initial state in the phase diagram.

  4. Phase diagram of the ABC model with nonconserving processes

    International Nuclear Information System (INIS)

    Lederhendler, A; Cohen, O; Mukamel, D

    2010-01-01

    The three species ABC model of driven particles on a ring is generalized to include vacancies and particle-nonconserving processes. The model exhibits phase separation at high densities. For equal average densities of the three species, it is shown that although the dynamics is local, it obeys detailed balance with respect to a Hamiltonian with long-range interactions, yielding a nonadditive free energy. The phase diagrams of the conserving and nonconserving models, corresponding to the canonical and grand-canonical ensembles, respectively, are calculated in the thermodynamic limit. Both models exhibit a transition from a homogeneous to a phase-separated state, although the phase diagrams are shown to differ from each other. This conforms with the expected inequivalence of ensembles in equilibrium systems with long-range interactions. These results are based on a stability analysis of the homogeneous phase and exact solution of the continuum equations of the models. They are supported by Monte Carlo simulations. This study may serve as a useful starting point for analyzing the phase diagram for unequal densities, where detailed balance is not satisfied and thus a Hamiltonian cannot be defined

  5. Phase Diagram of a Simple Model for Fractional Topological Insulator

    Science.gov (United States)

    Chen, Hua; Yang, Kun

    2012-02-01

    We study a simple model of two species of (or spin-1/2) fermions with short-range intra-species repulsion in the presence of opposite (effetive) magnetic field, each at filling factor 1/3. In the absence of inter-species interaction, the ground state is simply two copies of the 1/3 Laughlin state, with opposite chirality. Due to the overall time-reversal symmetry, this is a fractional topological insulator. We show this phase is stable against moderate inter-species interactions. However strong enough inter-species repulsion leads to phase separation, while strong enough inter-species attraction drives the system into a superfluid phase. We obtain the phase diagram through exact diagonalization caluclations. Nature of the fractional topological insluator-superfluid phase transition is discussed using an appropriate Chern-Simons-Ginsburg-Landau effective field theory.

  6. Matrix model approximations of fuzzy scalar field theories and their phase diagrams

    Energy Technology Data Exchange (ETDEWEB)

    Tekel, Juraj [Department of Theoretical Physics, Faculty of Mathematics, Physics and Informatics, Comenius University, Mlynska Dolina, Bratislava, 842 48 (Slovakia)

    2015-12-29

    We present an analysis of two different approximations to the scalar field theory on the fuzzy sphere, a nonperturbative and a perturbative one, which are both multitrace matrix models. We show that the former reproduces a phase diagram with correct features in a qualitative agreement with the previous numerical studies and that the latter gives a phase diagram with features not expected in the phase diagram of the field theory.

  7. Phase diagram of a one-dimensional spin-orbital model

    International Nuclear Information System (INIS)

    Itoi, Chigak; Qin, Shaojin; Affleck, Ian

    2000-01-01

    We study a one-dimensional spin-orbital model using both analytical and numerical methods. Renormalization group calculations are performed in the vicinity of a special integrable point in the phase diagram with SU(4) symmetry. These indicate the existence of a gapless phase in an extended region of the phase diagram, missed in previous studies. This phase is SU(4) invariant at low energies apart from the presence of different velocities for spin and orbital degrees of freedom. The phase transition into a gapped dimerized phase is in a generalized Kosterlitz-Thouless universality class. The phase diagram of this model is sketched using the density matrix renormalization group technique

  8. Energy spectrum and phase diagrams of two-sublattice hard-core boson model

    Directory of Open Access Journals (Sweden)

    I.V. Stasyuk

    2013-06-01

    Full Text Available The energy spectrum, spectral density and phase diagrams have been obtained for two-sublattice hard-core boson model in frames of random phase approximation approach. Reconstruction of boson spectrum at the change of temperature, chemical potential and energy difference between local positions in sublattices is studied. The phase diagrams illustrating the regions of existence of a normal phase which can be close to Mott-insulator (MI or charge-density (CDW phase diagrams as well as the phase with the Bose-Einstein condensate (SF phase are built.

  9. Phosphatidylcholine: cholesterol phase diagrams.

    Science.gov (United States)

    Thewalt, J L; Bloom, M

    1992-10-01

    Two mono-cis-unsaturated phosphatidylcholine (PC) lipid molecules, having very different gel-liquid crystalline phase transition temperatures as a consequence of the relative positions of the double bond, exhibit PC:cholesterol phase diagrams that are very similar to each other and to that obtained previously for a fully saturated PC:cholesterol mixture (Vist, M. R., and J. H. Davis. 1990. Biochemistry 29:451-464). This leads to the conjecture that PC:cholesterol membrane phase diagrams have a universal form which is relatively independent of the precise chemical structure of the PC molecule. One feature of this phase diagram is the observation over a wide temperature range of a fluid but highly conformationally ordered phase at bilayer concentrations of more than approximately 25 mol% cholesterol. This ;liquid ordered' phase is postulated to be the relevant physical state for many biological membranes, such as the plasma membrane of eukaryotic cells, that contain substantial amounts of cholesterol or equivalent sterols.

  10. Regularization dependence on phase diagram in Nambu–Jona-Lasinio model

    International Nuclear Information System (INIS)

    Kohyama, H.; Kimura, D.; Inagaki, T.

    2015-01-01

    We study the regularization dependence on meson properties and the phase diagram of quark matter by using the two flavor Nambu–Jona-Lasinio model. The model also has the parameter dependence in each regularization, so we explicitly give the model parameters for some sets of the input observables, then investigate its effect on the phase diagram. We find that the location or the existence of the critical end point highly depends on the regularization methods and the model parameters. Then we think that regularization and parameters are carefully considered when one investigates the QCD critical end point in the effective model studies

  11. Multicritical phase diagrams of the antiferromagnetic spin-3/2 Blume-Capel model

    Energy Technology Data Exchange (ETDEWEB)

    Keskin, Mustafa [Department of Physics, Erciyes University, 38039 Kayseri (Turkey)]. E-mail: keskin@erciyes.edu.tr; Ali Pinar, M. [Institute of Science, Erciyes University, 38039 Kayseri (Turkey); Erdinc, Ahmet [Department of Physics, Erciyes University, 38039 Kayseri (Turkey); Canko, Osman [Department of Physics, Erciyes University, 38039 Kayseri (Turkey)

    2006-04-24

    The antiferromagnetic spin-3/2 Blume-Capel model in an external magnetic field is investigated, and the phase diagrams are obtained in detail by using the cluster variation method. The model exhibits distinct critical regions, including the first-order, second-order and special points: two double critical points, a critical end point, a tricritical point and a zero-temperature critical point. The new phase diagram topology is also found that was not obtained previously. Comparison of the results with those of other studies on this, and closely related systems, is made.

  12. Multicritical phase diagrams of the antiferromagnetic spin-3/2 Blume-Capel model

    International Nuclear Information System (INIS)

    Keskin, Mustafa; Ali Pinar, M.; Erdinc, Ahmet; Canko, Osman

    2006-01-01

    The antiferromagnetic spin-3/2 Blume-Capel model in an external magnetic field is investigated, and the phase diagrams are obtained in detail by using the cluster variation method. The model exhibits distinct critical regions, including the first-order, second-order and special points: two double critical points, a critical end point, a tricritical point and a zero-temperature critical point. The new phase diagram topology is also found that was not obtained previously. Comparison of the results with those of other studies on this, and closely related systems, is made

  13. Determining the phase diagram of water from direct coexistence simulations: the phase diagram of the TIP4P/2005 model revisited.

    Science.gov (United States)

    Conde, M M; Gonzalez, M A; Abascal, J L F; Vega, C

    2013-10-21

    Direct coexistence simulations between the fluid and solid phases are performed for several ices. For ices Ih and VII it has already been shown that the methodology is successful and the melting point is in agreement with that obtained from free energy calculations. In this work the methodology is applied to ices II, III, V, and VI. The lengths of the direct coexistence runs for the high pressure polymorphs are not too long and last less than 20 ns for all ices except for ice II where longer runs (of about 150 ns) are needed. For ices II, V, and VI the results obtained are completely consistent with those obtained from free energy calculations. However, for ice III it is found that the melting point from direct coexistence simulations is higher than that obtained from free energy calculations, the difference being greater than the statistical error. Since ice III presents partial proton orientational disorder, the departure is attributed to differences in the partial proton order in the water model with respect to that found in the experiment. The phase diagram of the TIP4P/2005 model is recalculated using the melting points obtained from direct coexistence simulations. The new phase diagram is similar to the previous one except for the coexistence lines where ice III is involved. The range of stability of ice III on the p-T plot of the phase diagram increases significantly. It is seen that the model qualitatively describes the phase diagram of water. In this work it is shown that the complete phase diagram of water including ices Ih, II, III, V, VI, VII, and the fluid phase can be obtained from direct coexistence simulations without the need of free energy calculations.

  14. Phase diagrams and crystal growth

    Science.gov (United States)

    Venkrbec, Jan

    1980-04-01

    Phase diagrams are briefly treated as generalized property-composition relationships, with respect to crystal technology optimization. The treatment is based on mutual interaction of three systems related to semiconductors: (a) the semiconducting material systems, (b0 the data bank, (c) the system of crystallization methods. A model is proposed enabling optimatization on the path from application requirements to the desired material. Further, several examples of the selection as to the composition of LED and laser diode material are given. Some of molten-solution-zone methods are being successfully introduced for this purpose. Common features of these methods, the application of phase diagrams, and their pecularities compared with other crystallization methods are illustrated by schematic diagrams and by examples. LPE methods, particularly the steady-state LPE methods such as Woodall's ISM and Nishizawa's TDM-CVP, and the CAM-S (Crystallization Method Providing Composition Autocontrol in Situ) have been chosen as examples. Another approach of exploiting phase diagrams for optimal material selection and for determination of growth condition before experimentation through a simple calculation is presented on InP-GaP solid solutions. Ternary phase diagrams are visualized in space through calculation and constructions based on the corresponding thermodynamic models and anaglyphs. These make it easy to observe and qualitatively analyze the crystallization of every composition. Phase diagrams can be also used as a powerful tool for the deduction of new crystallization methods. Eutectic crystallization is an example of such an approach where a modified molten-solution-zone method can give a sandwich structure with an abrupt concentration change. The concentration of a component can range from 0 to 100% in the different solid phases.

  15. Modelling of phase diagrams and thermodynamic properties using Calphad method – Development of thermodynamic databases

    Czech Academy of Sciences Publication Activity Database

    Kroupa, Aleš

    2013-01-01

    Roč. 66, JAN (2013), s. 3-13 ISSN 0927-0256 R&D Projects: GA MŠk(CZ) OC08053 Institutional support: RVO:68081723 Keywords : Calphad method * phase diagram modelling * thermodynamic database development Subject RIV: BJ - Thermodynamics Impact factor: 1.879, year: 2013

  16. Bifurcation analysis and phase diagram of a spin-string model with buckled states.

    Science.gov (United States)

    Ruiz-Garcia, M; Bonilla, L L; Prados, A

    2017-12-01

    We analyze a one-dimensional spin-string model, in which string oscillators are linearly coupled to their two nearest neighbors and to Ising spins representing internal degrees of freedom. String-spin coupling induces a long-range ferromagnetic interaction among spins that competes with a spin-spin antiferromagnetic coupling. As a consequence, the complex phase diagram of the system exhibits different flat rippled and buckled states, with first or second order transition lines between states. This complexity translates to the two-dimensional version of the model, whose numerical solution has been recently used to explain qualitatively the rippled to buckled transition observed in scanning tunneling microscopy experiments with suspended graphene sheets. Here we describe in detail the phase diagram of the simpler one-dimensional model and phase stability using bifurcation theory. This gives additional insight into the physical mechanisms underlying the different phases and the behavior observed in experiments.

  17. Calculation of the P-T phase diagram of nitrogen using a mean field model

    Science.gov (United States)

    Enginer, Y.; Algul, G.; Yurtseven, H.

    2017-12-01

    The P-T phase diagram is calculated at low and moderate pressures by obtaining the phase line equations for the transitions considered in nitrogen using the Landau phenomenological model. For some transitions, a quadratic coupling between the order parameters is taken into account in the expansion of free energies in terms of the order parameters. A quadratic function in T and P is fitted to the experimental P-T data from the literature and the fitted parameters are determined. It is shown that the model studied here describes the observed data adequately, which can also be used to predict the thermodynamic properties of the phases of the molecular nitrogen within the temperatures and pressures of the P-T phase diagram of this system.

  18. Exact ground-state phase diagrams for the spin-3/2 Blume-Emery-Griffiths model

    Energy Technology Data Exchange (ETDEWEB)

    Canko, Osman; Keskin, Mustafa [Department of Physics, Erciyes University, 38039 Kayseri (Turkey); Deviren, Bayram [Institute of Science, Erciyes University, 38039 Kayseri (Turkey)], E-mail: keskin@erciyes.edu.tr

    2008-05-15

    We have calculated the exact ground-state phase diagrams of the spin-3/2 Ising model using the method that was proposed and applied to the spin-1 Ising model by Dublenych (2005 Phys. Rev. B 71 012411). The calculated, exact ground-state phase diagrams on the diatomic and triangular lattices with the nearest-neighbor (NN) interaction have been presented in this paper. We have obtained seven and 15 topologically different ground-state phase diagrams for J>0 and J<0, respectively, on the diatomic lattice and have found the conditions for the existence of uniform and intermediate or non-uniform phases. We have also constructed the exact ground-state phase diagrams of the model on the triangular lattice and found 20 and 59 fundamental phase diagrams for J>0 and J<0, respectively, the conditions for the existence of uniform and intermediate phases have also been found.

  19. Magnetic transition phase diagram of cobalt clusters electrodeposited on HOPG: Experimental and micromagnetic modelling study

    Energy Technology Data Exchange (ETDEWEB)

    Rivera, M., E-mail: mrivera@fisica.unam.m [Imperial College London, Department of Chemistry, South Kensington Campus, London SW7 2AZ (United Kingdom); Rios-Reyes, C.H. [Universidad Autonoma Metropolitana-Azcapotzalco, Departamento de Materiales, Av. San Pablo 180, Col. Reynosa Tamaulipas, C.P. 02200, Mexico D.F. (Mexico); Universidad Autonoma del Estado de Hidalgo, Centro de Investigaciones Quimicas, Mineral de la Reforma, Hidalgo, C.P. 42181 (Mexico); Mendoza-Huizar, L.H. [Universidad Autonoma del Estado de Hidalgo, Centro de Investigaciones Quimicas, Mineral de la Reforma, Hidalgo, C.P. 42181 (Mexico)

    2011-04-15

    The magnetic transition from mono- to multidomain magnetic states of cobalt clusters electrodeposited on highly oriented pyrolytic graphite electrodes was studied experimentally using Magnetic Force Microscopy. From these images, it was found that the critical size of the magnetic transition is dominated by the height rather than the diameter of the aggregate. This experimental behavior was found to be consistent with a theoretical single-domain ferromagnetic model that states that a critical height limits the monodomain state. By analyzing the clusters magnetic states as a function of their dimensions, magnetic exchange constant and anisotropy value were obtained and used to calculate other magnetic properties such as the exchange length, magnetic wall thickness, etc. Finally, a micromagnetic simulation study correctly predicted the experimental magnetic transition phase diagram. - Research highlights: > Electrodeposition of cobalt clusters. > Mono to multidomain magnetic transition. > Magnetic phase diagram.

  20. Magnetic transition phase diagram of cobalt clusters electrodeposited on HOPG: Experimental and micromagnetic modelling study

    International Nuclear Information System (INIS)

    Rivera, M.; Rios-Reyes, C.H.; Mendoza-Huizar, L.H.

    2011-01-01

    The magnetic transition from mono- to multidomain magnetic states of cobalt clusters electrodeposited on highly oriented pyrolytic graphite electrodes was studied experimentally using Magnetic Force Microscopy. From these images, it was found that the critical size of the magnetic transition is dominated by the height rather than the diameter of the aggregate. This experimental behavior was found to be consistent with a theoretical single-domain ferromagnetic model that states that a critical height limits the monodomain state. By analyzing the clusters magnetic states as a function of their dimensions, magnetic exchange constant and anisotropy value were obtained and used to calculate other magnetic properties such as the exchange length, magnetic wall thickness, etc. Finally, a micromagnetic simulation study correctly predicted the experimental magnetic transition phase diagram. - Research highlights: → Electrodeposition of cobalt clusters. →Mono to multidomain magnetic transition. → Magnetic phase diagram.

  1. Uhlenbeck-Ford model: Phase diagram and corresponding-states analysis

    Science.gov (United States)

    Paula Leite, Rodolfo; Santos-Flórez, Pedro Antonio; de Koning, Maurice

    2017-09-01

    Using molecular dynamics simulations and nonequilibrium thermodynamic-integration techniques we compute the Helmholtz free energies of the body-centered-cubic (bcc), face-centered-cubic (fcc), hexagonal close-packed, and fluid phases of the Uhlenbeck-Ford model (UFM) and use the results to construct its phase diagram. The pair interaction associated with the UFM is characterized by an ultrasoft, purely repulsive pair potential that diverges logarithmically at the origin. We find that the bcc and fcc are the only thermodynamically stable crystalline phases in the phase diagram. Furthermore, we report the existence of two reentrant transition sequences as a function of the number density, one featuring a fluid-bcc-fluid succession and another displaying a bcc-fcc-bcc sequence near the triple point. We find strong resemblances to the phase behavior of other soft, purely repulsive systems such as the Gaussian-core model (GCM), inverse-power-law, and Yukawa potentials. In particular, we find that the fcc-bcc-fluid triple point and the phase boundaries in its vicinity are in good agreement with the prediction supplied by a recently proposed corresponding-states principle [J. Chem. Phys. 134, 241101 (2011), 10.1063/1.3605659; Europhys. Lett. 100, 66004 (2012), 10.1209/0295-5075/100/66004]. The particularly strong resemblance between the behavior of the UFM and GCM models are also discussed.

  2. Exact ground-state phase diagrams for the spin-3/2 Blume-Emery-Griffiths model

    International Nuclear Information System (INIS)

    Canko, Osman; Keskin, Mustafa; Deviren, Bayram

    2008-01-01

    We have calculated the exact ground-state phase diagrams of the spin-3/2 Ising model using the method that was proposed and applied to the spin-1 Ising model by Dublenych (2005 Phys. Rev. B 71 012411). The calculated, exact ground-state phase diagrams on the diatomic and triangular lattices with the nearest-neighbor (NN) interaction have been presented in this paper. We have obtained seven and 15 topologically different ground-state phase diagrams for J>0 and J 0 and J<0, respectively, the conditions for the existence of uniform and intermediate phases have also been found

  3. The ground-state phase diagrams of the spin-3/2 Ising model

    International Nuclear Information System (INIS)

    Canko, Osman; Keskin, Mustafa

    2003-01-01

    The ground-state spin configurations are obtained for the spin-3/2 Ising model Hamiltonian with bilinear and biquadratic exchange interactions and a single-ion crystal field. The interactions are assumed to be only between nearest-neighbors. The calculated ground-state phase diagrams are presented on diatomic lattices, such as the square, honeycomb and sc lattices, and triangular lattice in the (Δ/z vertical bar J vertical bar ,K/ vertical bar J vertical bar) and (H/z vertical bar J vertical bar, K/ vertical bar J vertical bar) planes

  4. CERPHASE: Computer-generated phase diagrams

    International Nuclear Information System (INIS)

    Ruys, A.J.; Sorrell, C.C.; Scott, F.H.

    1990-01-01

    CERPHASE is a collection of computer programs written in the programming language basic and developed for the purpose of teaching the principles of phase diagram generation from the ideal solution model of thermodynamics. Two approaches are used in the generation of the phase diagrams: freezing point depression and minimization of the free energy of mixing. Binary and ternary phase diagrams can be generated as can diagrams containing the ideal solution parameters used to generate the actual phase diagrams. Since the diagrams generated utilize the ideal solution model, data input required from the operator is minimal: only the heat of fusion and melting point of each component. CERPHASE is menu-driven and user-friendly, containing simple instructions in the form of screen prompts as well as a HELP file to guide the operator. A second purpose of CERPHASE is in the prediction of phase diagrams in systems for which no experimentally determined phase diagrams are available, enabling the estimation of suitable firing or sintering temperatures for otherwise unknown systems. Since CERPHASE utilizes ideal solution theory, there are certain limitations imposed on the types of systems that can be predicted reliably. 6 refs., 13 refs

  5. A re-examination of thermodynamic modelling of U-Ru binary phase diagram

    Energy Technology Data Exchange (ETDEWEB)

    Wang, L.C.; Kaye, M.H., E-mail: matthew.kaye@uoit.ca [University of Ontario Institute of Technology, Oshawa, ON (Canada)

    2015-07-01

    Ruthenium (Ru) is one of the more abundant fission products (FPs) both in fast breeder reactors and thermal reactors. Post irradiation examinations (PIE) show that both 'the white metallic phase' (MoTc-Ru-Rh-Pd) and 'the other metallic phase' (U(Pd-Rh-Ru)3) are present in spent nuclear fuels. To describe this quaternary system, binary subsystems of uranium (U) with Pd, Rh, and Ru are necessary. Presently, only the U-Ru system has been thermodynamically described but with some problems. As part of research on U-Ru-Rh-Pd quaternary system, an improved consistent thermodynamic model describing the U-Ru binary phase diagram has been obtained. (author)

  6. Study of Monte Carlo Simulation Method for Methane Phase Diagram Prediction using Two Different Potential Models

    KAUST Repository

    Kadoura, Ahmad

    2011-06-06

    Lennard‐Jones (L‐J) and Buckingham exponential‐6 (exp‐6) potential models were used to produce isotherms for methane at temperatures below and above critical one. Molecular simulation approach, particularly Monte Carlo simulations, were employed to create these isotherms working with both canonical and Gibbs ensembles. Experiments in canonical ensemble with each model were conducted to estimate pressures at a range of temperatures above methane critical temperature. Results were collected and compared to experimental data existing in literature; both models showed an elegant agreement with the experimental data. In parallel, experiments below critical temperature were run in Gibbs ensemble using L‐J model only. Upon comparing results with experimental ones, a good fit was obtained with small deviations. The work was further developed by adding some statistical studies in order to achieve better understanding and interpretation to the estimated quantities by the simulation. Methane phase diagrams were successfully reproduced by an efficient molecular simulation technique with different potential models. This relatively simple demonstration shows how powerful molecular simulation methods could be, hence further applications on more complicated systems are considered. Prediction of phase behavior of elemental sulfur in sour natural gases has been an interesting and challenging field in oil and gas industry. Determination of elemental sulfur solubility conditions helps avoiding all kinds of problems caused by its dissolution in gas production and transportation processes. For this purpose, further enhancement to the methods used is to be considered in order to successfully simulate elemental sulfur phase behavior in sour natural gases mixtures.

  7. Phase diagram of the spin-3/2 Blume-Capel model in three dimensions.

    Science.gov (United States)

    Grollau, S

    2002-05-01

    We use a thermodynamically self-consistent theory to obtain the phase diagram of the ferromagnetic spin-3/2 Blume-Capel model on the simple cubic lattice. The theory is based on an Ornstein-Zernike approximation where the direct correlation function is truncated and the dependence upon the thermodynamic variables is determined by a set of two coupled partial differential equations. Within this framework, we localize the critical line in zero external field with high accuracy and in good agreement with previous Monte Carlo analysis. At low temperature, in contrast with Monte Carlo results, we find a first-order transition line ending at a critical end point whose coordinates are given by (k(B)T(c)/Jc=0.213+/-0.003,Delta(c)/Jc=0.491+/-0.001).

  8. Monte Carlo modeling the phase diagram of magnets with the Dzyaloshinskii - Moriya interaction

    Science.gov (United States)

    Belemuk, A. M.; Stishov, S. M.

    2017-11-01

    We use classical Monte Carlo calculations to model the high-pressure behavior of the phase transition in the helical magnets. We vary values of the exchange interaction constant J and the Dzyaloshinskii-Moriya interaction constant D, which is equivalent to changing spin-spin distances, as occurs in real systems under pressure. The system under study is self-similar at D / J = constant , and its properties are defined by the single variable J / T , where T is temperature. The existence of the first order phase transition critically depends on the ratio D / J . A variation of J strongly affects the phase transition temperature and width of the fluctuation region (the ;hump;) as follows from the system self-similarity. The high-pressure behavior of the spin system depends on the evolution of the interaction constants J and D on compression. Our calculations are relevant to the high pressure phase diagrams of helical magnets MnSi and Cu2OSeO3.

  9. Phase diagram of Hertzian spheres

    NARCIS (Netherlands)

    Pàmies, J.C.; Cacciuto, A.; Frenkel, D.

    2009-01-01

    We report the phase diagram of interpenetrating Hertzian spheres. The Hertz potential is purely repulsive, bounded at zero separation, and decreases monotonically as a power law with exponent 5/2, vanishing at the overlapping threshold. This simple functional describes the elastic interaction of

  10. The phase diagram in the SU(3) Nambu-Jona-Lasinio model with 't Hooft and eight-quark interactions

    International Nuclear Information System (INIS)

    Moreira, J.; Hiller, B.; Blin, A. H.; Osipov, A. A.

    2010-01-01

    It is shown that the endpoint of the first order transition line which merges into a crossover regime in the phase diagram of the Nambu--Jona-Lasinio model, extended to include the six-quark 't Hooft and eight-quark interaction Lagrangians, is pushed towards vanishing chemical potential and higher temperatures with increasing strength of the OZI-violating eight-quark interactions. We clarify a connection between the location of the endpoint in the phase diagram and the mechanism of chiral symmetry breaking at the quark level. Constraints on the coupling strengths based on groundstate stability and physical considerations are explained.

  11. Phase diagrams for surface alloys

    DEFF Research Database (Denmark)

    Christensen, Asbjørn; Ruban, Andrei; Stoltze, Per

    1997-01-01

    We discuss surface alloy phases and their stability based on surface phase diagrams constructed from the surface energy as a function of the surface composition. We show that in the simplest cases of pseudomorphic overlayers there are four generic classes of systems, characterized by the sign...... is based on density-functional calculations using the coherent-potential approximation and on effective-medium theory. We give self-consistent density-functional results for the segregation energy and surface mixing energy for all combinations of the transition and noble metals. Finally we discuss...

  12. Dynamic phase transition in the kinetic spin-32 Blume-Capel model: Phase diagrams in the temperature and crystal-field interaction plane

    International Nuclear Information System (INIS)

    Keskin, Mustafa; Canko, Osman; Deviren, Bayram

    2007-01-01

    We analyze, within a mean-field approach, the stationary states of the kinetic spin-32 Blume-Capel (BC) model by the Glauber-type stochastic dynamics and subject to a time-dependent oscillating external magnetic field. The dynamic phase transition (DPT) points are obtained by investigating the behavior of the dynamic magnetization as a function of temperature and as well as calculating the Liapunov exponent. Phase diagrams are constructed in the temperature and crystal-field interaction plane. We find five fundamental types of phase diagrams for the different values of the reduced magnetic field amplitude parameter (h) in which they present a disordered, two ordered phases and the coexistences phase regions. The phase diagrams also exhibit a dynamic double-critical end point for 0 5.06

  13. Dynamic phase transition in the kinetic spin-32 Blume-Capel model: Phase diagrams in the temperature and crystal-field interaction plane

    Energy Technology Data Exchange (ETDEWEB)

    Keskin, Mustafa [Department of Physics, Erciyes University, 38039 Kayseri (Turkey)]. E-mail: keskin@erciyes.edu.tr; Canko, Osman [Department of Physics, Erciyes University, 38039 Kayseri (Turkey); Deviren, Bayram [Department of Physics, Erciyes University, 38039 Kayseri (Turkey)

    2007-06-15

    We analyze, within a mean-field approach, the stationary states of the kinetic spin-32 Blume-Capel (BC) model by the Glauber-type stochastic dynamics and subject to a time-dependent oscillating external magnetic field. The dynamic phase transition (DPT) points are obtained by investigating the behavior of the dynamic magnetization as a function of temperature and as well as calculating the Liapunov exponent. Phase diagrams are constructed in the temperature and crystal-field interaction plane. We find five fundamental types of phase diagrams for the different values of the reduced magnetic field amplitude parameter (h) in which they present a disordered, two ordered phases and the coexistences phase regions. The phase diagrams also exhibit a dynamic double-critical end point for 05.06.

  14. Rabi lattice models with discrete gauge symmetry: Phase diagram and implementation in trapped-ion quantum simulators

    Science.gov (United States)

    Nevado, Pedro; Porras, Diego

    2015-07-01

    We study a spin-boson chain that exhibits a local Z2 symmetry. We investigate the quantum phase diagram of the model by means of perturbation theory, mean-field theory, and the density matrix renormalization group method. Our calculations show the existence of a first-order phase transition in the region where the boson quantum dynamics is slow compared to the spin-spin interactions. Our model can be implemented with trapped-ion quantum simulators, leading to a realization of minimal models showing local gauge invariance and first-order phase transitions.

  15. Application of Ab Initio Results in Modeling Phase Diagrams Containing Complex Phases

    Czech Academy of Sciences Publication Activity Database

    Šob, Mojmír; Kroupa, Aleš; Pavlů, Jana; Vřešťál, J.

    2012-01-01

    Roč. 6, č. 1 (2012), s. 39-47 ISSN 1880-9871 R&D Projects: GA ČR(CZ) GAP108/10/1908; GA MŠk(CZ) OC10008; GA MŠk LD11024; GA MŠk(CZ) ED1.1.00/02.0068 Institutional research plan: CEZ:AV0Z20410507 Keywords : computer aided analysis * iron and steel * phase transformations Subject RIV: BJ - Thermodynamics

  16. Magnetic phase diagram of a nanocone

    International Nuclear Information System (INIS)

    Suarez, O; Vargas, P; Escrig, J; Landeros, P; Albir, D; Laroze, D

    2008-01-01

    In this work we analyze the magnetic properties of truncated conical nanoparticles. Based on the continuous magnetic model we find expressions for the total energy in three different magnetic configurations. Finally, we calculate the magnetic phase diagram as function of the geometrical parameters.

  17. Magnetic phase diagram of a nanocone

    Energy Technology Data Exchange (ETDEWEB)

    Suarez, O; Vargas, P [Departamento de Fisica, Universidad Tecnica Federico Santa MarIa, P. O. Box 110-V, Valparaiso (Chile); Escrig, J; Landeros, P; Albir, D [Universidad de Santiago de Chile, Depatamento de Fisica, Casilla 307, Correo 2, Santiago (Chile); Laroze, D [Instituto de Fisica, Pontificia Universidad Catolica de Valparaiso, P. O. Box 4059, Valparaiso (Chile)], E-mail: omar.suarez@postgrado.usm.cl

    2008-11-01

    In this work we analyze the magnetic properties of truncated conical nanoparticles. Based on the continuous magnetic model we find expressions for the total energy in three different magnetic configurations. Finally, we calculate the magnetic phase diagram as function of the geometrical parameters.

  18. Phase diagram of the Blume-Emery-Griffiths model on the simple cubic lattice calculated by the linear chain approximation

    International Nuclear Information System (INIS)

    Albayrak, Erhan; Keskin, Mustafa

    2000-01-01

    The linear chain approximation is used to study the temperature dependence of the order parameters and the phase diagrams of the Blume-Emery-Griffiths model on the simple cubic lattice with dipole-dipole, quadrupole-quadrupole coupling strengths and a crystal-field interaction. The problem is approached introducing first a trial one-dimensional Hamiltonian whose free energy can be calculated exactly by the transfer matrix method. Then using the Bogoliubov variational principle, the free energy of the model is determined. It is assumed that the dipolar and quadrupolar intrachain coupling constants are much stronger than the corresponding interchain constants and confined the attention to the case of nearest-neighbor interactions. The phase transitions are examined and the phase diagrams are obtained for several values of the coupling strengths in the three different planes. A comparison with other approximate techniques is also made

  19. Phase diagram of the Blume-Emery-Griffiths model on the simple cubic lattice calculated by the linear chain approximation

    CERN Document Server

    Albayrak, E

    2000-01-01

    The linear chain approximation is used to study the temperature dependence of the order parameters and the phase diagrams of the Blume-Emery-Griffiths model on the simple cubic lattice with dipole-dipole, quadrupole-quadrupole coupling strengths and a crystal-field interaction. The problem is approached introducing first a trial one-dimensional Hamiltonian whose free energy can be calculated exactly by the transfer matrix method. Then using the Bogoliubov variational principle, the free energy of the model is determined. It is assumed that the dipolar and quadrupolar intrachain coupling constants are much stronger than the corresponding interchain constants and confined the attention to the case of nearest-neighbor interactions. The phase transitions are examined and the phase diagrams are obtained for several values of the coupling strengths in the three different planes. A comparison with other approximate techniques is also made.

  20. Dynamic phase transitions and dynamic phase diagrams of the spin-2 Blume-Capel model under an oscillating magnetic field within the effective-field theory

    Energy Technology Data Exchange (ETDEWEB)

    Ertas, Mehmet [Department of Physics, Erciyes University, 38039 Kayseri (Turkey); Institute of Science, Erciyes University, 38039 Kayseri (Turkey); Deviren, Bayram [Department of Physics, Nevsehir University, 50300 Nevsehir (Turkey); Keskin, Mustafa, E-mail: keskin@erciyes.edu.tr [Department of Physics, Erciyes University, 38039 Kayseri (Turkey)

    2012-03-15

    The dynamic phase transitions are studied in the kinetic spin-2 Blume-Capel model under a time-dependent oscillating magnetic field using the effective-field theory with correlations. The effective-field dynamic equation for the average magnetization is derived by employing the Glauber transition rates and the phases in the system are obtained by solving this dynamic equation. The nature (first- or second-order) of the dynamic phase transition is characterized by investigating the thermal behavior of the dynamic magnetization and the dynamic phase transition temperatures are obtained. The dynamic phase diagrams are constructed in the reduced temperature and magnetic field amplitude plane and are of seven fundamental types. Phase diagrams contain the paramagnetic (P), ferromagnetic-2 (F{sub 2}) and three coexistence or mixed phase regions, namely the F{sub 2}+P, F{sub 1}+P and F{sub 2}+F{sub 1}+P, which strongly depend on the crystal-field interaction (D) parameter. The system also exhibits the dynamic tricritical behavior. - Highlights: Black-Right-Pointing-Pointer Dynamic phase transitions are studied in spin-2 BC model using EFT. Black-Right-Pointing-Pointer Dynamic phase diagrams are constructed in (T/zJ, h/zJ) plane. Black-Right-Pointing-Pointer Seven fundamental types of dynamic phase diagrams are found in the system. Black-Right-Pointing-Pointer System exhibits dynamic tricritical behavior.

  1. Phase diagram, thermodynamic investigations, and modelling of systems relevant to lithium-ion batteries

    Energy Technology Data Exchange (ETDEWEB)

    Fuertauer, Siegfried; Beutl, Alexander; Flanorfer, Hans [Vienna Univ. (Austria). Dept. of Inorganic Chemistry - Functional Materials; Li, Dajian; Cupid, Damian [Karlsruhe Institute of Technology (KIT), Eggenstein-Leopoldshafen (Germany). Inst. for Applied Materials - Applied Materials Physics (IAM-AWP); Henriques, David; Giel, Hans; Markus, Thorsten [Mannheim Univ. of Applied Sciences (Germany). Inst. for Thermo- and Fluiddynamics

    2017-11-15

    This article reports on two consecutive joint projects titled ''Experimental Thermodynamics and Phase Relations of New Electrode Materials for Lithium-Ion Batteries'', which were performed in the framework of the WenDeLIB 1473 priority program ''Materials with new Design for Lithium Ion Batteries''. Hundreds of samples were synthesized using experimental techniques specifically developed to deal with highly reactive lithium and lithium-containing compounds to generate electrochemical, phase diagram and crystal structure data in the Cu-Li, Li-Sn, Li-Sb, Cu-Li-Sn, Cu-Li-Sb and selected oxide systems. The thermochemical and phase diagram data were subsequently used to develop self-consistent thermodynamic descriptions of several binary systems. In the present contribution, the experimental techniques, working procedures, results and their relevance to the development of new electrode materials for lithium ion batteries are discussed and summarized. The collaboration between the three groups has resulted in more than fifteen (15) published articles during the six-year funding period.

  2. Multicritical dynamical phase diagrams of the kinetic Blume-Emery-Griffiths model with repulsive biquadratic coupling in an oscillating field

    Energy Technology Data Exchange (ETDEWEB)

    Temizer, Umuet [Department of Physics, Bozok University, 66100 Yozgat (Turkey); Kantar, Ersin [Institute of Science, Erciyes University, 38039 Kayseri (Turkey); Keskin, Mustafa [Department of Physics, Erciyes University, 38039 Kayseri (Turkey)], E-mail: keskin@erciyes.edu.tr; Canko, Osman [Department of Physics, Erciyes University, 38039 Kayseri (Turkey)

    2008-06-15

    We study, within a mean-field approach, the stationary states of the kinetic Blume-Emery-Griffiths model with repulsive biquadratic coupling under the presence of a time-varying (sinusoidal) magnetic field. We employ the Glauber-type stochastic dynamics to construct set of dynamic equations of motion. The behavior of the time dependence of the order parameters and the behavior of the average order parameters in a period, which is also called the dynamic order parameters, as functions of the reduced temperature are investigated. The dynamic phase transition points are calculated and phase diagrams are presented in the reduced magnetic field amplitude and reduced temperature plane. The dynamical transition from one regime to the other can be of first- or second order depending on the region in the phase diagram. According to the values of the crystal field interaction or single-ion anisotropy constant and biquadratic exchange constant, we find 20 fundamental types of phase diagrams which exhibit many dynamic critical points, such as tricritical points, zero-temperature critical points, double critical end points, critical end point, triple point and multicritical point. Moreover, besides a disordered and ordered phases, seven coexistence phase regions exist in the system.

  3. Finite-temperature Gutzwiller approximation and the phase diagram of a toy model for V2O3

    Science.gov (United States)

    Sandri, Matteo; Capone, Massimo; Fabrizio, Michele

    2013-05-01

    We exploit exact inequalities that refer to the entropy of a distribution to derive a simple variational principle at finite temperature for trial density matrices of Gutzwiller and Jastrow type. We use the result to extend at finite temperature the Gutzwiller approximation, which we apply to study a two-orbital model that we believe captures some essential features of V2O3. We indeed find that the phase diagram of the model bears many similarities to that of real vanadium sesquioxide. In addition, we show that in a Bethe lattice, where the finite-temperature Gutzwiller approximation provides a rigorous upper bound of the actual free energy, the results compare well with the exact phase diagram obtained by dynamical mean-field theory.

  4. Multicritical phase diagrams of the Blume-Emery-Griffiths model with repulsive biquadratic coupling including metastable phases: the pair approximation and the path probability method with pair distribution

    International Nuclear Information System (INIS)

    Keskin, Mustafa; Erdinc, Ahmet

    2004-01-01

    As a continuation of the previously published work, the pair approximation of the cluster variation method is applied to study the temperature dependences of the order parameters of the Blume-Emery-Griffiths model with repulsive biquadratic coupling on a body centered cubic lattice. We obtain metastable and unstable branches of the order parameters besides the stable branches and phase transitions of these branches are investigated extensively. We study the dynamics of the model by the path probability method with pair distribution in order to make sure that we find and define the metastable and unstable branches of the order parameters completely and correctly. We present the metastable phase diagram in addition to the equilibrium phase diagram and also the first-order phase transition line for the unstable branches of the quadrupole order parameter is superimposed on the phase diagrams. It is found that the metastable phase diagram and the first-order phase boundary for the unstable quadrupole order parameter always exist at the low temperatures which are consistent with experimental and theoretical works

  5. High temperature phase equilibria and phase diagrams

    CERN Document Server

    Kuo, Chu-Kun; Yan, Dong-Sheng

    2013-01-01

    High temperature phase equilibria studies play an increasingly important role in materials science and engineering. It is especially significant in the research into the properties of the material and the ways in which they can be improved. This is achieved by observing equilibrium and by examining the phase relationships at high temperature. The study of high temperature phase diagrams of nonmetallic systems began in the early 1900s when silica and mineral systems containing silica were focussed upon. Since then technical ceramics emerged and more emphasis has been placed on high temperature

  6. Phase Coexistence in a Dynamic Phase Diagram.

    Science.gov (United States)

    Gentile, Luigi; Coppola, Luigi; Balog, Sandor; Mortensen, Kell; Ranieri, Giuseppe A; Olsson, Ulf

    2015-08-03

    Metastability and phase coexistence are important concepts in colloidal science. Typically, the phase diagram of colloidal systems is considered at the equilibrium without the presence of an external field. However, several studies have reported phase transition under mechanical deformation. The reason behind phase coexistence under shear flow is not fully understood. Here, multilamellar vesicle (MLV)-to-sponge (L3 ) and MLV-to-Lα transitions upon increasing temperature are detected using flow small-angle neutron scattering techniques. Coexistence of Lα and MLV phases at 40 °C under shear flow is detected by using flow NMR spectroscopy. The unusual rheological behavior observed by studying the lamellar phase of a non-ionic surfactant is explained using (2) H NMR and diffusion flow NMR spectroscopy with the coexistence of planar lamellar-multilamellar vesicles. Moreover, a dynamic phase diagram over a wide range of temperatures is proposed. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  7. Dynamical phase diagrams of a love capacity constrained prey-predator model

    Science.gov (United States)

    Simin, P. Toranj; Jafari, Gholam Reza; Ausloos, Marcel; Caiafa, Cesar Federico; Caram, Facundo; Sonubi, Adeyemi; Arcagni, Alberto; Stefani, Silvana

    2018-02-01

    One interesting question in love relationships is: finally, what and when is the end of this love relationship? Using a prey-predator Verhulst-Lotka-Volterra (VLV) model we imply cooperation and competition tendency between people in order to describe a "love dilemma game". We select the most simple but immediately most complex case for studying the set of nonlinear differential equations, i.e. that implying three persons, being at the same time prey and predator. We describe four different scenarios in such a love game containing either a one-way love or a love triangle. Our results show that it is hard to love more than one person simultaneously. Moreover, to love several people simultaneously is an unstable state. We find some condition in which persons tend to have a friendly relationship and love someone in spite of their antagonistic interaction. We demonstrate the dynamics by displaying flow diagrams.

  8. Some results on the phase diagram of the 2D Hubbard model using an analytic Lanczos method

    International Nuclear Information System (INIS)

    Wellard, C.J.; Witte, N.S.; Hollenberg, L.C.L.

    1998-01-01

    Aspects of the ground state phase diagram of the two-dimensional Hubbard Model have been determined using a new non-perturbative method based on an analytic formulation of the Lanczos algorithm. The ground state energy for arbitrary repulsion U/t and density n has been calculated using a number of trial states which are expected to be qualitatively correct in certain regimes of this model - the paramagnetic Fermi sea and the Hartree-Fock Spin Density Wave state. We find large corrections to the mean-field result that shift the paramagnetic-ferromagnetic transition to higher values of U/t and closer to half-filling. (authors)

  9. Phase diagrams of a spin-1/2 transverse Ising model with three-peak random field distribution

    International Nuclear Information System (INIS)

    Bassir, A.; Bassir, C.E.; Benyoussef, A.; Ez-Zahraouy, H.

    1996-07-01

    The effect of the transverse magnetic field on the phase diagrams structures of the Ising model in a random longitudinal magnetic field with a trimodal symmetric distribution is investigated within a finite cluster approximation. We find that a small magnetizations ordered phase (small ordered phase) disappears completely for a sufficiently large value of the transverse field or/and large value of the concentration of the disorder of the magnetic field. Multicritical behaviour and reentrant phenomena are discussed. The regions where the tricritical, reentrant phenomena and the small ordered phase persist are delimited as a function of the transverse field and the concentration p. Longitudinal magnetizations are also presented. (author). 33 refs, 6 figs

  10. Phase Diagrams of Three-Dimensional Anderson and Quantum Percolation Models Using Deep Three-Dimensional Convolutional Neural Network

    Science.gov (United States)

    Mano, Tomohiro; Ohtsuki, Tomi

    2017-11-01

    The three-dimensional Anderson model is a well-studied model of disordered electron systems that shows the delocalization-localization transition. As in our previous papers on two- and three-dimensional (2D, 3D) quantum phase transitions [https://doi.org/10.7566/JPSJ.85.123706" xlink:type="simple">J. Phys. Soc. Jpn. 85, 123706 (2016), https://doi.org/10.7566/JPSJ.86.044708" xlink:type="simple">86, 044708 (2017)], we used an image recognition algorithm based on a multilayered convolutional neural network. However, in contrast to previous papers in which 2D image recognition was used, we applied 3D image recognition to analyze entire 3D wave functions. We show that a full phase diagram of the disorder-energy plane is obtained once the 3D convolutional neural network has been trained at the band center. We further demonstrate that the full phase diagram for 3D quantum bond and site percolations can be drawn by training the 3D Anderson model at the band center.

  11. The Zr-Pt system. Experimental determination of the phase equilibrium conditions, and obtention of the diagram by thermodynamical modeling

    International Nuclear Information System (INIS)

    Alonso, Regina P.

    1997-01-01

    Two regions in the zirconium-platinum system (Zr-Pt) were investigated, namely, the zirconium rich and the platinum rich regions. With this purpose, five alloys were obtained. The performed experiences consisted on heat treatments and electrical resistivity variations with temperature measurements. The appearing phases were analyzed by optical and scanning electron microscopy (SEM), quantitative microanalysis and X-ray diffraction techniques. Besides that, the existing phases in the rich zirconium region between 0 and 50 % at. Pt were thermodynamically modelled and the resulting diagram was calculated by means of the Thermocalc computational program. Several proposals were formulated: a) A change in the eutectoid transformation temperature βZr ↔ αZr + pp (800 C degrees according to this work); b) The existence of the phase Zr 3 Pt in the equilibrium diagram; c) The existence of the peritectic transformation Liquid + Zr 5 Pt 3 ↔ Zr 3 Pt; d) The occurrence of the two - phases region ZrPt 3 + ZrPt 8 between 1050 and 1320 C degrees, and finally; e) The occurrence of the peritectic transformation ZrPt 3 + Liquid ↔ γPt was verified. (author)

  12. Simulation of Few Bifurcation Phase Diagrams of Belousov-Zhabotinsky Reaction with Eleven Variable Chaotic Model in CSTR

    Directory of Open Access Journals (Sweden)

    B. Swathi

    2009-01-01

    Full Text Available Simulation of the Gyorgyi, Rempe and Field eleven variable chaotic model in CSTR [Continuously Stirred Tank Reactor] is performed with respect to the concentrations of malonic acid and [Ce(III]. These simulation studies show steady state, periodic and non-periodic regions. These studies have been presented as two variable bifurcation phase diagrams. We also have observed the bursting phenomenon under different set of constraints. We have given much importance on computer simulation work but not included the experimental methods in this paper.

  13. Phase diagram of the hexagonal lattice quantum dimer model: Order parameters, ground-state energy, and gaps

    Science.gov (United States)

    Schlittler, Thiago M.; Mosseri, Rémy; Barthel, Thomas

    2017-11-01

    The phase diagram of the quantum dimer model on the hexagonal (honeycomb) lattice is computed numerically, extending on earlier work by Moessner, Sondhi, and Chandra. The different ground state phases are studied in detail using several local and global observables. In addition, we analyze imaginary-time correlation functions to determine ground state energies as well as gaps to the first excited states. This leads in particular to a confirmation that the intermediary so-called plaquette phase is gapped. On the technical side, we describe an efficient world-line quantum Monte Carlo algorithm with improved cluster updates that increase acceptance probabilities by taking account of potential terms of the Hamiltonian during the cluster construction. The Monte Carlo simulations are supplemented with variational computations.

  14. Phase Diagram of Planar Matrix Quantum Mechanics, Tensor, and Sachdev-Ye-Kitaev Models

    Science.gov (United States)

    Azeyanagi, Tatsuo; Ferrari, Frank; Massolo, Fidel I. Schaposnik

    2018-02-01

    We study the Schwinger-Dyson equations of a fermionic planar matrix quantum mechanics [or tensor and Sachdev-Ye-Kitaev (SYK) models] at leading melonic order. We find two solutions describing a high entropy, SYK black-hole-like phase and a low entropy one with trivial IR behavior. There is a line of first order phase transitions that terminates at a new critical point. Critical exponents are nonmean field and differ on the two sides of the transition. Interesting phenomena are also found in unstable and stable bosonic models, including Kazakov critical points and inconsistency of SYK-like solutions of the IR limit.

  15. Phase Diagram of Planar Matrix Quantum Mechanics, Tensor, and Sachdev-Ye-Kitaev Models.

    Science.gov (United States)

    Azeyanagi, Tatsuo; Ferrari, Frank; Massolo, Fidel I Schaposnik

    2018-02-09

    We study the Schwinger-Dyson equations of a fermionic planar matrix quantum mechanics [or tensor and Sachdev-Ye-Kitaev (SYK) models] at leading melonic order. We find two solutions describing a high entropy, SYK black-hole-like phase and a low entropy one with trivial IR behavior. There is a line of first order phase transitions that terminates at a new critical point. Critical exponents are nonmean field and differ on the two sides of the transition. Interesting phenomena are also found in unstable and stable bosonic models, including Kazakov critical points and inconsistency of SYK-like solutions of the IR limit.

  16. Effective-field theory for dynamic phase diagrams of the kinetic spin-3/2 Blume–Capel model under a time oscillating longitudinal field

    Energy Technology Data Exchange (ETDEWEB)

    Ertaş, Mehmet [Department of Physics, Erciyes University, 38039 Kayseri (Turkey); Kocakaplan, Yusuf [Institute of Science, Erciyes University, 38039 Kayseri (Turkey); Keskin, Mustafa, E-mail: keskin@erciyes.edu.tr [Department of Physics, Erciyes University, 38039 Kayseri (Turkey)

    2013-12-15

    Dynamic phase diagrams are presented for the kinetic spin-3/2 Blume–Capel model under a time oscillating longitudinal field by use of the effective-field theory with correlations. The dynamic equation of the average magnetization is obtained for the square lattice by utilizing the Glauber-type stochastic process. Dynamic phase diagrams are presented in the reduced temperature and the magnetic field amplitude plane. We also investigated the effect of longitudinal field frequency. Finally, the discussion and comparison of the phase diagrams are given. - Highlights: • Dynamic behaviors in the spin-3/2 Blume–Capel system is investigated by the effective-field theory based on the Glauber-type stochastic dynamics. • The dynamic phase transitions and dynamic phase diagrams are obtained. • The effects of the longitudinal field frequency on the dynamic phase diagrams of the system are investigated. • Dynamic phase diagrams exhibit several ordered phases, coexistence phase regions and several critical points as well as a re-entrant behavior.

  17. Effective-field theory for dynamic phase diagrams of the kinetic spin-3/2 Blume–Capel model under a time oscillating longitudinal field

    International Nuclear Information System (INIS)

    Ertaş, Mehmet; Kocakaplan, Yusuf; Keskin, Mustafa

    2013-01-01

    Dynamic phase diagrams are presented for the kinetic spin-3/2 Blume–Capel model under a time oscillating longitudinal field by use of the effective-field theory with correlations. The dynamic equation of the average magnetization is obtained for the square lattice by utilizing the Glauber-type stochastic process. Dynamic phase diagrams are presented in the reduced temperature and the magnetic field amplitude plane. We also investigated the effect of longitudinal field frequency. Finally, the discussion and comparison of the phase diagrams are given. - Highlights: • Dynamic behaviors in the spin-3/2 Blume–Capel system is investigated by the effective-field theory based on the Glauber-type stochastic dynamics. • The dynamic phase transitions and dynamic phase diagrams are obtained. • The effects of the longitudinal field frequency on the dynamic phase diagrams of the system are investigated. • Dynamic phase diagrams exhibit several ordered phases, coexistence phase regions and several critical points as well as a re-entrant behavior

  18. Dynamic phase transition in the kinetic spin-1 Blume-Capel model: Phase diagrams in the temperature and crystal-field interaction plane

    International Nuclear Information System (INIS)

    Keskin, M.; Canko, O.; Temizer, U.

    2007-01-01

    Within a mean-field approach, the stationary states of the kinetic spin-1 Blume-Capel model in the presence of a time-dependent oscillating external magnetic field is studied. The Glauber-type stochastic dynamics is used to describe the time evolution of the system and obtain the mean-field dynamic equation of motion. The dynamic phase-transition points are calculated and phase diagrams are presented in the temperature and crystal-field interaction plane. According to the values of the magnetic field amplitude, three fundamental types of phase diagrams are found: One exhibits a dynamic tricritical point, while the other two exhibit a dynamic zero-temperature critical point

  19. The phase diagrams and compensation behaviors of mixed spin Blume-Capel model in a trimodal magnetic field

    Energy Technology Data Exchange (ETDEWEB)

    Zhang, Y.F. [Department of Physics, Suzhou University, Suzhou 215006 (China); Yan, S.L. [Department of Physics, Suzhou University, Suzhou 215006 (China); Jiangsu Key Loboratory of Film Materials, Suzhou University, Suzhou 215006 (China); CCAST (World Laboratory), PO Box 8730, Beijing 100080 (China)], E-mail: slyan@suda.edu.cn

    2008-04-07

    The phase diagrams and compensation behaviors of mixed spin-1/2 and spin-1 Blume-Capel model in a trimodal magnetic field are investigated in the framework of the effective field theory on simple cubic lattice. The change of negative crystal field and trimodal concentration can affect the TCP, the second-order phase and the magnetic field degeneration at ground state in T-H space. In T-D space, the trajectory of the TCP takes on the acre curve and there exist the two TCPs under certain condition. In addition to giving one or two compensation temperature points in M-T space, the mixed spin Blume-Capel model also provides one or two novel compensation magnetic field points in M-H space. Some results are not revealed in previous works.

  20. Phase Diagram and Sweep Dynamics of a One-Dimensional Generalized Cluster Model

    Science.gov (United States)

    Ohta, Takumi; Tanaka, Shu; Danshita, Ippei; Totsuka, Keisuke

    2015-06-01

    We numerically study quantum phase transitions and dynamical properties in the one-dimensional cluster model with several interactions by using the time-evolving block decimation method for infinite systems and the exact diagonalization. First, boundaries among several quantum phases of the model are determined from energy gap and each phase is characterized by order parameters and the entanglement spectrum (ES). We confirm that in the model with open boundary condition the degeneracy of the lowest levels in the ES corresponds to that of the ground states. Then, using the time-dependent Bogoliubov transformation with open boundary condition, we investigate dynamical properties during an interaction sweep through the critical point which separates two topological phases involving four-fold degeneracy in the ground state. After a slow sweep across the critical point, we observe spatially periodic structures in the string correlation functions and the entanglement entropy. It is shown that the periodicities stem from the Bogoliubov quasiparticles generated near the critical point.

  1. Differential delay equations in chemical kinetics. Nonlinear models: The cross-shaped phase diagram and the Oregonator

    Science.gov (United States)

    Epstein, Irving R.; Luo, Yin

    1991-07-01

    Delayed feedback plays a key role in most, if not all chemical oscillators. We derive general results useful in the linear stability analysis of models that explicitly incorporate delay by using differential delay equations. Two models of nonlinear chemical oscillators, the cross-shaped phase diagram model of Boissonade and De Kepper and the Oregonator, are modified by deleting a feedback species and mimicking its effect by a delay in the kinetics of another variable. With an appropriate choice of the delay time, the reduced models behave very much like the full systems. It should be possible to carry out similar reductions on more complex mechanisms of oscillating reactions, thereby providing insight into the role of delayed feedback in these systems.

  2. Astrophysics implication of dense matter phase diagram

    International Nuclear Information System (INIS)

    Sedrakian, A.

    2010-01-01

    I will discuss the ways that astrophysics can help us to understand the phase diagram of dense matter. The examples will include gravitational wave from compact stars, cooling of compact stars, and effects on vorticity on compact star dynamics. (author)

  3. Ferroelectric Phase Diagram of PVDF:PMMA

    OpenAIRE

    Li, Mengyuan; Stingelin, Natalie; Michels, Jasper J.; Spijkman, Mark-Jan; Asadi, Kamal; Feldman, Kirill; Blom, Paul W. M.; de Leeuw, Dago M.

    2012-01-01

    We have investigated the ferroelectric phase diagram of poly(vinylidene fluoride) (PVDF) and poly(methyl methacrylate) (PMMA). The binary nonequilibrium temperature composition diagram was determined and melting of alpha- and beta-phase PVDF was identified. Ferroelectric beta-PVDF:PMMA blend films were made by melting, ice quenching, and subsequent annealing above the glass transition temperature of PMMA, close to the melting temperature of PVDF. Addition of PMMA suppresses the crystallizatio...

  4. Cu–Ni nanoalloy phase diagram – Prediction and experiment

    Czech Academy of Sciences Publication Activity Database

    Sopoušek, J.; Vřešťál, J.; Pinkas, J.; Brož, P.; Buršík, Jiří; Stýskalík, A.; Škoda, D.; Zobač, O.; Lee, J.

    2014-01-01

    Roč. 45, June (2014), s. 33-39 ISSN 0364-5916 Institutional support: RVO:68081723 Keywords : nanoalloy * phase diagram * thermodynamic modeling Subject RIV: BJ - Thermodynamics Impact factor: 1.370, year: 2014

  5. Multicritical phase diagrams of the spin-((3)/(2)) Blume-Emery-Griffiths model on the Bethe lattice using the recursion method

    International Nuclear Information System (INIS)

    Ekiz, Cesur; Albayrak, Erhan; Keskin, Mustafa.

    2003-01-01

    The multicritical behaviour of the spin-((3)/(2)) Blume-Emery-Griffiths model with bilinear and biquadratic exchange interactions and single-ion crystal field is studied on the Bethe lattice by introducing two-sublattices A and B within the exact recursion equations. Exact expressions for the free energy, the Curie or second-order phase transition temperatures, as well as for the magnetization and quadrupolar moment order parameters are obtained. The general procedure of investigation of critical properties is discussed and phase diagrams are obtained, in particular, for negative biquadratic couplings. The phase diagram of the model exhibits a rich variety of behaviours. Results are compared with other approximate methods

  6. Phase diagram of the restricted primitive model: charge-ordering instability

    Directory of Open Access Journals (Sweden)

    O.V.Patsahan

    2004-01-01

    Full Text Available We study the phase behaviour of the restricted primitive model (RPM using a microscopic approach based on the method of collective variables with a reference system. Starting from the Hamiltonian of the RPM we derive the functional of the grand partition function given in terms of the two collective variables: the collective variables ρk and ck describing fluctuations of the total number density and charge density, respectively. Within the framework of the Gaussian approximation we found the boundary of stability with respect to fluctuations of the charge density. It is shown that due to the approximated character of the theory the boundary of stability is very sensitive to the particular choice of the long-range part of potential inside the hard core. This point is discussed in more detail.

  7. Phase diagram of the quantum Ising model with long-range interactions on an infinite-cylinder triangular lattice

    Science.gov (United States)

    Saadatmand, S. N.; Bartlett, S. D.; McCulloch, I. P.

    2018-04-01

    Obtaining quantitative ground-state behavior for geometrically-frustrated quantum magnets with long-range interactions is challenging for numerical methods. Here, we demonstrate that the ground states of these systems on two-dimensional lattices can be efficiently obtained using state-of-the-art translation-invariant variants of matrix product states and density-matrix renormalization-group algorithms. We use these methods to calculate the fully-quantitative ground-state phase diagram of the long-range interacting triangular Ising model with a transverse field on six-leg infinite-length cylinders and scrutinize the properties of the detected phases. We compare these results with those of the corresponding nearest neighbor model. Our results suggest that, for such long-range Hamiltonians, the long-range quantum fluctuations always lead to long-range correlations, where correlators exhibit power-law decays instead of the conventional exponential drops observed for short-range correlated gapped phases. Our results are relevant for comparisons with recent ion-trap quantum simulator experiments that demonstrate highly-controllable long-range spin couplings for several hundred ions.

  8. Model FORC diagrams for hybrid magnetic elastomers

    International Nuclear Information System (INIS)

    Vaganov, M.V.; Linke, J.; Odenbach, S.; Raikher, Yu.L.

    2017-01-01

    We propose a model of hybrid magnetic elastomers filled with a mixture of magnetically soft and magnetically hard microparticles. The magnetically hard particles are described by the Stoner–Wohlfarth model, the magnetically soft phase obeys the Fröhlich–Kennelly equation. The interaction between the two types of particles is described by the mean-field approach. First-order reversal curve (FORC) diagrams were calculated for different values of the elastomer matrix elasticity. We demonstrate that the diagrams display specific new features, which identify the presence of both a deformable matrix and the two types of magnetic particles. - Highlights: • A model of hybrid magnetic elastomers is proposed. • The magnetically hard particles are described by the Stoner–Wohlfarth model. • The magnetically soft phase obeys the Fröhlich–Kennelly equation. The interaction between the phases is described by the mean-field approach. • FORC diagrams are calculated for different values of the elastomer matrix elasticity.

  9. Phase diagram distortion from traffic parameter averaging.

    NARCIS (Netherlands)

    Stipdonk, H. Toorenburg, J. van & Postema, M.

    2010-01-01

    Motorway traffic congestion is a major bottleneck for economic growth. Therefore, research of traffic behaviour is carried out in many countries. Although well describing the undersaturated free flow phase as an almost straight line in a (k,q)-phase diagram, congested traffic observations and

  10. Phase diagram of charged dumbbells: a random phase approximation approach.

    Science.gov (United States)

    Kudlay, Alexander; Ermoshkin, Alexander V; de la Cruz, Monica Olvera

    2004-08-01

    The phase diagram of the charged hard dumbbell system (hard spheres of opposite unit charge fixed at contact) is obtained with the use of the random phase approximation (RPA). The effect of the impenetrability of charged spheres on charge-charge fluctuations is described by introduction of a modified electrostatic potential. The correlations of ions in a pair are included via a correlation function in the RPA. The coexistence curve is in good agreement with Monte Carlo simulations. The relevance of the theory to the restricted primitive model is discussed.

  11. Towards a phase diagram for spin foams

    Science.gov (United States)

    Delcamp, Clement; Dittrich, Bianca

    2017-11-01

    One of the most pressing issues for loop quantum gravity and spin foams is the construction of the continuum limit. In this paper, we propose a systematic coarse-graining scheme for three-dimensional lattice gauge models including spin foams. This scheme is based on the concept of decorated tensor networks, which have been introduced recently. Here we develop an algorithm applicable to gauge theories with non-Abelian groups, which for the first time allows for the application of tensor network coarse-graining techniques to proper spin foams. The procedure deals efficiently with the large redundancy of degrees of freedom resulting from gauge invariance. The algorithm is applied to 3D spin foams defined on a cubical lattice which, in contrast to a proper triangulation, allows for non-trivial simplicity constraints. This mimics the construction of spin foams for 4D gravity. For lattice gauge models based on a finite group we use the algorithm to obtain phase diagrams, encoding the continuum limit of a wide range of these models. We find phase transitions for various families of models carrying non-trivial simplicity constraints.

  12. The iron-niobium phase diagram

    Energy Technology Data Exchange (ETDEWEB)

    Zelaya Bejarano, J.M. (Universidade Estadual de Campinas (Brazil). Centro de Tecnologia); Gama, S. (Universidade Estadual de Campinas (Brazil). Inst. de Fisica Gleb Wataghin); Ribeiro, C.A. (Universidade Estadual de Campinas (Brazil). Inst. de Fisica Gleb Wataghin); Effenberg, G. (Materials Science International Services GmbH, Stuttgart (Germany))

    1993-03-01

    This work presents an experimental study of the binary Fe-Nb phase diagram, using techniques al optical metallography, X-ray diffraction. Differential Thermal Analysis (DTA) and electron microprobe. Our results re-define the existence range for the phases Fe[sub 2]Nb and Fe[sub 21]Nb[sub 19], point out the peritectic nature of the latter phase, and indicate the metastability of the Fe[sub 2]Nb[sub 3] phase and the non-existence of a high-temperature phase with stoichiometry Fe[sub 11]Nb[sub 89] in this system. (orig.)

  13. Uranium phase diagram from first principles

    Science.gov (United States)

    Yanilkin, Alexey; Kruglov, Ivan; Migdal, Kirill; Oganov, Artem; Pokatashkin, Pavel; Sergeev, Oleg

    2017-06-01

    The work is devoted to the investigation of uranium phase diagram up to pressure of 1 TPa and temperature of 15 kK based on density functional theory. First of all the comparison of pseudopotential and full potential calculations is carried out for different uranium phases. In the second step, phase diagram at zero temperature is investigated by means of program USPEX and pseudopotential calculations. Stable and metastable structures with close energies are selected. In order to obtain phase diagram at finite temperatures the preliminary selection of stable phases is made by free energy calculation based on small displacement method. For remaining candidates the accurate values of free energy are obtained by means of thermodynamic integration method (TIM). For this purpose quantum molecular dynamics are carried out at different volumes and temperatures. Interatomic potentials based machine learning are developed in order to consider large systems and long times for TIM. The potentials reproduce the free energy with the accuracy 1-5 meV/atom, which is sufficient for prediction of phase transitions. The equilibrium curves of different phases are obtained based on free energies. Melting curve is calculated by modified Z-method with developed potential.

  14. Quantum Simulation and Phase Diagram of the Transverse Field Ising Model with Three Atomic Spins

    Science.gov (United States)

    2010-05-25

    for nine different combina- tions of J1 and J2 set by the beatnote detuning µ from Eq. 2. In Fig. 3 we present the results as a 3D plot of the FM or...be extended to simulate Heisenberg or XYZ spin models using additional laser beams [12]. This work is supported under Army Research Office (ARO) Award

  15. Phase diagram of 2D Hubbard model by simulated annealing mean field approximation

    International Nuclear Information System (INIS)

    Kato, Masaru; Kitagaki, Takashi

    1991-01-01

    In order to investigate the stable magnetic structure of the Hubbard model on a square lattice, we utilize the dynamical simulated annealing method which proposed by R. Car and M. Parrinello. Results of simulations on a 10 x 10 lattice system with 80 electrons under assumption of collinear magnetic structure that the most stable state is incommensurate spin density wave state with periodic domain wall. (orig.)

  16. Isomorphs in the phase diagram of a model liquid without inverse power law repulsion

    DEFF Research Database (Denmark)

    Veldhorst, Arnold Adriaan; Bøhling, Lasse; Dyre, J. C.

    2012-01-01

    scattering function are calculated. The results are shown to reflect a hidden scale invariance; despite its exponential repulsion the Buckingham potential is well approximated by an inverse power-law plus a linear term in the region of the first peak of the radial distribution function. As a consequence...... the dynamics of the viscous Buckingham liquid is mimicked by a corresponding model with purely repulsive inverse-power-law interactions. The results presented here closely resemble earlier results for Lennard-Jones type liquids, demonstrating that the existence of strong correlations and isomorphs does...... not depend critically on the mathematical form of the repulsion being an inverse power law....

  17. Phase diagram of an extended Hubbard model with correlated hopping at half filling

    Science.gov (United States)

    Aligia, A. A.; Arrachea, Liliana; Gagliano, E. R.

    1995-05-01

    We study a generalized Hubbard model with on-site interaction U, nearest-neighbor repulsion V, and general correlated hopping under the condition that the number of doubly occupied sites is conserved. We find the exact ground state (GS) in arbitrary dimension in two wide regions of parameters. In one of them the GS is a Mott insulator (MI) and in the other it is a charge-density wave (CDW). The boundary of the MI and a large part of that of the CDW are determined exactly for relevant lattices. We study numerically the effect of relaxing the above-mentioned condition.

  18. Phase diagram of an extended Hubbard model with correlated hopping at half filling

    Energy Technology Data Exchange (ETDEWEB)

    Aligia, A.A.; Arrachea, L.; Gagliano, E.R. [Centro Atomico Bariloche and Instituto Balseiro, Comision Nacional de Energia Atomica, 8400 S.C. de Bariloche (Argentina)

    1995-05-15

    We study a generalized Hubbard model with on-site interaction {ital U}, nearest-neighbor repulsion {ital V}, and general correlated hopping under the condition that the number of doubly occupied sites is conserved. We find the exact ground state (GS) in arbitrary dimension in two wide regions of parameters. In one of them the GS is a Mott insulator (MI) and in the other it is a charge-density wave (CDW). The boundary of the MI and a large part of that of the CDW are determined exactly for relevant lattices. We study numerically the effect of relaxing the above-mentioned condition.

  19. Infrared thermography method for fast estimation of phase diagrams

    Energy Technology Data Exchange (ETDEWEB)

    Palomo Del Barrio, Elena [Université de Bordeaux, Institut de Mécanique et d’Ingénierie, Esplanade des Arts et Métiers, 33405 Talence (France); Cadoret, Régis [Centre National de la Recherche Scientifique, Institut de Mécanique et d’Ingénierie, Esplanade des Arts et Métiers, 33405 Talence (France); Daranlot, Julien [Solvay, Laboratoire du Futur, 178 Av du Dr Schweitzer, 33608 Pessac (France); Achchaq, Fouzia, E-mail: fouzia.achchaq@u-bordeaux.fr [Université de Bordeaux, Institut de Mécanique et d’Ingénierie, Esplanade des Arts et Métiers, 33405 Talence (France)

    2016-02-10

    Highlights: • Infrared thermography is proposed to determine phase diagrams in record time. • Phase boundaries are detected by means of emissivity changes during heating. • Transition lines are identified by using Singular Value Decomposition techniques. • Different binary systems have been used for validation purposes. - Abstract: Phase change materials (PCM) are widely used today in thermal energy storage applications. Pure PCMs are rarely used because of non adapted melting points. Instead of them, mixtures are preferred. The search of suitable mixtures, preferably eutectics, is often a tedious and time consuming task which requires the determination of phase diagrams. In order to accelerate this screening step, a new method for estimating phase diagrams in record time (1–3 h) has been established and validated. A sample composed by small droplets of mixtures with different compositions (as many as necessary to have a good coverage of the phase diagram) deposited on a flat substrate is first prepared and cooled down to ambient temperature so that all droplets crystallize. The plate is then heated at constant heating rate up to a sufficiently high temperature for melting all the small crystals. The heating process is imaged by using an infrared camera. An appropriate method based on singular values decomposition technique has been developed to analyze the recorded images and to determine the transition lines of the phase diagram. The method has been applied to determine several simple eutectic phase diagrams and the reached results have been validated by comparison with the phase diagrams obtained by Differential Scanning Calorimeter measurements and by thermodynamic modelling.

  20. Phase diagram of heteronuclear Janus dumbbells

    Science.gov (United States)

    O'Toole, Patrick; Giacometti, Achille; Hudson, Toby

    Using Aggregation-Volume-Bias Monte Carlo simulations along with Successive Umbrella Sampling and Histogram Re-weighting, we study the phase diagram of a system of dumbbells formed by two touching spheres having variable sizes, as well as different interaction properties. The first sphere ($h$) interacts with all other spheres belonging to different dumbbells with a hard-sphere potential. The second sphere ($s$) interacts via a square-well interaction with other $s$ spheres belonging to different dumbbells and with a hard-sphere potential with all remaining $h$ spheres. We focus on the region where the $s$ sphere is larger than the $h$ sphere, as measured by a parameter $1\\le \\alpha\\le 2 $ controlling the relative size of the two spheres. As $\\alpha \\to 2$ a simple fluid of square-well spheres is recovered, whereas $\\alpha \\to 1$ corresponds to the Janus dumbbell limit, where the $h$ and $s$ spheres have equal sizes. Many phase diagrams falling into three classes are observed, depending on the value of $\\alpha$. The $1.8 \\le \\alpha \\le 2$ is dominated by a gas-liquid phase separation very similar to that of a pure square-well fluid with varied critical temperature and density. When $1.3 \\le \\alpha \\le 1.8$ we find a progressive destabilization of the gas-liquid phase diagram by the onset of self-assembled structures, that eventually lead to a metastability of the gas-liquid transition below $\\alpha=1.2$.

  1. Phase diagram of strongly correlated Fermi systems

    International Nuclear Information System (INIS)

    Zverev, M.V.; Khodel', V.A.; Baldo, M.

    2000-01-01

    Phase transitions in uniform Fermi systems with repulsive forces between the particles caused by restructuring of quasiparticle filling n(p) are analyzed. It is found that in terms of variables, i.e. density ρ, nondimensional binding constant η, phase diagram of a strongly correlated Fermi system for rather a wide class of interactions reminds of a puff-pastry pie. Its upper part is filled with fermion condensate, the lower one - with normal Fermi-liquid. They are separated by a narrow interlayer - the Lifshits phase, characterized by the Fermi multibound surface [ru

  2. Magnetic phase diagram of the Fe-Ni system

    Energy Technology Data Exchange (ETDEWEB)

    Xiong, W., E-mail: wxiong@yahoo.com [Division of Computational Thermodynamics, Department of Materials Science and Engineering, KTH (Royal Institute of Technology), Brinellvaegen 23, SE-100 44 Stockholm (Sweden); State Key Lab of Powder Metallurgy, Central South University, Changsha 410083 (China); Zhang, H.; Vitos, L. [Division of Applied Physics, Department of Materials Science and Engineering, KTH (Royal Institute of Technology), Brinellvaegen 23, SE-100 44 Stockholm (Sweden); Selleby, M. [Division of Computational Thermodynamics, Department of Materials Science and Engineering, KTH (Royal Institute of Technology), Brinellvaegen 23, SE-100 44 Stockholm (Sweden)

    2011-01-15

    Magnetic phase diagrams of body-centered cubic and face-centered cubic Fe-Ni alloys were constructed using available experimental data and ab initio calculations. The results show that significant improvements in the 'standard' diagrams (handbooks and CALPHAD databases) are required. The present work demonstrates that the CALPHAD magnetic model is not sophisticated enough to describe the Fe-Ni system. In addition, a new thermodynamic description of the lattice stability for pure Ni is urgently needed, since the recommended magnetic properties for CALPHAD modeling are distinct from the experimental and ab initio results. This work indicates that the construction of magnetic phase diagrams is indispensable during the phase transformation study of magnetic systems.

  3. Magnetic phase diagrams of UNiGe

    International Nuclear Information System (INIS)

    Nakotte, H.; Torikachvili, M.S.; Lacerda, A.H.

    1998-01-01

    UNiGe undergoes two magnetic transitions in zero field. Here, the magnetic diagrams of UNiGe for B parallel b and B parallel c are reported. We performed temperature scans of the magnetization in static magnetic fields up to 19.5 T applied along the b and c axes. For both orientations three magnetic phases have been identified in the B-T diagrams. We confirmed the previously reported phase boundaries for B parallel c, and in addition we determined the location of the phase boundaries for B parallel b. We discuss a possible relationship of the two zero-field antiferromagnetic phases (commensurate: T<42 K; incommensurate: 42 K< T<50 K) and the field-induced phase, which at low temperatures, occurs between 18 and 25 T or 4 and 10 T for B parallel b or B parallel c, respectively. Finally, we discuss the field dependence of the electronic contribution γ to the specific heat for B parallel c up to 17.5 T, and we find that its field dependence is similar to the one found in more itinerant uranium compounds. (orig.)

  4. Magnetic phase diagrams of UNiGe

    International Nuclear Information System (INIS)

    Nakotte, H.; Hagmusa, I.H.; Klaasse, J.C.P.; Hagmusa, I.H.; Klaasse, J.C.P.

    1997-01-01

    UNiGe undergoes two magnetic transitions in zero field. Here, the magnetic diagrams of UNiGe for B parallel b and B parallel c are reported. We performed temperatures scans of the magnetization in static magnetic fields up to 19.5T applied along the b and c axes. For both orientations 3 magnetic phases have been identified in the B-T diagrams. We confirmed the previously reported phase boundaries for B parallel c, and in addition we determined the location of the phase boundaries for B parallel b. We discuss a possible relationship of the two zero-field antiferromagnetic phases (commensurate: T<42K; incommensurate: 42K< T<50K) and the field-induced phase, which, at low temperatures, occurs between 18 and 25T or 4 and 10T for B parallel b or B parallel c, respectively. Finally, we discuss the field dependence of the electronic contribution γ to the specific heat for B parallel c up to 17.5T, and we find that its field dependence is similar to the one found in more itinerant uranium compounds

  5. Phase diagram for interacting Bose gases

    International Nuclear Information System (INIS)

    Morawetz, K.; Maennel, M.; Schreiber, M.

    2007-01-01

    We propose a modified form of the inversion method in terms of a self-energy expansion to access the phase diagram of the Bose-Einstein transition. The dependence of the critical temperature on the interaction parameter is calculated. This is discussed with the help of a condition for Bose-Einstein condensation in interacting systems which follows from the pole of the T matrix in the same way as from the divergence of the medium-dependent scattering length. A many-body approximation consisting of screened ladder diagrams is proposed, which describes the Monte Carlo data more appropriately. The specific results are that a non-self-consistent T matrix leads to a linear coefficient in leading order of 4.7, the screened ladder approximation to 2.3, and the self-consistent T matrix due to the effective mass to a coefficient of 1.3 close to the Monte Carlo data

  6. Calculation of Fe-B-V ternary phase diagram

    Czech Academy of Sciences Publication Activity Database

    Homolová, V.; Kroupa, Aleš; Výrostková, A.

    2012-01-01

    Roč. 520, APR (2012), s. 30-35 ISSN 0925-8388 R&D Projects: GA ČR(CZ) GAP108/10/1908 Institutional support: RVO:68081723 Keywords : phase diagram * thermodynamic modelling Subject RIV: BJ - Thermodynamics Impact factor: 2.390, year: 2012

  7. Influence of heavy hadronic states on the QCD phase diagram and on the freeze-out within a hadronic chiral model

    International Nuclear Information System (INIS)

    Zeeb, G.

    2006-01-01

    In this thesis the thermodynamical properties of strongly interacting hadronic matter and the microscopic in-medium properties of hadrons are investigated at high temperatures and high baryonic densities within a chiral flavor-SU(3) model. The applied model is a generalized σ-ω model in mean-field approximation with baryons and mesons as effective degrees of freedom. It is built on spontaneously broken chiral symmetry and scale invariance. The phase transition behavior is systematically analyzed and is thus shown to depend significantly on the couplings of additional heavier hadronic degrees of freedom. A phase diagram in qualitative agreement with current lattice QCD (lQCD) calculations can result from an according coupling of the lowest lying baryonic decuplet to the model. Alternatively, the coupling of a heavy baryonic test-resonance is investigated, which effectively represents the spectrum of the heavy hadronic states. For a certain range of parameters one can even obtain a phase diagram in quantitative agreement with the lQCD calculations and, simultaneously, a successful description of the ground state properties of nuclear matter. It is shown that (within the model assumptions) the phase transition region is experimentally accessible for the CBM experiment at the upcoming FAIR facility at GSI Darmstadt. The chiral model is further applied to particle yield ratios measured in heavy-ion collisions from AGS, SPS and RHIC. For these investigations parameter sets with strongly differing phase diagrams due to different couplings of the baryon decuplet are used and in addition an ideal hadron gas. At the lower and mid collision energies the chiral parameter sets show an improved description as compared to the ideal hadron gas, especially for parameter sets with phase diagrams similar to the lQCD predictions. The interaction within the chiral model leads to in-medium modifications of the chemical potentials and the hadron masses. Therefore the resulting freeze

  8. Phase Diagram of Spiking Neural Networks

    Directory of Open Access Journals (Sweden)

    Hamed eSeyed-Allaei

    2015-03-01

    Full Text Available In computer simulations of spiking neural networks, often it is assumed that every two neurons of the network are connected by a probablilty of 2%, 20% of neurons are inhibitory and 80% are excitatory. These common values are based on experiments, observations. but here, I take a different perspective, inspired by evolution. I simulate many networks, each with a different set of parameters, and then I try to figure out what makes the common values desirable by nature. Networks which are configured according to the common values, have the best dynamic range in response to an impulse and their dynamic range is more robust in respect to synaptic weights. In fact, evolution has favored networks of best dynamic range. I present a phase diagram that shows the dynamic ranges of different networks of different parameteres. This phase diagram gives an insight into the space of parameters -- excitatory to inhibitory ratio, sparseness of connections and synaptic weights. It may serve as a guideline to decide about the values of parameters in a simulation of spiking neural network.

  9. Magnetic phase diagrams of classical triangular and kagome antiferromagnets

    Energy Technology Data Exchange (ETDEWEB)

    Gvozdikova, M V [Department of Physics, Kharkov National University, 61077 Kharkov (Ukraine); Melchy, P-E; Zhitomirsky, M E, E-mail: mike.zhitomirsky@cea.fr [Service de Physique Statistique, Magnetisme et Supraconductivite, UMR-E9001 CEA-INAC/UJF, 17 rue des Martyrs, 38054 Grenoble (France)

    2011-04-27

    We investigate the effect of geometrical frustration on the H-T phase diagrams of the classical Heisenberg antiferromagnets on triangular and kagome lattices. The phase diagrams for the two models are obtained from large-scale Monte Carlo simulations. For the kagome antiferromagnet, thermal fluctuations are unable to lift degeneracy completely and stabilize translationally disordered multipolar phases. We find a substantial difference in the temperature scales of the order by disorder effect related to different degeneracy of the low- and the high-field classical ground states in the kagome antiferromagnet. In the low-field regime, the Kosterlitz-Thouless transition into a spin-nematic phase is produced by unbinding of half-quantum vortices.

  10. The phase diagram of KNO3-KClO3

    International Nuclear Information System (INIS)

    Zhang Xuejun; Tian Jun; Xu Kangcheng; Gao Yici

    2004-01-01

    The binary phase diagram of KNO 3 -KClO 3 is studied by means of differential scanning calorimetry (DSC) and high-temperature X-ray diffraction. The limited solid solutions, K(NO 3 ) 1-x (ClO 3 ) x (0 3 ) 1-x (ClO 3 ) x (0.90 3 -based solid solutions and KClO 3 -based solid solutions phase, respectively. For KNO 3 -based solid solutions, KNO 3 ferroelectric phase can be stable from 423 to 223 K as a result of substituting of NO 3 by ClO 3 -radicals. The temperatures for solidus and liquidus have been determined based on limited solid solutions. Two models, Henrian solution and regular solution theory for KNO 3 -based (α) phase and KClO 3 -based (β) phase, respectively, are employed to reproduce solidus and liquidus of the phase diagram. The results are in good agreement with the DSC data. The thermodynamic properties for α and β solid solutions have been derived from an optimization procedure using the experimental data. The calculated phase diagram and optimized thermodynamic parameters are thermodynamically self-consistent

  11. Modeling process flow using diagrams

    OpenAIRE

    Kemper, B.; de Mast, J.; Mandjes, M.

    2010-01-01

    In the practice of process improvement, tools such as the flowchart, the value-stream map (VSM), and a variety of ad hoc variants of such diagrams are commonly used. The purpose of this paper is to present a clear, precise, and consistent framework for the use of such flow diagrams in process improvement projects. The paper finds that traditional diagrams, such as the flowchart, the VSM, and OR-type of diagrams, have severe limitations, miss certain elements, or are based on implicit but cons...

  12. Retrieval phase diagrams of non-monotonic Hopfield networks

    Science.gov (United States)

    Inoue, Jun-ichi

    1996-08-01

    We investigate the retrieval phase diagrams of an asynchronous fully connected attractor network with non-monotonic transfer function by means of a mean-field approximation. We find for the noiseless zero-temperature case that this non-monotonic Hopfield network can store more patterns than a network with monotonic transfer function investigated by Amit et al. Properties of retrieval phase diagrams of non-monotonic networks agree with the results obtained by Nishimori and Opris who treated synchronous networks. We also investigate the optimal storage capacity of the non-monotonic Hopfield model with state-dependent synaptic couplings introduced by Zertuche et al. We show that the non-monotonic Hopfield model with state-dependent synapses stores more patterns than the conventional Hopfield model. Our formulation can be easily extended to a general transfer function.

  13. Mapping Isobaric Aging onto the Equilibrium Phase Diagram.

    Science.gov (United States)

    Niss, Kristine

    2017-09-15

    The linear volume relaxation and the nonlinear volume aging of a glass-forming liquid are measured, directly compared, and used to extract the out-of-equilibrium relaxation time. This opens a window to investigate how the relaxation time depends on temperature, structure, and volume in parts of phase space that are not accessed by the equilibrium liquid. It is found that the temperature dependence of relaxation time is non-Arrhenius even in the isostructural case-challenging the Adam-Gibbs entropy model. Based on the presented data and the idea that aging happens through quasiequilibrium states, we suggest a mapping of the out-of-equilibrium states during isobaric aging to the equilibrium phase diagram. This mapping implies the existence of isostructural lines in the equilibrium phase diagram. The relaxation time is found to depend on the bath temperature, density, and a just single structural parameter, referred to as an effective temperature.

  14. Dynamic phase transition and multicritical dynamic phase diagrams of the kinetic spin-3/2 Blume Emery Griffiths model with repulsive biquadratic coupling under a time-dependent oscillating external field

    Science.gov (United States)

    Deviren, Bayram; Keskin, Mustafa; Canko, Osman

    2008-03-01

    We extend our recent paper [O. Canko, B. Deviren, M. Keskin, J. Phys.: Condens. Mater 118 (2006) 6635] to present a study, within a mean-field approach, the stationary states of the kinetic spin-3/2 Blume-Emery-Griffiths model with repulsive biquadratic interaction under the presence of a time varying (sinusoidal) magnetic field. We found that the dynamic phase diagrams of the present work exhibit more complex, richer and more topological different types of phase diagrams than our recent paper. Especially, the obtained dynamic phase diagrams show the ferrimagnetic ( i) phase in addition to the ferromagnetic ±3/2 ( f), ferromagnetic ±1/2 ( f), antiquadrupolar or staggered ( a) and disordered ( d) phases, and the f+i, f+d, i+d, f+i+d, a+d and/or f+i+a coexistence regions in addition to the f+f, f+d, f+a, f+d and/or f+a+d coexistence regions, depending on interaction parameters. Moreover, the phase diagrams exhibit dynamic zero-temperature critical, critical end, double critical end, multicritical, and/or pentacritical special points in addition to the dynamic tricritical, double critical end point, triple, quadruple and/or tetracritical special points that depending on the interaction parameters.

  15. Modeling process flow using diagrams

    NARCIS (Netherlands)

    Kemper, B.; de Mast, J.; Mandjes, M.

    2010-01-01

    In the practice of process improvement, tools such as the flowchart, the value-stream map (VSM), and a variety of ad hoc variants of such diagrams are commonly used. The purpose of this paper is to present a clear, precise, and consistent framework for the use of such flow diagrams in process

  16. Thermodynamic data and modeling of the water and ammonia-water phase diagrams up to 2.2 GPa for planetary geophysics.

    Science.gov (United States)

    Choukroun, Mathieu; Grasset, Olivier

    2010-10-14

    We present new experimental data on the liquidus of ice polymorphs in the H(2)O-NH(3) system under pressure, and use all available data to develop a new thermodynamic model predicting the phase behavior in this system in the ranges (0-2.2 GPa; 175-360 K; 0-33 wt % NH(3)). Liquidus data have been obtained with a cryogenic optical sapphire-anvil cell coupled to a Raman spectrometer. We improve upon pre-existing thermodynamic formulations for the specific volumes and heat capacities of the solid and liquid phase in the pure H(2)O phase diagram to ensure applicability of the model in the low-temperature metastable domain down to 175 K. We compute the phase equilibria in the pure H(2)O system with this new model. Then we develop a pressure-temperature dependent activity model to describe the effect of ammonia on phase transitions. We show that aqueous ammonia solutions behave as regular solutions at low pressures, and as close-to-ideal solutions at pressure above 600 MPa. The computation of phase equilibria in the H(2)O-NH(3) system shows that ice III cannot exist at concentrations above 5-10 wt % NH(3) (depending on pressure), and ice V is not expected to form above 25%-27% NH(3). We eventually address the applications of this new model for thermal and evolution models of icy satellites.

  17. Dynamic phase transitions and dynamic phase diagrams in the kinetic spin-5/2 Blume–Capel model in an oscillating external magnetic field: Effective-field theory and the Glauber-type stochastic dynamics approach

    International Nuclear Information System (INIS)

    Ertaş, Mehmet; Keskin, Mustafa; Deviren, Bayram

    2012-01-01

    Using an effective field theory with correlations, we study a kinetic spin-5/2 Blume–Capel model with bilinear exchange interaction and single-ion crystal field on a square lattice. The effective-field dynamic equation is derived by employing the Glauber transition rates. First, the phases in the kinetic system are obtained by solving this dynamic equation. Then, the thermal behavior of the dynamic magnetization, the hysteresis loop area and correlation are investigated in order to characterize the nature of the dynamic transitions and to obtain dynamic phase transition temperatures. Finally, we present the phase diagrams in two planes, namely (T/zJ, h 0 /zJ) and (T/zJ, D/zJ), where T absolute temperature, h 0 , the amplitude of the oscillating field, D, crystal field interaction or single-ion anisotropy constant and z denotes the nearest-neighbor sites of the central site. The phase diagrams exhibit four fundamental phases and ten mixed phases which are composed of binary, ternary and tetrad combination of fundamental phases, depending on the crystal field interaction parameter. Moreover, the phase diagrams contain a dynamic tricritical point (T), a double critical end point (B), a multicritical point (A) and zero-temperature critical point (Z). - Highlights: ► The effective-field theory is used to study the kinetic spin-5/2 Ising Blume–Capel model. ► Time variations of average order parameter have been studied to find phases in the system. ► The dynamic magnetization, hysteresis loop area and correlation have been calculated. ► The dynamic phase boundaries of the system depend on D/zJ. ► The dynamic phase diagrams are presented in the (T/zJ, h 0 /zJ) and (D/zJ, T/zJ) planes.

  18. Dynamic phase transitions and dynamic phase diagrams in the kinetic spin-5/2 Blume-Capel model in an oscillating external magnetic field: Effective-field theory and the Glauber-type stochastic dynamics approach

    Energy Technology Data Exchange (ETDEWEB)

    Ertas, Mehmet [Department of Physics, Erciyes University, 38039 Kayseri (Turkey); Keskin, Mustafa, E-mail: keskin@erciyes.edu.tr [Department of Physics, Erciyes University, 38039 Kayseri (Turkey); Deviren, Bayram [Department of Physics, Nevsehir University, 50300 Nevsehir (Turkey)

    2012-04-15

    Using an effective field theory with correlations, we study a kinetic spin-5/2 Blume-Capel model with bilinear exchange interaction and single-ion crystal field on a square lattice. The effective-field dynamic equation is derived by employing the Glauber transition rates. First, the phases in the kinetic system are obtained by solving this dynamic equation. Then, the thermal behavior of the dynamic magnetization, the hysteresis loop area and correlation are investigated in order to characterize the nature of the dynamic transitions and to obtain dynamic phase transition temperatures. Finally, we present the phase diagrams in two planes, namely (T/zJ, h{sub 0}/zJ) and (T/zJ, D/zJ), where T absolute temperature, h{sub 0}, the amplitude of the oscillating field, D, crystal field interaction or single-ion anisotropy constant and z denotes the nearest-neighbor sites of the central site. The phase diagrams exhibit four fundamental phases and ten mixed phases which are composed of binary, ternary and tetrad combination of fundamental phases, depending on the crystal field interaction parameter. Moreover, the phase diagrams contain a dynamic tricritical point (T), a double critical end point (B), a multicritical point (A) and zero-temperature critical point (Z). - Highlights: Black-Right-Pointing-Pointer The effective-field theory is used to study the kinetic spin-5/2 Ising Blume-Capel model. Black-Right-Pointing-Pointer Time variations of average order parameter have been studied to find phases in the system. Black-Right-Pointing-Pointer The dynamic magnetization, hysteresis loop area and correlation have been calculated. Black-Right-Pointing-Pointer The dynamic phase boundaries of the system depend on D/zJ. Black-Right-Pointing-Pointer The dynamic phase diagrams are presented in the (T/zJ, h{sub 0}/zJ) and (D/zJ, T/zJ) planes.

  19. Phase diagrams and lipid domains in multicomponent lipid bilayer mixtures.

    Science.gov (United States)

    Feigenson, Gerald W

    2009-01-01

    Understanding the phase behavior of biological membranes is helped by the study of more simple systems. Model membranes that have as few as 3 components exhibit complex phase behavior that can be well described, providing insight for biological membranes. A number of different studies are in agreement on general findings for some compositional phase diagrams, in particular, those that model the outer leaflet of animal cell plasma membranes. These model mixtures include cholesterol, together with one high-melting lipid and one low-melting lipid. An interesting finding is of two categories of such 3-component mixtures, leading to what we term Type I and Type II compositional phase diagrams. The latter have phase regions of macroscopic coexisting domains of [Lalpha+Lbeta+Lo] and of [Lalpha+Lo], with domains resolved under the light microscope. Type I mixtures have the same phase coexistence regions, but the domains seem to be nanoscopic. Type I mixtures are likely to be better models for biological membranes.

  20. Building Path Diagrams for Multilevel Models

    Science.gov (United States)

    Curran, Patrick J.; Bauer, Daniel J.

    2007-01-01

    Multilevel models have come to play an increasingly important role in many areas of social science research. However, in contrast to other modeling strategies, there is currently no widely used approach for graphically diagramming multilevel models. Ideally, such diagrams would serve two functions: to provide a formal structure for deriving the…

  1. Phase diagrams of Pr-C system

    International Nuclear Information System (INIS)

    Eremenko, V.N.; Velikanova, T.Ya.; Gordijchuk, O.V.

    1988-01-01

    Results of the X-ray phase, metallographic and high-temperature differential thermal analysis are used for the first time to plot a diagram of the Pr-C system state. Carbides are formed in the system: Pr 2 C 3 with the bcc-structure of the Pu 2 C 3 type and with the period a 0 = 0.85722+-0.00026 within the phase region + 2 C 3 >, a 0 0.86078+-0.00016 nm - within the region 2 C 3 >+α-PrC 2 ; dimorphous PrC 2 : α-PrC 2 with the bct-structure of the CaC 2 type and periods a 0.38517+-0.00011, c 0 = 0.64337+-0.00019 nm; β-PrC 2 with the fcc-structure, probably, of KCN type. Dicarbide melts congruently at 2320 grad. C, forming eutectics with graphite at 2254+-6 grad. C and composition of 71.5% (at.)C. It is polymorphously transformed in the phase region 2 C 3 > + 2 > at 1145+-4 grad. C, and in the region 2 >+C at 1134+-4 grad. C. Sesquicarbide melts incongruently at 1545+-4 grad. C. The eutectic reaction L ↔ + 2 C 3 > occurs at 800+-4 grad. C, the eutectic composition ∼ 15% (at.)C. The temperature of the eutectoid reaction ↔ + 2 C 3 > is 675+-6 grad C. The limiting carbon solubility in β-Pr is about 8 and in α-Pr it is about 5% (at.)

  2. Confinement in Polyakov gauge and the QCD phase diagram

    Energy Technology Data Exchange (ETDEWEB)

    Marhauser, Marc Florian

    2009-10-14

    We investigate Quantum Chromodynamics (QCD) in the framework of the functional renormalisation group (fRG). Thereby describing the phase transition from the phase with confined quarks into the quark-gluon-plasma phase. We focus on a physical gauge in which the mechanism driving the phase transition is discernible. We find results compatible with lattice QCD data, as well as with functional methods applied in different gauges. The phase transition is of the expected order and we computed critical exponents. Extensions of the model are discussed. When investigating the QCD phase diagram, we compute the effects of dynamical quarks at finite density on the running of the gauge coupling. Additionally, we calculate how these affect the deconfinement phase transition, also, dynamical quarks allow for the inclusion of a finite chemical potential. Concluding the investigation of the phase diagram, we establish a relation between confinement and chiral symmetry breaking, which is tied to the dynamical generation of hadron masses. In the investigations, we often encounter scale dependent fields. We investigate a footing on which these can be dealt with in a uniform way. (orig.)

  3. Phase diagram of the triangular-lattice Potts antiferromagnet

    Science.gov (United States)

    Lykke Jacobsen, Jesper; Salas, Jesús; Scullard, Christian R.

    2017-08-01

    We study the phase diagram of the triangular-lattice Q-state Potts model in the real (Q, v) -plane, where v=e^J-1 is the temperature variable. Our first goal is to provide an obviously missing feature of this diagram: the position of the antiferromagnetic critical curve. This curve turns out to possess a bifurcation point with two branches emerging from it, entailing important consequences for the global phase diagram. We have obtained accurate numerical estimates for the position of this curve by combining the transfer-matrix approach for strip graphs with toroidal boundary conditions and the recent method of critical polynomials. The second goal of this work is to study the corresponding Ap-1 RSOS model on the torus, for integer p=4, 5, \\ldots, 8 . We clarify its relation to the corresponding Potts model, in particular concerning the role of boundary conditions. For certain values of p, we identify several new critical points and regimes for the RSOS model and we initiate the study of the flows between the corresponding field theories.

  4. Lattice investigations of the QCD phase diagram

    Energy Technology Data Exchange (ETDEWEB)

    Guenther, Jana

    2016-12-15

    To understand the physics in the early universe as well as in heavy ion collisions a throughout understanding of the theory of strong interaction, quantum chromodynamics (QCD), is important. Lattice QCD provides a tool to study it from first principles. However due to the sign problem direct simulations with physical conditions are at the moment limited to zero chemical potential. In this thesis I present a circumvention of this problem. We can gain information on the QCD phase diagram and the equation of state from analytical continuation of results extracted from simulations at imaginary chemical potential. The topological susceptibility is very expensive to compute in Lattice QCD. However it provides an important ingredient for the estimation of the axion mass. The axion is a possible candidate for a dark matter, which plays in important role in the understanding of our universe. In this thesis I discuss two techniques that make it possible to determine the topological susceptibility and allow for an estimation of the axion mass. I then use this mass restrain to analyze the idea of an experiment to detect axions with a dielectric mirror.

  5. Lattice investigations of the QCD phase diagram

    International Nuclear Information System (INIS)

    Guenther, Jana

    2016-01-01

    To understand the physics in the early universe as well as in heavy ion collisions a throughout understanding of the theory of strong interaction, quantum chromodynamics (QCD), is important. Lattice QCD provides a tool to study it from first principles. However due to the sign problem direct simulations with physical conditions are at the moment limited to zero chemical potential. In this thesis I present a circumvention of this problem. We can gain information on the QCD phase diagram and the equation of state from analytical continuation of results extracted from simulations at imaginary chemical potential. The topological susceptibility is very expensive to compute in Lattice QCD. However it provides an important ingredient for the estimation of the axion mass. The axion is a possible candidate for a dark matter, which plays in important role in the understanding of our universe. In this thesis I discuss two techniques that make it possible to determine the topological susceptibility and allow for an estimation of the axion mass. I then use this mass restrain to analyze the idea of an experiment to detect axions with a dielectric mirror.

  6. Interpretation of the T-H phase diagram of HTSC in the frame of superconductive granular layer model

    International Nuclear Information System (INIS)

    Burgij, A.I.; Shadura, V.N.

    1989-01-01

    The model of two-dimensional Coulomb gas on charge substrate is used to describe magnetic properties of high temperature superconductor LaBaCuO. The phase transition from the nonergodic superconducting state to the ergodic one is associated with the melting of Wigner's two-dimensional crystal into the liquid crystal-hexatic, and the phase transition from ergodic superconducting state to the normal one - with the melting of liquid crystal. The T c (H) dependence calculated within these concepts is consistent with that observed in experiment. 22 refs.; 3 figs

  7. Cuprate phase diagram and the influence of nanoscale inhomogeneities

    Energy Technology Data Exchange (ETDEWEB)

    Zaki, N.; Yang, H. -B.; Rameau, J. D.; Johnson, P. D.; Claus, H.; Hinks, D. G.

    2017-11-01

    The phase diagram associated with high-Tc superconductors is complicated by an array of different ground states. The parent material represents an antiferromagnetic insulator but with doping superconductivity becomes possible with transition temperatures previously thought unattainable. The underdoped region of the phase diagram is dominated by the so-called pseudogap phenomena, whereby in the normal state the system mimics superconductivity in its spectral response but does not show the complete loss of resistivity associated with the superconducting state. An understanding of this regime presents one of the great challenges for the field. In the present study we revisit the structure of the phase diagram as determined in photoemission studies. By careful analysis of the role of nanoscale inhomogeneities in the overdoped region, we are able to more carefully separate out the gaps due to the pseudogap phenomena from the gaps due to the superconducting transition. Within a mean-field description, we are thus able to link the magnitude of the doping-dependent pseudogap directly to the Heisenberg exchange interaction term, J Sigma s(i)s(j), contained in the t - J model. This approach provides a clear indication that the pseudogap is associated with spin singlet formation.

  8. Diagrams in the polaron model

    International Nuclear Information System (INIS)

    Smondyrev, M.A.

    1985-01-01

    The perturbation theory for the polaron energy is systematically treated on the diagrammatic basis. Feynman diagrams being constructed allow to calculate the polaron energy up to the third order in powers of the coupling constant. Similar calculations are performed for the average number of virtual phonons

  9. Finite-size effects on the chiral phase diagram of four-fermion models in four dimensions

    International Nuclear Information System (INIS)

    Abreu, L.M.; Malbouisson, A.P.C.; Malbouisson, J.M.C.; Santana, A.E.

    2009-01-01

    We study the size dependence of the dynamical symmetry breaking in the four-dimensional Nambu-Jona-Lasinio model. We show that the presence of boundaries reduces the chiral breaking region, and this effect is strengthened for a larger number of compactified dimensions. A critical value for the length of the compactified dimensions exists, below which the dynamical symmetry breaking is not possible. Considering finite temperature and chemical potential, the chiral phase structure for the system with compactified dimensions is obtained. A gradual decreasing of the chiral breaking region with increasing of chemical potential is found. Also, at fixed chemical potential, the decreasing of the size of the system changes the order of the chiral phase transition.

  10. Multicritical phase diagrams of the ferromagnetic spin-3/2 Blume-Emery-Griffiths model with repulsive biquadratic coupling including metastable phases: The cluster variation method and the path probability method with the point distribution

    Energy Technology Data Exchange (ETDEWEB)

    Keskin, Mustafa [Department of Physics, Erciyes University, 38039 Kayseri (Turkey)], E-mail: keskin@erciyes.edu.tr; Canko, Osman [Department of Physics, Erciyes University, 38039 Kayseri (Turkey)

    2008-01-15

    We study the thermal variations of the ferromagnetic spin-3/2 Blume-Emery-Griffiths (BEG) model with repulsive biquadratic coupling by using the lowest approximation of the cluster variation method (LACVM) in the absence and presence of the external magnetic field. We obtain metastable and unstable branches of the order parameters besides the stable branches and phase transitions of these branches are investigated extensively. The classification of the stable, metastable and unstable states is made by comparing the free energy values of these states. We also study the dynamics of the model by using the path probability method (PPM) with the point distribution in order to make sure that we find and define the metastable and unstable branches of the order parameters completely and correctly. We present the metastable phase diagrams in addition to the equilibrium phase diagrams in the (kT/J, K/J) and (kT/J, D/J) planes. It is found that the metastable phase diagrams always exist at the low temperatures, which are consistent with experimental and theoretical works.

  11. Multicritical phase diagrams of the ferromagnetic spin-3/2 Blume-Emery-Griffiths model with repulsive biquadratic coupling including metastable phases: The cluster variation method and the path probability method with the point distribution

    International Nuclear Information System (INIS)

    Keskin, Mustafa; Canko, Osman

    2008-01-01

    We study the thermal variations of the ferromagnetic spin-3/2 Blume-Emery-Griffiths (BEG) model with repulsive biquadratic coupling by using the lowest approximation of the cluster variation method (LACVM) in the absence and presence of the external magnetic field. We obtain metastable and unstable branches of the order parameters besides the stable branches and phase transitions of these branches are investigated extensively. The classification of the stable, metastable and unstable states is made by comparing the free energy values of these states. We also study the dynamics of the model by using the path probability method (PPM) with the point distribution in order to make sure that we find and define the metastable and unstable branches of the order parameters completely and correctly. We present the metastable phase diagrams in addition to the equilibrium phase diagrams in the (kT/J, K/J) and (kT/J, D/J) planes. It is found that the metastable phase diagrams always exist at the low temperatures, which are consistent with experimental and theoretical works

  12. Phase diagram of Nitrogen at high pressures and temperatures

    Science.gov (United States)

    Jenei, Zsolt; Lin, Jung-Fu; Yoo, Choong-Shik

    2007-03-01

    Nitrogen is a typical molecular solid with relatively weak van der Waals intermolecular interactions but strong intramolecular interaction arising from the second highest binding energy of all diatomic molecules. The phase diagram of solid nitrogen is, however, complicated at high pressures, as inter-molecular interaction becomes comparable to the intra-molecular interaction. In this paper, we present an updated phase diagram of the nitrogen in the pressure-temperature region of 100 GPa and 1000 K, based on in-situ Raman and synchrotron x-ray diffraction studies using externally heated membrane diamond anvil cells. While providing an extension of the phase diagram, our results indicate a ``steeper'' slope of the δ/ɛ phase boundary than previously determined^1. We also studied the stability of the ɛ phase at high pressures and temperatures. Our new experimental results improve the understanding of the Nitrogen phase diagram. 1. Gregoryanz et al, Phys. Rev. B 66, 224108 (2002)

  13. Magnetic phase diagram slightly below the saturation field in the stacked J1-J2 model in the square lattice with the JC interlayer coupling

    Science.gov (United States)

    Ueda, Hiroaki

    We study the effect of adding interlayer coupling to the square lattice, J1-J2 Heisenberg model in high external magnetic field. In particular, we consider a cubic lattice formed from stacked J1-J2 layers, with interlayer exchange coupling JC. For the 2-dimensional model (JC = 0) it has been shown that a spin-nematic phase appears close to the saturation magnetic field for the parameter range - 0 . 4 0 . We determine the phase diagram for 3-dimensional model at high magnetic field by representing spin flips out of the saturated state as bosons, considering the dilute boson limit and using the Bethe-Salpeter equation to determine the first instability of the saturated paramagnet. Close to the highly frustrated point J2 /J1 0 . 5 , we find that the spin-nematic state is stable even for | JC /J1 | 1 . For larger values of J2 /J1 , interlayer coupling favors a broad, phase-separated region. Further increase of | JC | stabilizes a collinear antiferromagnet, which is selected via the order-by-disorder mechanism.

  14. The phase diagram of crystalline surfaces

    International Nuclear Information System (INIS)

    Anagnostopoulos, K.N.; Bowick, M.J.; Catterall, S.M.

    1995-01-01

    We report the status of a high-statistics Monte Carlo simulation of non-self-avoiding crystalline surfaces with extrinsic curvature on lattices of size up to 128 2 nodes. We impose free boundary conditions. The free energy is a gaussian spring tethering potential together with a normal-normal bending energy. Particular emphasis is given to the behavior of the model in the cold phase where we measure the decay of the normal-normal correlation function

  15. Quarks and gluons in the phase diagram of quantum chromodynamics

    Energy Technology Data Exchange (ETDEWEB)

    Welzbacher, Christian Andreas

    2016-07-14

    that a dynamical charm quark has no influence on the phase structure. An open question about the phase diagram of quantum chromodynamics is the importance of hadronic degrees of freedom. These are subject to an exploratory study in Ch. 5, where we perform a two flavour calculation and include the nucleon as a degree of freedom in the well-known quark-diquark approximation. Due to the lack of explicit knowledge of in-medium properties of the nucleon, we refer to vacuum results and test their influence by variation. The results show that in this truncation baryons have only very little influence on the phase diagram. This is followed by an approach for a systematic investigation of the quark-gluon vertex Dyson-Schwinger equation at finite temperature. The presented work features an internal model vertex. Calculations taking an unquenched gluon as input are presented, where we compare the quark mass function to results from lattice calculations. We give details about the regularised condensate and study the impact of the different quark flavours and the dependence of the calculation on the chosen internal properties. In the last chapter we perform an investigation of the analytical properties of the quark. The Schwinger function, as the Fourier transform of the Euclidean quark propagator with respect to (imaginary) time, is studied in the vacuum as well as the medium. The spectral function, obtained from correlator data by solving an ill-defined inverse problem, is introduced together with the Rothkopf-Burnier Bayesian reconstruction algorithm, which returns the Bayesian answer to the given inverse problem. The status of the reconstruction for test data is presented and an outline given.

  16. Equations of State and Phase Diagrams of Ammonia

    Science.gov (United States)

    Glasser, Leslie

    2009-01-01

    We present equations of state relating the phases and a three-dimensional phase diagram for ammonia with its solid, liquid, and vapor phases, based on fitted authentic experimental data and including recent information on the high-pressure solid phases. This presentation follows similar articles on carbon dioxide and water published in this…

  17. Compilative Fe - Ni phase diagram with author's correction

    Science.gov (United States)

    Silman, G. I.

    2012-07-01

    Apart of a complex study of the effect of nickel on structure formation in iron-base alloys is presented. An accurate enough phase diagram for alloys of the Fe - Ni system is still lacking. Compilation of the data of some works and subsequent analysis of the known anomalies of structure and properties in alloys of the system are used by the author for correcting the phase diagram. The corrected diagram is used to explain the special features of Fe - Ni alloys, the well-known "invar" effect in particular.

  18. Essential Magnesium Alloys Binary Phase Diagrams and Their Thermochemical Data

    Directory of Open Access Journals (Sweden)

    Mohammad Mezbahul-Islam

    2014-01-01

    Full Text Available Magnesium-based alloys are becoming a major industrial material for structural applications because of their potential weight saving characteristics. All the commercial Mg alloys like AZ, AM, AE, EZ, ZK, and so forth series are multicomponent and hence it is important to understand the phase relations of the alloying elements with Mg. In this work, eleven essential Mg-based binary systems including Mg-Al/Zn/Mn/Ca/Sr/Y/Ni/Ce/Nd/Cu/Sn have been reviewed. Each of these systems has been discussed critically on the aspects of phase diagram and thermodynamic properties. All the available experimental data has been summarized and critically assessed to provide detailed understanding of the systems. The phase diagrams are calculated based on the most up-to-date optimized parameters. The thermodynamic model parameters for all the systems except Mg-Nd have been summarized in tables. The crystallographic information of the intermetallic compounds of different binary systems is provided. Also, the heat of formation of the intermetallic compounds obtained from experimental, first principle calculations and CALPHAD optimizations are provided. In addition, reoptimization of the Mg-Y system has been done in this work since new experimental data showed wider solubility of the intermetallic compounds.

  19. Three-dimensional quantum spin liquids in models of harmonic-honeycomb iridates and phase diagram in an infinite-D approximation

    Science.gov (United States)

    Kimchi, Itamar; Analytis, James G.; Vishwanath, Ashvin

    2014-11-01

    Motivated by the recent synthesis of two insulating Li2IrO3 polymorphs, where Ir4 + Seff=1 /2 moments form 3D ("harmonic") honeycomb structures with threefold coordination, we study magnetic Hamiltonians on the resulting β -Li2IrO3 hyperhoneycomb lattice and γ -Li2IrO3 stripyhoneycomb lattice. Experimentally measured magnetic susceptibilities suggest that Kitaev interactions, predicted for the ideal 90∘ Ir-O-Ir bonds, are sizable in these materials. We first consider pure Kitaev interactions, which lead to an exactly soluble 3D quantum spin liquid (QSL) with emergent Majorana fermions and Z2 flux loops. Unlike 2D QSLs, the 3D QSL is stable to finite temperature, with Tc≈|K | /100 . On including Heisenberg couplings, exact solubility is lost. However, by noting that the shortest closed loop ℓ is relatively large in these structures, we construct an ℓ →∞ approximation by defining the model on the Bethe lattice. The phase diagram of the Kitaev-Heisenberg model on this lattice is obtained directly in the thermodynamic limit, using tensor network states and the infinite-system time-evolving-block-decimation (iTEBD) algorithm. Both magnetically ordered and gapped QSL phases are found, the latter being identified by an entanglement fingerprint.

  20. MDM: A Mode Diagram Modeling Framework

    DEFF Research Database (Denmark)

    Wang, Zheng; Pu, Geguang; Li, Jianwen

    2012-01-01

    systems are widely used in the above-mentioned safety-critical embedded domains, there is lack of domain-specific formal modelling languages for such systems in the relevant industry. To address this problem, we propose a formal visual modeling framework called mode diagram as a concise and precise way...... to specify and analyze such systems. To capture the temporal properties of periodic control systems, we provide, along with mode diagram, a property specification language based on interval logic for the description of concrete temporal requirements the engineers are concerned with. The statistical model...... checking technique can then be used to verify the mode diagram models against desired properties. To demonstrate the viability of our approach, we have applied our modelling framework to some real life case studies from industry and helped detect two design defects for some spacecraft control systems....

  1. Phase diagram of Fe1-xCox ultrathin film

    International Nuclear Information System (INIS)

    Fridman, Yu.A.; Klevets, Ph.N.; Voytenko, A.P.

    2008-01-01

    Concentration-driven reorientation phase transitions in ultrathin magnetic films of FeCo alloy have been studied. It is established that, in addition to the easy-axis and easy-plane phases, a spatially inhomogeneous phase (domain structure), a canted phase, and also an 'in-plane easy-axis' phase can exist in the system. The realization of the last phase is associated with the competition between the single-ion anisotropy and the magnetoelastic interaction. The critical values of Co concentration corresponding to the phase transitions are evaluated, the types of phase transitions are determined, and the phase diagrams are constructed

  2. Phase diagram of (TMTSF)2PF6 revisited

    Science.gov (United States)

    Gor'kov, Lev; Grigoriev, Pavel; Krotkov, Pavel

    2005-03-01

    The antiferromagnetic spin-density wave (SDW) as function of pressure reveals an appearance of a quantum critical point embedded in a low-temperature superconducting (SC) phase. This diagram is commonly interpreted in terms of the tight- binding Q1D model with an antinesting term t'b(p) dependence on which simulates changes in electronic spectrum with pressure. The model predicts two SDW phases with different SDW vectors [1] and second-order transitions between SDW and metallic states. Recent experiments have shown that the transition is actually of the first order and, what is even more surprising, the phase adjacent to the metallic phase bears the character of a periodic domain structure (both above and inside the SC state) [2]. The revision of the problem has led us first to the conclusion that the claim of [1] concerning two SDW vectors is incorrect, and second, that the model itself has some flaws. Being slightly modified the model may lead to a more complicated behavior of SDW near the critical point. Physical mechanisms for the periodic domain formation are discussed. [1] Y.Hasegawa and H.Fukuyama, J. Phys. Soc. Jap. 55, 3978 (1986); [2] T.Vuletic et al., Eur. Phys. J. B 25, 319 (2002); I.J.Lee et al., Phys. Rev. Lett. 88, 207002 (2002)

  3. A study of the Al–Pt–Ir phase diagram

    Energy Technology Data Exchange (ETDEWEB)

    Grushko, B., E-mail: b.grushko@fz-juelich.de [MaTecK, 52428 Jülich (Germany); PGI-5, Forschungszentrum Jülich, 52425 Jülich (Germany); Samuha, S. [Dept. Materials Engineering, Ben-Gurion University of the Negev, 84105 Beer-Sheva (Israel); NRCN, P.O. Box 9001, 84190 Beer-Sheva (Israel); Meshi, L. [Dept. Materials Engineering, Ben-Gurion University of the Negev, 84105 Beer-Sheva (Israel)

    2015-10-15

    Phase equilibria in Al–Pt–Ir were studied up to 50 at.% Al at 1100 °C, up to 70 at.% Al at 900 °C and up to 75 at.% Al at 810 °C. At elevated temperatures the isostructural AlIr and high-temperature AlPt β-phases probably form a continuous compositional region. The ternary extensions of the phases Al{sub 4}Pt, Al{sub 21}Pt{sub 8}, Al{sub 3}Pt{sub 2} and low-temperature AlPt were revealed along approximately constant Al concentrations up to 15, 11, 20 and 10 at.% Ir, respectively. The Al–Ir C-phase dissolved up to 12 at.% Pt, and the χ-phase propagated up to almost Al{sub 3}Pt. A new ternary B-phase (I4{sub 1}/acd, a = 0.86250, c = 2.18409 nm) was revealed around Al{sub 69}Pt{sub 7}Ir{sub 24}. Its structural model was derived from the electron diffraction data. - Highlights: • The Al–Pt–Ir phase diagram was studied at 810, 900 and 1100 °C. • The majority of binaries extend widely along about constant Al. • The new ternary B-phase of the Ga{sub 4}Ir{sub 8}B type was revealed at Al{sub 69}Pt{sub 7}Ir{sub 24}. • The structural model of the B-phase was derived from electron diffraction.

  4. Phase diagrams for geoscientists an atlas of the Earth's interior

    CERN Document Server

    Gasparik, Tibor

    2014-01-01

    Presented in this new, full-color edition, with the first polychrome phase diagrams to be published, this geoscientific atlas is backed by the author's unrivalled dataset, and amounts to the most complete survey yet of phase relations in Earth's chemistry.

  5. Phase diagram and tricritical behavior of an metamagnet in uniform and random fields

    International Nuclear Information System (INIS)

    Liang Yaqiu; Wei Guozhu; Xu Xiaojuan; Song Guoli

    2010-01-01

    A two-sublattice Ising metamagnet in both uniform and random fields is studied within the mean-field approach based on Bogoliubov's inequality for the Gibbs free energy. We show that the qualitative features of the phase diagrams are dependent on the parameters of the model and the uniform field values. The tricritical point and reentrant phenomenon can be observed on the phase diagram. The reentrance is due to the competition between uniform and random interactions.

  6. Unified Phase Diagram for Iron-Based Superconductors

    Science.gov (United States)

    Gu, Yanhong; Liu, Zhaoyu; Xie, Tao; Zhang, Wenliang; Gong, Dongliang; Hu, Ding; Ma, Xiaoyan; Li, Chunhong; Zhao, Lingxiao; Lin, Lifang; Xu, Zhuang; Tan, Guotai; Chen, Genfu; Meng, Zi Yang; Yang, Yi-feng; Luo, Huiqian; Li, Shiliang

    2017-10-01

    High-temperature superconductivity is closely adjacent to a long-range antiferromagnet, which is called a parent compound. In cuprates, all parent compounds are alike and carrier doping leads to superconductivity, so a unified phase diagram can be drawn. However, the properties of parent compounds for iron-based superconductors show significant diversity and both carrier and isovalent dopings can cause superconductivity, which casts doubt on the idea that there exists a unified phase diagram for them. Here we show that the ordered moments in a variety of iron pnictides are inversely proportional to the effective Curie constants of their nematic susceptibility. This unexpected scaling behavior suggests that the magnetic ground states of iron pnictides can be achieved by tuning the strength of nematic fluctuations. Therefore, a unified phase diagram can be established where superconductivity emerges from a hypothetical parent compound with a large ordered moment but weak nematic fluctuations, which suggests that iron-based superconductors are strongly correlated electron systems.

  7. Re-determination of succinonitrile (SCN) camphor phase diagram

    Science.gov (United States)

    Teng, Jing; Liu, Shan

    2006-04-01

    Low-melting temperature transparent organic materials have been extensively used to study the pattern formation and microstructure evolution. It proves to be very challenging to accurately determine the phase diagram since there is no viable way to measure the composition microscopically. In this paper, we presented the detailed experimental characterization of the phase diagram of succinonitrile (SCN)-camphor binary system. Differential scanning calorimetry, a ring-heater, and the directional solidification technique have been combined to determine the details of the phase diagram by using the purified materials. The advantages and disadvantages have been discussed for the different experimental techniques. SCN and camphor constitute a simple binary eutectic system with the eutectic composition at 23.6 wt% camphor and eutectic temperature at 37.65 °C. The solidus and the solubility of the SCN base solid solution have been precisely determined for the first time in this binary system.

  8. Molybdenum-titanium phase diagram evaluated from ab initio calculations

    Science.gov (United States)

    Barzilai, Shmuel; Toher, Cormac; Curtarolo, Stefano; Levy, Ohad

    2017-07-01

    The design of next generation β -type titanium implants requires detailed knowledge of the relevant stable and metastable phases at temperatures where metallurgical heat treatments can be performed. Recently, a standard specification for surgical implant applications was established for Mo-Ti alloys. However, the thermodynamic properties of this binary system are not well known and two conflicting descriptions of the β -phase stability have been presented in the literature. In this study, we use ab initio calculations to investigate the Mo-Ti phase diagram. These calculations predict that the β phase is stable over a wide concentration range, in qualitative agreement with one of the reported phase diagrams. In addition, they predict stoichiometric compounds, stable at temperatures below 300 ∘C , which have not yet been detected by experiments. The resulting solvus, which defines the transition to the β -phase solid solution, therefore occurs at lower temperatures and is more complex than previously anticipated.

  9. Phase diagram of the ternary Zr-Ti-Sn system

    International Nuclear Information System (INIS)

    Arias, D.; Gonzalez Camus, M.

    1987-01-01

    It is well known that Ti stabilizes the high temperature cubic phase of Zr and that Sn stabilizes the low temperature hexagonal phase of Zr. The effect of Sn on the Zr-Ti diagram has been studied in the present paper. Using high purity metals, nine different alloys have been prepared, with 4-32 at % Ti, 0.7-2.2 at % Sn and Zr till 100%. Resistivity and optical and SEM metallography techniques have been employed. Effect of some impurities have been analyzed. The results are discussed and different isothermic sections of the ternary Zr-Ti-Sn diagram are presented. (Author) [es

  10. Pseudo-binary phase diagram for Zr-based in situ ß phase composites

    OpenAIRE

    Lee, S. Y.; Kim, C. P.; Almer, J. D.; Lienert, U.; Ustundag, E.; Johnson, W. L.

    2007-01-01

    The pseudo-binary (quasi-equilibrium) phase diagram for Zr-based bulk metallic glasses with crystalline in situ precipitates (ß phase) has been constructed from high-temperature phase information and chemical composition analysis. The phase evolution was detected in situ by high-energy synchrotron x-ray diffraction followed by Rietveld analysis of the data for volume fraction estimation. The phase diagram delineates phase fields and allows the control of phase fractions. Combined with related...

  11. Phase diagram of compressively strained nickelate thin films

    Energy Technology Data Exchange (ETDEWEB)

    Disa, Ankit S [Yale University; Kumah, D. [Yale University; Ngai, J H [Yale University; Specht, Eliot D [ORNL; Arena, D.A. [Brookhaven National Laboratory (BNL); Walker, Frederick J. [Yale University; Ahn, Charles H. [Yale University

    2013-01-01

    The complex phase diagrams of strongly correlated oxides arise from the coupling between physical and electronic structure. This can lead to a renormalization of the phase boundaries when considering thin films rather than bulk crystals due to reduced dimensionality and epitaxial strain. The well-established bulk RNiO3 phase diagram shows a systematic dependence between the metal-insulator transition and the perovskite A-site rare-earth ion, R. Here, we explore the equivalent phase diagram for nickelate thin films under compressive epitaxial strain. We determine the metalinsulator phase diagram for the solid solution of Nd1-yLayNiO3 thin films within the range 0 y 1. We find qualitative similarity between the films and their bulk analogs, but with an overall renormalization in the metal-insulator transition to lower temperature. A combination of x-ray diffraction measurements and soft x-ray absorption spectroscopy indicates that the renormalization is due to increased Ni O bond hybridization for coherently strained thin films.

  12. The QCD phase diagram from analytic continuation

    Directory of Open Access Journals (Sweden)

    R. Bellwied

    2015-12-01

    Full Text Available We present the crossover line between the quark gluon plasma and the hadron gas phases for small real chemical potentials. First we determine the effect of imaginary values of the chemical potential on the transition temperature using lattice QCD simulations. Then we use various formulas to perform an analytic continuation to real values of the baryo-chemical potential. Our data set maintains strangeness neutrality to match the conditions of heavy ion physics. The systematic errors are under control up to μB≈300 MeV. For the curvature of the transition line we find that there is an approximate agreement between values from three different observables: the chiral susceptibility, chiral condensate and strange quark susceptibility. The continuum extrapolation is based on Nt=10, 12 and 16 lattices. By combining the analysis for these three observables we find, for the curvature, the value κ=0.0149±0.0021.

  13. Phase diagrams of exceptional and supersymmetric lattice gauge theories

    Energy Technology Data Exchange (ETDEWEB)

    Wellegehausen, Bjoern-Hendrik

    2012-07-10

    In this work different strongly-coupled gauge theories with and without fundamental matter have been studied on the lattice with an emphasis on the confinement problem and the QCD phase diagram at nonvanishing net baryon density as well as on possible supersymmetric extensions of the standard model of particle physics. In gauge theories with a non-trivial centre symmetry, as for instance SU(3)-Yang-Mills theory, confinement is intimately related to the centre of the gauge group, and the Polyakov loop serves as an order parameter for confinement. In QCD, this centre symmetry is explicitly broken by quarks in the fundamental representation of the gauge group. But still quarks and gluons are confined in mesons, baryons and glueballs at low temperatures and small densities, suggesting that centre symmetry is not responsible for the phenomenon of confinement. Therefore it is interesting to study pure gauge theories without centre symmetry. In this work this has been done by replacing the gauge group SU(3) of the strong interaction with the exceptional Lie group G{sub 2}, that has a trivial centre. To investigate G{sub 2} gauge theory on the lattice, a new and highly efficient update algorithm has been developed, based on a local HMC algorithm. Employing this algorithm, the proposed and already investigated first order phase transition from a confined to a deconfined phase has been confirmed, showing that indeed a first order phase transition without symmetry breaking or an order parameter is possible. In this context, also the deconfinement phase transition of the exceptional Lie groups F4 and E6 in three spacetime dimensions has been studied. It has been shown that both theories also possess a first order phase transition.

  14. Phase diagrams of exceptional and supersymmetric lattice gauge theories

    International Nuclear Information System (INIS)

    Wellegehausen, Bjoern-Hendrik

    2012-01-01

    In this work different strongly-coupled gauge theories with and without fundamental matter have been studied on the lattice with an emphasis on the confinement problem and the QCD phase diagram at nonvanishing net baryon density as well as on possible supersymmetric extensions of the standard model of particle physics. In gauge theories with a non-trivial centre symmetry, as for instance SU(3)-Yang-Mills theory, confinement is intimately related to the centre of the gauge group, and the Polyakov loop serves as an order parameter for confinement. In QCD, this centre symmetry is explicitly broken by quarks in the fundamental representation of the gauge group. But still quarks and gluons are confined in mesons, baryons and glueballs at low temperatures and small densities, suggesting that centre symmetry is not responsible for the phenomenon of confinement. Therefore it is interesting to study pure gauge theories without centre symmetry. In this work this has been done by replacing the gauge group SU(3) of the strong interaction with the exceptional Lie group G 2 , that has a trivial centre. To investigate G 2 gauge theory on the lattice, a new and highly efficient update algorithm has been developed, based on a local HMC algorithm. Employing this algorithm, the proposed and already investigated first order phase transition from a confined to a deconfined phase has been confirmed, showing that indeed a first order phase transition without symmetry breaking or an order parameter is possible. In this context, also the deconfinement phase transition of the exceptional Lie groups F4 and E6 in three spacetime dimensions has been studied. It has been shown that both theories also possess a first order phase transition.

  15. Phase diagram for ortho-para-hydrogen monolayers

    CERN Document Server

    Sullivan, N S

    2003-01-01

    The phase diagram for orientational ordering of hydrogen monolayers on graphite and boron nitride is revised in view of current theory and experimental observations from nuclear magnetic resonance (NMR) studies recently reported for ortho-H sub 2 concentrations 0.35 <= c <= 0.92 and temperatures 0.14 <= T <= 1.80 K. The characteristic interaction coupling GAMMA sub 0 = 0.50 +- 0.03 K and the crystalline field amplitude V sub 0 = 0.70 +- 0.10 K are derived from experimental data, and distinct types of the local orientationally ordered structures are analysed using a proposed model for site-diluted uniaxial quadrupoles on a triangular plane lattice of hexagonal symmetry. The long-range periodic pinwheel structure and the short-range quadrupolar glass (QG) phase are stable above the 2D site-percolation limit, c sub p = 0.72, and for 0.48 < c < c sub p , respectively, where quadrupolar-order effects dominate. At very low T, the QG phase shows instability with respect to local dipole-like polariz...

  16. A proposed phase equilibrium diagram for Pt-Zr system

    International Nuclear Information System (INIS)

    Arias, D.E.; Gribaudo, L.

    1993-01-01

    A revision of the phase diagram of the Pt-Zr system is presented using up to date information from recent publications. The proposed change concerning the invariant transformation in the Pt-rich zone is supported by simplified thermodynamic evaluations. (author). 12 refs., 1 fig

  17. Phase diagram for droplet impact on superheated surfaces

    NARCIS (Netherlands)

    Staat, Erik-Jan; Tran, Tuan; Geerdink, B.M.; Riboux, G.; Sun, Chao; Gordillo, J.M.; Lohse, Detlef

    2015-01-01

    We experimentally determine the phase diagram for impacting ethanol droplets on a smooth, sapphire surface in the parameter space of Weber number We versus surface temperature T. We observe two transitions, namely the one towards splashing (disintegration of the droplet) with increasing We, and the

  18. Phase Stability Diagrams for High Temperature Corrosion Processes

    Directory of Open Access Journals (Sweden)

    J. J. Ramos-Hernandez

    2013-01-01

    Full Text Available Corrosion phenomena of metals by fused salts depend on chemical composition of the melt and environmental conditions of the system. Detail knowledge of chemistry and thermodynamic of aggressive species formed during the corrosion process is essential for a better understanding of materials degradation exposed to high temperature. When there is a lack of kinetic data for the corrosion processes, an alternative to understand the thermodynamic behavior of chemical species is to utilize phase stability diagrams. Nowadays, there are several specialized software programs to calculate phase stability diagrams. These programs are based on thermodynamics of chemical reactions. Using a thermodynamic data base allows the calculation of different types of phase diagrams. However, sometimes it is difficult to have access to such data bases. In this work, an alternative way to calculate phase stability diagrams is presented. The work is exemplified in the Na-V-S-O and Al-Na-V-S-O systems. This system was chosen because vanadium salts is one of the more aggressive system for all engineering alloys, especially in those processes where fossil fuels are used.

  19. Investigating the QCD phase diagram with hadron multiplicities at NICA

    Energy Technology Data Exchange (ETDEWEB)

    Becattini, F. [Universita di Firenze (Italy); INFN, Firenze (Italy); Stock, R. [Goethe University, Frankfurt am Main (Germany)

    2016-08-15

    We discuss the potential of the experimental programme at NICA to investigate the QCD phase diagram and particularly the position of the critical line at large baryon-chemical potential with accurate measurements of particle multiplicities. We briefly review the present status and we outline the tasks to be accomplished both theoretically and the experimentally to make hadronic abundances a sensitive probe. (orig.)

  20. Magnetic phase diagrams from non-collinear canonical band theory

    DEFF Research Database (Denmark)

    Shallcross, Sam; Nordstrom, L.; Sharma, S.

    2007-01-01

    to construct phase diagrams of magnetic order for the fcc and bcc lattices. Several examples of non-collinear magnetism are seen to be canonical in origin, in particular, that of gamma-Fe. In this approach, the determination of magnetic stability results solely from changes in kinetic energy due to spin...

  1. "Phase diagram" of a mean field game

    Science.gov (United States)

    Swiecicki, Igor; Gobron, Thierry; Ullmo, Denis

    2016-01-01

    Mean field games were introduced by J-M. Lasry and P-L. Lions in the mathematical community, and independently by M. Huang and co-workers in the engineering community, to deal with optimization problems when the number of agents becomes very large. In this article we study in detail a particular example called the "seminar problem" introduced by O. Guéant, J-M. Lasry, and P-L. Lions in 2010. This model contains the main ingredients of any mean field game but has the particular feature that all agents are coupled only through a simple random event (the seminar starting time) that they all contribute to form. In the mean field limit, this event becomes deterministic and its value can be fixed through a self consistent procedure. This allows for a rather thorough understanding of the solutions of the problem, through both exact results and a detailed analysis of various limiting regimes. For a sensible class of initial configurations, distinct behaviors can be associated to different domains in the parameter space. For this reason, the "seminar problem" appears to be an interesting toy model on which both intuition and technical approaches can be tested as a preliminary study toward more complex mean field game models.

  2. Phase Diagrams of Electrostatically Self-Assembled Amphiplexes

    Energy Technology Data Exchange (ETDEWEB)

    V Stanic; M Mancuso; W Wong; E DiMasi; H Strey

    2011-12-31

    We present the phase diagrams of electrostatically self-assembled amphiplexes (ESA) comprised of poly(acrylic acid) (PAA), cetyltrimethylammonium chloride (CTACl), dodecane, pentanol, and water at three different NaCl salt concentrations: 100, 300, and 500 mM. This is the first report of phase diagrams for these quinary complexes. Adding a cosurfactant, we were able to swell the unit cell size of all long-range ordered phases (lamellar, hexagonal, Pm3n, Ia3d) by almost a factor of 2. The added advantage of tuning the unit cell size makes such complexes (especially the bicontinuous phases) attractive for applications in bioseparation, drug delivery, and possibly in oil recovery.

  3. "Phase diagrams of Lecithin-based microemulsions containing Sodium Salicylate "

    Directory of Open Access Journals (Sweden)

    "Aboofazeli R

    2000-08-01

    Full Text Available Partial phase diagrams were constructed at 25°C to investigate the phase behaviour of systems composed of soybean lecithin, water, sodium salicylate, alcohol and isopropyl myristate. The lecithins used were the commercially available soy bean lecithins, namely E200 and E170 (phosphatidyl choline purities greater than 95% and 68-72% respectively. The cosurfactants employed were n-propanol, 2-propanol and n-butanol and these were used at lecithin/alcohol weight ratios (Km of 1:1 and 1.5:1. At a given Km, the aqueous phase consisted of a 2% w/w sodium salicylate solution. Phase diagrams showed the area of existence of a stable isotropic region along the surfactant/oil axis (i.e., reverse microemulsion area. The extension of the microemulsion domain was influenced by the purity of surfactant, the lecithin/alcohol weight ratios and the kind of the alcohol.

  4. MDM: A Mode Diagram Modeling Framework

    Directory of Open Access Journals (Sweden)

    Zheng Wang

    2012-12-01

    Full Text Available Periodic control systems used in spacecrafts and automotives are usually period-driven and can be decomposed into different modes with each mode representing a system state observed from outside. Such systems may also involve intensive computing in their modes. Despite the fact that such control systems are widely used in the above-mentioned safety-critical embedded domains, there is lack of domain-specific formal modelling languages for such systems in the relevant industry. To address this problem, we propose a formal visual modeling framework called mode diagram as a concise and precise way to specify and analyze such systems. To capture the temporal properties of periodic control systems, we provide, along with mode diagram, a property specification language based on interval logic for the description of concrete temporal requirements the engineers are concerned with. The statistical model checking technique can then be used to verify the mode diagram models against desired properties. To demonstrate the viability of our approach, we have applied our modelling framework to some real life case studies from industry and helped detect two design defects for some spacecraft control systems.

  5. Metastable and equilibrium phase diagrams of unconjugated bilirubin IXα as functions of pH in model bile systems: Implications for pigment gallstone formation.

    Science.gov (United States)

    Berman, Marvin D; Carey, Martin C

    2015-01-01

    Metastable and equilibrium phase diagrams for unconjugated bilirubin IXα (UCB) in bile are yet to be determined for understanding the physical chemistry of pigment gallstone formation. Also, UCB is a molecule of considerable biomedical importance because it is a potent antioxidant and an inhibitor of atherogenesis. We employed principally a titrimetric approach to obtain metastable and equilibrium UCB solubilities in model bile systems composed of taurine-conjugated bile salts, egg yolk lecithin (mixed long-chain phosphatidylcholines), and cholesterol as functions of total lipid concentration, biliary pH values, and CaCl2 plus NaCl concentrations. Metastable and equilibrium precipitation pH values were obtained, and average pKa values of the two carboxyl groups of UCB were calculated. Added lecithin and increased temperature decreased UCB solubility markedly, whereas increases in bile salt concentrations and molar levels of urea augmented solubility. A wide range of NaCl and cholesterol concentrations resulted in no specific effects, whereas added CaCl2 produced large decreases in UCB solubilities at alkaline pH values only. UV-visible absorption spectra were consistent with both hydrophobic and hydrophilic interactions between UCB and bile salts that were strongly influenced by pH. Reliable literature values for UCB compositions of native gallbladder biles revealed that biles from hemolytic mice and humans with black pigment gallstones are markedly supersaturated with UCB and exhibit more acidic pH values, whereas biles from nonstone control animals and patients with cholesterol gallstone are unsaturated with UCB. Copyright © 2015 the American Physiological Society.

  6. Evaluation of self-interaction parameters from binary phase diagrams

    International Nuclear Information System (INIS)

    Ellison, T.L.

    1977-10-01

    The feasibility of calculating Wagner self-interaction parameters from binary phase diagrams was examined. The self-interaction parameters of 22 non-ferrous liquid solutions were calculated utilizing an equation based on the equality of the chemical potentials of a component in two equilibrium phases. Utilization of the equation requires the evaluation of the first and second derivatives of various liquidus and solidus data at infinite dilution of the solute component. Several numerical methods for evaluating the derivatives of tabular data were examined. A method involving power series curve fitting and subsequent differentiation of the power series was found to be the most suitable for the interaction parameter calculations. Comparison of the calculated self-interaction parameters with values obtained from thermodynamic measurements indicates that the Wagner self-interaction parameter can be successfully calculated from binary phase diagrams

  7. Determination of the quaternary phase diagram of the water-ethylene glycol-sucrose-NaCl system and a comparison between two theoretical methods for synthetic phase diagrams.

    Science.gov (United States)

    Han, Xu; Liu, Yang; Critser, John K

    2010-08-01

    Characterization of the thermodynamic properties of multi-solute aqueous solutions is of critical importance for biological and biochemical research. For example, the phase diagrams of aqueous systems, containing salts, saccharides, and plasma membrane permeating solutes, are indispensible in the field of cryobiology and pharmacology. However, only a few ternary phase diagrams are currently available for these systems. In this study, an auto-sampler differential scanning calorimeter (DSC) was used to determine the quaternary phase diagram of the water-ethylene glycol-sucrose-NaCl system. To improve the accuracy of melting point measurement, a "mass-redemption" method was also applied for the DSC technique. Base on the analyses of these experimental data, a comparison was made between the two practical approaches to generate phase diagrams of multi-solute solutions from those of single-solute solutions: the summation of cubic polynomial melting point equations versus the use of osmotic virial equations with cross coefficients. The calculated values of the model standard deviations suggested that both methods are satisfactory for characterizing this quaternary system. (c) 2010 Elsevier Inc. All rights reserved.

  8. Studies on the QCD Phase Diagram at SPS and FAIR

    International Nuclear Information System (INIS)

    Blume, Christoph

    2013-01-01

    A review of results of the energy scan program at the CERN-SPS by the NA49 experiment is given. Presented are observables related to the search for a critical point in the QCD phase diagram and for the onset of deconfinement. Furthermore, the ongoing experimental program of NA61 at the CRRN-SPS and the plans of the CBM experiment at FAIR are discussed.

  9. Highly Accurate Calculations of the Phase Diagram of Cold Lithium

    Science.gov (United States)

    Shulenburger, Luke; Baczewski, Andrew

    The phase diagram of lithium is particularly complicated, exhibiting many different solid phases under the modest application of pressure. Experimental efforts to identify these phases using diamond anvil cells have been complemented by ab initio theory, primarily using density functional theory (DFT). Due to the multiplicity of crystal structures whose enthalpy is nearly degenerate and the uncertainty introduced by density functional approximations, we apply the highly accurate many-body diffusion Monte Carlo (DMC) method to the study of the solid phases at low temperature. These calculations span many different phases, including several with low symmetry, demonstrating the viability of DMC as a method for calculating phase diagrams for complex solids. Our results can be used as a benchmark to test the accuracy of various density functionals. This can strengthen confidence in DFT based predictions of more complex phenomena such as the anomalous melting behavior predicted for lithium at high pressures. Sandia National Laboratories is a multi-program laboratory managed and operated by Sandia Corporation, a wholly owned subsidiary of Lockheed Martin Corporation, for the U.S. DOE's National Nuclear Security Administration under contract DE-AC04-94AL85000.

  10. Groundstate fidelity phase diagram of the fully anisotropic two-leg spin-½ XXZ ladder

    Science.gov (United States)

    Li, Sheng-Hao; Shi, Qian-Qian; Batchelor, Murray T.; Zhou, Huan-Qiang

    2017-11-01

    The fully anisotropic two-leg spin-\\tfrac{1}{2} XXZ ladder model is studied in terms of an algorithm based on the tensor network (TN) representation of quantum many-body states as an adaptation of projected entangled pair states to the geometry of translationally invariant infinite-size quantum spin ladders. The TN algorithm provides an effective method to generate the groundstate wave function, which allows computation of the groundstate fidelity per lattice site, a universal marker to detect phase transitions in quantum many-body systems. The groundstate fidelity is used in conjunction with local order and string order parameters to systematically map out the groundstate phase diagram of the ladder model. The phase diagram exhibits a rich diversity of quantum phases. These are the ferromagnetic, stripe ferromagnetic, rung singlet, rung triplet, Néel, stripe Néel and Haldane phases, along with the two XY phases XY1 and XY2.

  11. Establishment of phase diagram of a chiral smectic liquid crystal

    Science.gov (United States)

    Soltani, T.; Gharbi, A.; Gineste, S.; Marcerou, J. P.; Bitri, N.

    2011-10-01

    Chiral smectic liquid crystals are well known to exhibit the following sequence of phases as the temperature is increased: Sm- CA*, Sm- CFi1*, Sm- CFi2*, Sm- C* and Sm- Cα*. Surprisingly, some compounds appear in several publications to present other tilted phases, which not only do not belong to the previous series but change from one paper to the other although the studied compound is the same. Such is the chiral smectic liquid crystal ( R) or ( S)-12OF1M7 that we have re-synthesized and studied with various techniques: dielectric spectroscopy, optical rotatory power, conoscopic measurements and electro-optic properties. Our conclusion is that this compound presents the ordinary phase sequence at the exception of the Sm- Cα* phase. In addition, the ( E- T) phase diagram of this compound was established.

  12. Pitfalls and feedback when constructing topological pressure-temperature phase diagrams

    Science.gov (United States)

    Ceolin, R.; Toscani, S.; Rietveld, Ivo B.; Barrio, M.; Tamarit, J. Ll.

    2017-04-01

    The stability hierarchy between different phases of a chemical compound can be accurately reproduced in a topological phase diagram. This type of phase diagrams may appear to be the result of simple extrapolations, however, experimental complications quickly increase in the case of crystalline trimorphism (and higher order polymorphism). To ensure the accurate positioning of stable phase domains, a topological phase diagram needs to be consistent. This paper gives an example of how thermodynamic feedback can be used in the topological construction of phase diagrams to ensure overall consistency in a phase diagram based on the case of piracetam crystalline trimorphism.

  13. Phase diagrams of disordered 3D topological insulators and superconductors

    Science.gov (United States)

    Ohtsuki, Tomi; Kobayashi, Koji; Imura, Ken-Ichiro; Nomura, Ken

    2015-03-01

    A global phase diagram of disordered weak and strong topological insulators belonging to the class AII is obtained by numerically calculating the conductance, the Lyapunov exponents and the density of states. The location of the phase boundaries, i.e., the mass parameter, is renormalized by disorder, a feature recognized in the study of topological Anderson insulator. We report quantized conductance on the phase boundaries between topologically distinct phases, which is interpreted as the robustness of conductance against disorder. This robustness is also confirmed by the large-scale numerical calculation of the density of states, which remains parabolic up to certain strength of disorder with renormalized Dirac electron velocity. From the size dependence of the conductance, we also point out that the surface states of weak topological insulator are either robust or ''defeated''. The nature of the two distinct types of behavior is further revealed by studying the Lyapunov exponents. (K. Kobayashi et al., Phys. Rev. Lett. vol. 110, 236803 (2013)). We also obtain the phase diagram of disordered topological superconductors belonging to the class DIII. Similar renormalization of mass and velocity due to disorder is found. Grants-in-Aid No. 23540376, Grants-in-Aid No. 24000013.

  14. Phase diagram of the CF₄ monolayer and bilayer on graphite.

    Science.gov (United States)

    Thomas, Petros; Hess, George B

    2014-05-21

    We report an experimental study of physisorbed monolayers and bilayers of CF4 on graphite using infrared reflection absorption spectroscopy supplemented by ellipsometry. The symmetric C-F stretch mode ν3 near 1283 cm(-1) in the gas is strongly blue shifted in the film by dynamic dipole coupling. This blue shift provides a very sensitive measure of the inter-molecular spacing in the monolayer and, less directly, in the bilayer. We find that important corrections are necessary to the volumetric coverage scales used in previous heat capacity and x-ray diffraction studies of this system. This requires quantitative and some qualitative changes to the previously proposed phase diagram. We find evidence for a new phase transition in the middle of the hexagonal incommensurate region and construct new phase diagrams in both the variables coverage-temperature and chemical potential-temperature. We determine the compressibility and thermal expansion in the low-pressure hexagonal incommensurate phase and values for the entropy change in several phase transitions. Below about 55 K there is evidence of solution of up to 7% of an impurity, most likely CO, in our monolayer but not the bilayer film.

  15. Phase diagram of the Dirac spectrum at nonzero chemical potential

    International Nuclear Information System (INIS)

    Osborn, J. C.; Splittorff, K.; Verbaarschot, J. J. M.

    2008-01-01

    The Dirac spectrum of QCD with dynamical fermions at nonzero chemical potential is characterized by three regions: a region with a constant eigenvalue density, a region where the eigenvalue density shows oscillations that grow exponentially with the volume and the remainder of the complex plane where the eigenvalue density is zero. In this paper we derive the phase diagram of the Dirac spectrum from a chiral Lagrangian. We show that the constant eigenvalue density corresponds to a pion condensed phase while the strongly oscillating region is given by a kaon condensed phase. The normal phase with nonzero chiral condensate but vanishing Bose condensates coincides with the region of the complex plane where there are no eigenvalues.

  16. Phase diagrams and heterogeneous equilibria a practical introduction

    CERN Document Server

    Predel, Bruno; Pool, Monte

    2004-01-01

    This graduate-level textbook provides an introduction to the practical application of phase diagrams. It is intended for students and researchers in chemistry, metallurgy, mineralogy, and materials science as well as in engineering and physics. Heterogeneous equilibria are described by a minimum of theory illustrated by practical examples and realistic case discussions from the different fields of application. The treatment of the physical and energetic background of phase equilibria leads to the discussion of the thermodynamics of mixtures and the correlation between energetics and composition. Thus, tools for the prediction of energetic, structural, and physical quantities are provided. The authors treat the nucleation of phase transitions, the production and stability of technologically important metastable phases, and metallic glasses. Furthermore, the text also concisely presents the thermodynamics and composition of polymer systems.

  17. Assessment of the thermodynamic properties and phase diagram of the Bi–Pd system

    Czech Academy of Sciences Publication Activity Database

    Vřešťál, J.; Pinkas, J.; Watson, A.; Scott, A.; Houserová, Jana; Kroupa, Aleš

    2006-01-01

    Roč. 30, č. 1 (2006), s. 14-17 ISSN 0364-5916 R&D Projects: GA MŠk(CZ) OC 531.002 Institutional research plan: CEZ:AV0Z2041904 Keywords : phase diagram * thermodynamic modelling Subject RIV: BJ - Thermodynamics Impact factor: 1.432, year: 2006

  18. Mean-field phase diagrams of AT2X2 compounds

    Science.gov (United States)

    Plumer, M. L.

    1994-11-01

    Magnetic-field-temperature phase diagrams of the axial next-nearest-neighbor Ising model are calculated within the framework of a Landau-type expansion of the free energy derived from molecular field theory. Good qualitative agreement is found with recently reported results on body-centered-tetragonal UPd2Si2. This work is expected to also be relevant for related compounds.

  19. Hydration Phase Diagram of Clay Particles from Molecular Simulations.

    Science.gov (United States)

    Honorio, Tulio; Brochard, Laurent; Vandamme, Matthieu

    2017-11-07

    Adsorption plays a fundamental role in the behavior of clays. Because of the confinement between solid clay layers on the nanoscale, adsorbed water is structured in layers, which can occupy a specific volume. The transition between these states is intimately related to key features of clay thermo-hydro-mechanical behavior. In this article, we consider the hydration states of clays as phases and the transition between these states as phase changes. The thermodynamic formulation supporting this idea is presented. Then, the results from grand canonical Monte Carlo simulations of sodium montmorillonite are used to derive hydration phase diagrams. The stability analysis presented here explains the coexistence of different hydration states at clay particle scale and improves our understanding of the irreversibilities of clay thermo-hydro-mechanical behavior. Our results provide insights into the mechanics of the elementary constituents of clays, which is crucial for a better understanding of the macroscopic behavior of clay-rich rocks and soils.

  20. Phase diagram of a bosonic ladder with two coupled chains

    International Nuclear Information System (INIS)

    Luthra, Meetu Sethi; Mishra, Tapan; Pai, Ramesh V.; Das, B. P.

    2008-01-01

    We study a bosonic ladder with two coupled chains using the finite-size density-matrix renormalization group method. We show that in a commensurate bosonic ladder the critical on-site interaction (U C ) for the superfluid to Mott insulator transition gets larger as the interchain hopping (t perpendicular ) increases. We analyze this quantum phase transition and obtain the phase diagram in the t perpendicular -U plane. We also consider the asymmetric case where the on-site interactions are different in the two chains and have shown that the system as a whole will not be in the Mott insulator phase unless both the chains have on-site interactions greater than the critical value

  1. Magnetic phase diagram of FeO at high pressure

    Science.gov (United States)

    Zhang, Peng; Cohen, R. E.; Haule, K.

    2017-05-01

    FeO is an insulator with anti-ferromagnetic (AFM) spin ordering at ambient pressure. At increased external pressure, the Néel temperature of FeO first increases at the pressure below 40 GPa. Experiments predict that the AFM ordering will collapse above 80 GPa, but the mechanism of the high pressure magnetic collapse is still unknown. Using the combination of density functional theory and dynamical mean-field theory (DFT+DMFT), the nature of the magnetic collapse of FeO is examined and its magnetic phase diagram up to 180 GPa is discussed.

  2. Phase diagram and segregation of Ag-Co nanoalloys: insights from theory and simulation

    Science.gov (United States)

    Zhao, Zheng; Fisher, Adrian; Cheng, Daojian

    2016-03-01

    Understanding the phase diagram is the first step to identifying the structure-performance relationship of a material at the nanoscale. In this work, a modified nanothermodynamical model has been developed to predict the phase diagrams of Ag-Co nanoalloys with the size of 1 ˜ 100 nm, which also overcomes the difference in the predicted results between theory and simulation for the first time. Based on this modified model, the phase diagrams of Ag-Co nanoalloys with various polyhedral morphologies (tetrahedron, cube, octahedron, decahedron, dodecahedron, rhombic dodecahedron, truncated octahedron, cuboctahedron, and icosahedron) have been predicted, showing good agreement with molecular dynamics simulations at the nanoscale of 1 ˜ 4 nm. In addition, the surface segregation of Ag-Co nanoalloys has been predicted with a Co-rich core/Ag-rich surface, which is also consistent with the simulation results. Our results highlight a useful roadmap for bridging the difference between theory and simulation in the prediction of the phase diagram at the nanoscale, which will help both theorists and experimentalists.

  3. Phase diagrams of lipid mixtures relevant to the study of membrane rafts

    DEFF Research Database (Denmark)

    Goni, Felix; Alonso, Alicia; Bagatolli, Luis

    2008-01-01

    The present paper reviews the phase properties of phosphatidylcholine-sphingomyelin-cholesterol mixtures, that are often used as models for membrane "raft" microdomains. The available data based on X-ray, microscopic and spectroscopic observations, surface pressure and calorimetric measurements......, and detergent solubilization assays, are critically evaluated and rationalized in terms of triangular phase diagrams. The remaining uncertainties are discussed specifically and separately from the data on which a consensus appears to exist....

  4. Magnetic phase diagram of UNi.sub.2./sub.Si.sub.2./sub. under pressure

    Czech Academy of Sciences Publication Activity Database

    Syshchenko, O.; Khmelevski, S.; Diviš, M.; Sechovský, V.; Honda, F.; Oomi, G.; Andreev, Alexander V.; Kamarád, Jiří; Šebek, Josef; Menovsky, A. A.

    2001-01-01

    Roč. 304, - (2001), s. 477-482 ISSN 0921-4526 R&D Projects: GA ČR GA106/99/0183 Institutional research plan: CEZ:AV0Z1010914 Keywords : U intermetallics * antiferromagnetism * magnetic phase diagram * electrical resistivity * pressure effects on magnetic phases * axial Ising model Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 0.663, year: 2001

  5. Temperature-field phase diagram of extreme magnetoresistance.

    Science.gov (United States)

    Fallah Tafti, Fazel; Gibson, Quinn; Kushwaha, Satya; Krizan, Jason W; Haldolaarachchige, Neel; Cava, Robert Joseph

    2016-06-21

    The recent discovery of extreme magnetoresistance (XMR) in LaSb introduced lanthanum monopnictides as a new platform to study this effect in the absence of broken inversion symmetry or protected linear band crossing. In this work, we report XMR in LaBi. Through a comparative study of magnetotransport effects in LaBi and LaSb, we construct a temperature-field phase diagram with triangular shape that illustrates how a magnetic field tunes the electronic behavior in these materials. We show that the triangular phase diagram can be generalized to other topological semimetals with different crystal structures and different chemical compositions. By comparing our experimental results to band structure calculations, we suggest that XMR in LaBi and LaSb originates from a combination of compensated electron-hole pockets and a particular orbital texture on the electron pocket. Such orbital texture is likely to be a generic feature of various topological semimetals, giving rise to their small residual resistivity at zero field and subject to strong scattering induced by a magnetic field.

  6. Phase diagrams of the ternary alloy with a single-ion anisotropy in the mean-field approximation

    International Nuclear Information System (INIS)

    Dely, J.; Bobak, A.

    2006-01-01

    The phase diagram of the AB p C 1-p ternary alloy consisting of Ising spins S A =32, S B =2, and S C =52 is investigated by the use of a mean-field theory based on the Bogoliubov inequality for the Gibbs free energy. The effect of the single-ion anisotropy on the phase diagrams is discussed by changing values of the parameters in the model Hamiltonian and comparison is made with the recently reported finite-temperature phase diagrams for the ternary alloy having spin S B =1

  7. Phase diagrams of ferroelectric nanocrystals strained by an elastic matrix

    Science.gov (United States)

    Nikitchenko, A. I.; Azovtsev, A. V.; Pertsev, N. A.

    2018-01-01

    Ferroelectric crystallites embedded into a dielectric matrix experience temperature-dependent elastic strains caused by differences in the thermal expansion of the crystallites and the matrix. Owing to the electrostriction, these lattice strains may affect polarization states of ferroelectric inclusions significantly, making them different from those of a stress-free bulk crystal. Here, using a nonlinear thermodynamic theory, we study the mechanical effect of elastic matrix on the phase states of embedded single-domain ferroelectric nanocrystals. Their equilibrium polarization states are determined by minimizing a special thermodynamic potential that describes the energetics of an ellipsoidal ferroelectric inclusion surrounded by a linear elastic medium. To demonstrate the stability ranges of such states for a given material combination, we construct a phase diagram, where the inclusion’s shape anisotropy and temperature are used as two parameters. The ‘shape-temperature’ phase diagrams are calculated numerically for PbTiO3 and BaTiO3 nanocrystals embedded into representative dielectric matrices generating tensile (silica glass) or compressive (potassium silicate glass) thermal stresses inside ferroelectric inclusions. The developed phase maps demonstrate that the joint effect of thermal stresses and matrix-induced elastic clamping of ferroelectric inclusions gives rise to several important features in the polarization behavior of PbTiO3 and BaTiO3 nanocrystals. In particular, the Curie temperature displays a nonmonotonic variation with the ellipsoid’s aspect ratio, being minimal for spherical inclusions. Furthermore, the diagrams show that the polarization orientation with respect to the ellipsoid’s symmetry axis is controlled by the shape anisotropy and the sign of thermal stresses. Under certain conditions, the mechanical inclusion-matrix interaction qualitatively alters the evolution of ferroelectric states on cooling, inducing a structural transition

  8. Aggregation of flexible polyelectrolytes: Phase diagram and dynamics.

    Science.gov (United States)

    Tom, Anvy Moly; Rajesh, R; Vemparala, Satyavani

    2017-10-14

    Similarly charged polymers in solution, known as polyelectrolytes, are known to form aggregated structures in the presence of oppositely charged counterions. Understanding the dependence of the equilibrium phases and the dynamics of the process of aggregation on parameters such as backbone flexibility and charge density of such polymers is crucial for insights into various biological processes which involve biological polyelectrolytes such as protein, DNA, etc. Here, we use large-scale coarse-grained molecular dynamics simulations to obtain the phase diagram of the aggregated structures of flexible charged polymers and characterize the morphology of the aggregates as well as the aggregation dynamics, in the presence of trivalent counterions. Three different phases are observed depending on the charge density: no aggregation, a finite bundle phase where multiple small aggregates coexist with a large aggregate and a fully phase separated phase. We show that the flexibility of the polymer backbone causes strong entanglement between charged polymers leading to additional time scales in the aggregation process. Such slowing down of the aggregation dynamics results in the exponent, characterizing the power law decay of the number of aggregates with time, to be dependent on the charge density of the polymers. These results are contrary to those obtained for rigid polyelectrolytes, emphasizing the role of backbone flexibility.

  9. Overview of the phase diagram of ionic magnetic colloidal dispersions

    International Nuclear Information System (INIS)

    Cousin, F.; Dubois, E.; Cabuil, V.; Boue, F.; Perzynski, R.

    2001-01-01

    We study ionic magnetic colloidal dispersions, which are constituted of γ-Fe 2 O 3 nanoparticles dispersed in water, and stabilized with electrostatic interparticle repulsion. The phase diagram PV versus Φ (P: osmotic pressure, V: particle volume, Φ: particle volume fraction) is explored, especially in the range of high Π and high Φ. The osmotic pressure P of the colloidal dispersion is known either by a measurement either because it is imposed during the sample preparation by osmotic compression. The structure of the colloidal dispersion is determined from Small Angle Neutron Scattering. Two regimes can be distinguished. At high pressure, fluid and solid phases can exist. Their structure is governed by strong electrostatic repulsion, the range of which is here evaluated. At low pressure, gas, liquid and glassy solids can exist. Their structure results from a sticky hard sphere potential. (author)

  10. Diagram, a Learning Environment for Initiation to Object-Oriented Modeling with UML Class Diagrams

    OpenAIRE

    Py, Dominique; Auxepaules, Ludovic; Alonso, Mathilde

    2013-01-01

    International audience; Learning environments for object-oriented modelling in UML which offer a rich interaction usually impose, in return, strong restrictions on the range of exercises they can address. We propose to overcome this limit by including a diagnostic module that compares the student diagram with a reference diagram. This approach enables to combine the advantages of an open environment (in which the teacher can add new exercises without constraints on the vocabulary or the size ...

  11. Computation of a Theoretical Membrane Phase Diagram, and the Role of Phase in Lipid Raft-Mediated Protein Organization

    OpenAIRE

    Mitra, Eshan D.; Whitehead, Samuel C.; Holowka, David; Baird, Barbara; Sethna, James P.

    2018-01-01

    Lipid phase heterogeneity in the plasma membrane is thought to be crucial for many aspects of cell signaling, but the physical basis of participating membrane domains such as "lipid rafts" remains controversial. Here we consider a lattice model yielding a phase diagram that includes several states proposed to be relevant for the cell membrane, including microemulsion - which can be related to membrane curvature - and Ising critical behavior. Using a neural network-based machine learning appro...

  12. Phase relationships in Cu-rich corner of the Cu-Cr-Zr phase diagram

    International Nuclear Information System (INIS)

    Zeng, K.J.; Haemaelaeinen, M.; Lilius, K.

    1995-01-01

    In the available experimental information on the Cu-Cr-Zr ternary system, there exist different opinions concerning the phase relationships in the Cu-rich corner of Cu-Cr-Zr phase diagram. Glazov et al. and Zakharov et al. investigated the Cu-rich corner of the Cu-Cr-Zr phase diagram within the composition range up to 3.5 Cr and 3.5 Zr (wt. %). A quasi-eutectic reaction L → (Cu) + αCr 2 Zr was observed to occur at 1,020 C and several isothermal sections were constructed within the temperature range from 600 to 1,000 C to show the (Cu)-αCr 2 Zr two phase equilibrium. Therefore, a pseudobinary Cu-Cr 2 Zr system was supposed. Afterwards, Dawakatsu et al, Fedorov et al, and Kuznetsov et al studied the cu-rich corner of the phase diagram in a wider composition range up to 5 Cr and 20 Zr (at.%). Contrary to Glazov et al. and Zakharov et al., they found no Cr 2 Zr phase in their samples. Hence, the pseudobinary Cu-Cr 2 Zr system does not exist. In this study an experimental investigation is presented on the phase relationships in Cu-rich corner of the Cu-Cr-Zr phase diagram at 940 C in order to clear up the confusion

  13. Analytical phase diagrams for colloids and non-adsorbing polymer.

    Science.gov (United States)

    Fleer, Gerard J; Tuinier, Remco

    2008-11-04

    introduce the size ratio q=delta/a, where the depletion thickness delta is no longer of order R. In the protein limit the binodal concentrations are above overlap. In such semidilute solutions delta approximately xi, where the De Gennes blob size (correlation length) xi scales as xi approximately phi(-gamma), with gamma=0.77 for good solvents and gamma=1 for a theta solvent. In this limit Pi=Pi(sd) approximately phi(3gamma). We now apply the following additional modifications: With these latter two modifications we obtain again a fully analytical model with simple equations for critical and triple points as a function of q(R). In the protein limit the binodal polymer concentrations scale as q(R)(1/gamma), and phase diagrams phiq(R)(-1/gamma) versus the colloid concentration eta become universal (i.e., independent of the size ratio q(R)). The predictions of this generalized free-volume theory (GFVT) are in excellent agreement with experiment and with computer simulations, not only for the colloid limit but also for the protein limit (and the crossover between these limits). The q(R)(1/gamma) scaling is accurately reproduced by both simulations and other theoretical models. The liquid window is the region between phi(c) (critical point) and phi(t) (triple point). In terms of the ratio phi(t)/phi(c) the liquid window extends from 1 in the cep (here phi(t)-phi(c)=0) to 2.2 in the protein limit. Hence, the liquid window is narrow: it covers at most a factor 2.2 in (external) polymer concentration.

  14. Liquid-ordered phases induced by cholesterol: a compendium of binary phase diagrams.

    Science.gov (United States)

    Marsh, Derek

    2010-03-01

    Mixtures of phospholipids with cholesterol are able to form liquid-ordered phases that are characterised by short-range orientational order and long-range translational disorder. These L(o)-phases are distinct from the liquid-disordered, fluid L(alpha)-phases and the solid-ordered, gel L(beta)-phases that are assumed by the phospholipids alone. The liquid-ordered phase can produce spatially separated in-plane fluid domains, which, in the form of lipid rafts, are thought to act as platforms for signalling and membrane sorting in cells. The areas of domain formation are defined by the regions of phase coexistence in the phase diagrams for the binary mixtures of lipid with cholesterol. In this paper, the available binary phase diagrams of lipid-cholesterol mixtures are all collected together. It is found that there is not complete agreement between different determinations of the phase diagrams for the same binary mixture. This can be attributed to the indirect methods largely used to establish the phase boundaries. Intercomparison of the various data sets allows critical assessment of which phase boundaries are rigorously established from direct evidence for phase coexistence. Copyright 2010 Elsevier B.V. All rights reserved.

  15. Phase diagrams of rare earth metals with gallium

    International Nuclear Information System (INIS)

    Yatsenko, S.P.; Semyannikov, A.A.; Semenov, B.G.; Chuntonov, K.A.

    1979-01-01

    From the results obtained by differential thermal analysis and X-ray diffraction, the state diagrams of the binary systems R-Ga where R=Sc, Y, La, Ce, Pr, Nd, Sm, Eu, Gd, Tb, Dy, Ho, Er, Tm, Yb and Lu are proposed. The liquidus line near Ga has been determined using the solubility data of R in liquid gallium. The previously unknown compounds Sc 5 Ga 4 , ScGa 2 , ScGa 3 , EuGa, DyGa 3 , Er 2 Ga 3 , Tm 2 Ga 3 , TmGa 2 , YbGa, Lu 2 Ga 3 and LuGa 2 are found. ScGa 3 crystallizes in a cubic structure of the AuCu 3 type. A short discussion of the change in the thermal stability of the intermediate phase and its dependence on the order number of the component R is given. (Auth.)

  16. Collapsing cycloidal structures in the magnetic phase diagram of erbium

    DEFF Research Database (Denmark)

    Jehan, D.A.; McMorrow, D.F.; Simpson, J.A.

    1994-01-01

    approximately 20 K, the application of a field is found to favor cycloidal structures with modulation wave vectors of q(c) = (6/23)c*, (4/15)c*, and (2/7)c*. For fields above almost-equal-to 40 kOe, the (2/7) structure dominates the phase diagram. From a detailed study of this most stable cycloid, we determine...... how it distorts as the field is increased. In low fields, there is a spin reorientation, so that the plane of the cycloid becomes perpendicular to the applied field, while in larger fields, the cycloid collapses through a series of fanlike structures. At lower temperatures, as the field is increased...

  17. Effect of salt identity on the phase diagram for a globularprotein in aqueous electrolyte solution

    Energy Technology Data Exchange (ETDEWEB)

    Bostrom, Mathias; Tavares, Frederico W.; Ninham, Barry W.; Prausnitz, John M.

    2006-02-22

    Monte Carlo simulations are used to establish the potential of mean force between two globular proteins in an aqueous electrolyte solution. This potential includes nonelectrostatic contributions arising from dispersion forces first, between the globular proteins, and second, between ions in solution and between each ion and the globular protein. These latter contributions are missing from standard models. The potential of mean force, obtained from simulation, is fitted to an analytic equation. Using our analytic potential of mean force and Barker-Henderson perturbation theory, we obtain phase diagrams for lysozyme solutions that include stable and metastable fluid-fluid and solid-fluid phases when the electrolyte is 0.2 M NaSCN or NaI or NaCl. The nature of the electrolyte has a significant effect on the phase diagram.

  18. Modeling cancer registration processes with an enhanced activity diagram.

    Science.gov (United States)

    Lyalin, D; Williams, W

    2005-01-01

    Adequate instruments are needed to reflect the complexity of routine cancer registry operations properly in a business model. The activity diagram is a key instrument of the Unified Modeling Language (UML) for the modeling of business processes. The authors aim to improve descriptions of processes in cancer registration, as well as in other public health domains, through the enhancements of an activity diagram notation within the standard semantics of UML. The authors introduced the practical approach to enhance a conventional UML activity diagram, complementing it with the following business process concepts: timeline, duration for individual activities, responsibilities for individual activities within swimlanes, and descriptive text. The authors used an enhanced activity diagram for modeling surveillance processes in the cancer registration domain. Specific example illustrates the use of an enhanced activity diagram to visualize a process of linking cancer registry records with external mortality files. Enhanced activity diagram allows for the addition of more business concepts to a single diagram and can improve descriptions of processes in cancer registration, as well as in other domains. Additional features of an enhanced activity diagram allow to advance the visualization of cancer registration processes. That, in turn, promotes the clarification of issues related to the process timeline, responsibilities for particular operations, and collaborations among process participants. Our first experiences in a cancer registry best practices development workshop setting support the usefulness of such an approach.

  19. Analysis of Sequence Diagram Layout in Advanced UML Modelling Tools

    Directory of Open Access Journals (Sweden)

    Ņikiforova Oksana

    2016-05-01

    Full Text Available System modelling using Unified Modelling Language (UML is the task that should be solved for software development. The more complex software becomes the higher requirements are stated to demonstrate the system to be developed, especially in its dynamic aspect, which in UML is offered by a sequence diagram. To solve this task, the main attention is devoted to the graphical presentation of the system, where diagram layout plays the central role in information perception. The UML sequence diagram due to its specific structure is selected for a deeper analysis on the elements’ layout. The authors research represents the abilities of modern UML modelling tools to offer automatic layout of the UML sequence diagram and analyse them according to criteria required for the diagram perception.

  20. Color superconductivity: Phase diagrams and Goldstone bosons in the color-flavor locked phase

    International Nuclear Information System (INIS)

    Kleinhaus, Verena

    2009-01-01

    The phase diagram of strongly interacting matter is studied with great experimental and theoretical effort and is one of the most fascinating research areas in modern particle physics. It is believed that color superconducting phases, in which quarks form Cooper pairs, appear at very high densities and low temperatures. Such phases could appear in the cores of neutron stars. In this work color superconducting phases are studied within the Nambu-Jona-Lasinio model. First of all, the phase diagram of neutral matter in beta equilibrium is calculated for two different diquark couplings. To this end, we determine the dynamical quark masses self-consistently together with the order parameters of color superconductivity. The interplay between neutrality and quark masses results in an interesting phase structure, in particular for the smaller diquark coupling. In the following, we additionally include a conserved lepton number to map the situation in the first few seconds of the evolution of a protoneutron star when neutrinos are trapped. This has a huge influence on the phase structure and favors the 2SC phase compared to the CFL phase. In the second part of this work we concentrate on the CFL phase which is characterized by a special symmetry breaking pattern. The properties of the resulting nine pseudoscalar Goldstone bosons (GB) are studied by solving the Bethe-Salpeter equation for quark-quark scattering. The GB are the lowest-lying excitations in the CFL phase and therefore play an important role for the thermodynamics of the system. The properties of the GB can also be described by the low-energy effective theory (LEET) for the CFL phase. There the respective low-energy constants are derived for asymptotically high densities where the strong force is weak and can be treated perturbatively. Our aim is the comparison of our results with these predictions, on the one hand to check our model in the weak-coupling limit and on the other hand to derive information about

  1. Color superconductivity. Phase diagrams and Goldstone bosons in the color-flavor locked phase

    Energy Technology Data Exchange (ETDEWEB)

    Kleinhaus, Verena

    2009-04-29

    The phase diagram of strongly interacting matter is studied with great experimental and theoretical effort and is one of the most fascinating research areas in modern particle physics. It is believed that color superconducting phases, in which quarks form Cooper pairs, appear at very high densities and low temperatures. Such phases could appear in the cores of neutron stars. In this work color superconducting phases are studied within the Nambu-Jona-Lasinio model. First of all, the phase diagram of neutral matter in beta equilibrium is calculated for two different diquark couplings. To this end, we determine the dynamical quark masses self-consistently together with the order parameters of color superconductivity. The interplay between neutrality and quark masses results in an interesting phase structure, in particular for the smaller diquark coupling. In the following, we additionally include a conserved lepton number to map the situation in the first few seconds of the evolution of a protoneutron star when neutrinos are trapped. This has a huge influence on the phase structure and favors the 2SC phase compared to the CFL phase. In the second part of this work we concentrate on the CFL phase which is characterized by a special symmetry breaking pattern. The properties of the resulting nine pseudoscalar Goldstone bosons (GB) are studied by solving the Bethe-Salpeter equation for quark-quark scattering. The GB are the lowest-lying excitations in the CFL phase and therefore play an important role for the thermodynamics of the system. The properties of the GB can also be described by the low-energy effective theory (LEET) for the CFL phase. There the respective low-energy constants are derived for asymptotically high densities where the strong force is weak and can be treated perturbatively. Our aim is the comparison of our results with these predictions, on the one hand to check our model in the weak-coupling limit and on the other hand to derive information about

  2. Lyapunov exponents and phase diagrams reveal multi-factorial control over TRAIL-induced apoptosis.

    Science.gov (United States)

    Aldridge, Bree B; Gaudet, Suzanne; Lauffenburger, Douglas A; Sorger, Peter K

    2011-11-22

    Receptor-mediated apoptosis proceeds via two pathways: one requiring only a cascade of initiator and effector caspases (type I behavior) and the second requiring an initiator-effector caspase cascade and mitochondrial outer membrane permeabilization (type II behavior). Here, we investigate factors controlling type I versus II phenotypes by performing Lyapunov exponent analysis of an ODE-based model of cell death. The resulting phase diagrams predict that the ratio of XIAP to pro-caspase-3 concentrations plays a key regulatory role: type I behavior predominates when the ratio is low and type II behavior when the ratio is high. Cell-to-cell variability in phenotype is observed when the ratio is close to the type I versus II boundary. By positioning multiple tumor cell lines on the phase diagram we confirm these predictions. We also extend phase space analysis to mutations affecting the rate of caspase-3 ubiquitylation by XIAP, predicting and showing that such mutations abolish all-or-none control over activation of effector caspases. Thus, phase diagrams derived from Lyapunov exponent analysis represent a means to study multi-factorial control over a complex biochemical pathway.

  3. Constructing set-valued fundamental diagrams from jamiton solutions in second order traffic models

    KAUST Repository

    Seibold, Benjamin

    2013-09-01

    Fundamental diagrams of vehicular traiic ow are generally multivalued in the congested ow regime. We show that such set-valued fundamental diagrams can be constructed systematically from simple second order macroscopic traiic models, such as the classical Payne-Whitham model or the inhomogeneous Aw-Rascle-Zhang model. These second order models possess nonlinear traveling wave solutions, called jamitons, and the multi-valued parts in the fundamental diagram correspond precisely to jamiton-dominated solutions. This study shows that transitions from function-valued to set-valued parts in a fundamental diagram arise naturally in well-known second order models. As a particular consequence, these models intrinsically reproduce traiic phases. © American Institute of Mathematical Sciences.

  4. Miscibility Phase Diagrams of Giant Vesicles Containing Sphingomyelin

    Science.gov (United States)

    Veatch, Sarah L.; Keller, Sarah L.

    2005-04-01

    Saturated sphingomyelin (SM) lipids are implicated in lipid rafts in cell plasma membranes. Here we use fluorescence microscopy to observe coexisting liquid domains in vesicles containing SM, an unsaturated phosphatidylcholine lipid (either DOPC or POPC), and cholesterol. We note similar phase behavior in a model membrane mixture without SM (DOPC/DPPC/Chol), but find no micron-scale liquid domains in membranes of POPC/PSM/Chol. We delineate the onset of solid phases below the miscibility transition temperature, and detail indirect evidence for a three-phase coexistence of one solid and two liquid phases.

  5. Construction of a DOPC/PSM/cholesterol phase diagram based on the fluorescence properties of trans-parinaric acid.

    Science.gov (United States)

    Nyholm, Thomas K M; Lindroos, Daniel; Westerlund, Bodil; Slotte, J Peter

    2011-07-05

    Cell membranes have a nonhomogenous lateral organization. Most information about such nonhomogenous mixing has been obtained from model membrane studies where defined lipid mixtures have been characterized. Various experimental approaches have been used to determine binary and ternary phase diagrams for systems under equilibrium conditions. Such phase diagrams are the most useful tools for understanding the lateral organization in cellular membranes. Here we have used the fluorescence properties of trans-parinaric acid (tPA) for phase diagram determination. The fluorescence intensity, anisotropy, and fluorescence lifetimes of tPA were measured in bilayers composed of one to three lipid components. All of these parameters could be used to determine the presence of liquid-ordered and gel phases in the samples. However, the clearest information about the phase state of the lipid bilayers was obtained from the fluorescence lifetimes of tPA. This is due to the fact that an intermediate-length lifetime was found in samples that contain a liquid-ordered phase and a long lifetime was found in samples that contained a gel phase, whereas tPA in the liquid-disordered phase has a markedly shorter fluorescence lifetime. On the basis of the measured fluorescence parameters, a phase diagram for the 1,2-dioleoyl-sn-glycero-3-phosphocholine/N-palmitoyl sphingomyelin/cholesterol system at 23 °C was prepared with a 5 mol % resolution. We conclude that tPA is a good fluorophore for probing the phase behavior of complex lipid mixtures, especially because multilamellar vesicles can be used. The determined phase diagram shows a clear resemblance to the microscopically determined phase diagram for the same system. However, there are also significant differences that likely are due to tPA's sensitivity to the presence of submicroscopic liquid-ordered and gel phase domains. © 2011 American Chemical Society

  6. Interdependent binary choices under social influence: Phase diagram for homogeneous unbiased populations

    Science.gov (United States)

    Fernández del Río, Ana; Korutcheva, Elka; de la Rubia, Javier

    2012-07-01

    Coupled Ising models are studied in a discrete choice theory framework, where they can be understood to represent interdependent choice making processes for homogeneous populations under social influence. Two different coupling schemes are considered. The nonlocal or group interdependence model is used to study two interrelated groups making the same binary choice. The local or individual interdependence model represents a single group where agents make two binary choices which depend on each other. For both models, phase diagrams, and their implications in socioeconomic contexts, are described and compared in the absence of private deterministic utilities (zero opinion fields).

  7. Condensation phase diagrams for lipid-coated perfluorobutane microbubbles.

    Science.gov (United States)

    Mountford, Paul A; Sirsi, Shashank R; Borden, Mark A

    2014-06-03

    The goal of this study was to explore the thermodynamic conditions necessary to condense aqueous suspensions of lipid-coated gas-filled microbubbles into metastable liquid-filled nanodrops as well as the physicochemical mechanisms involved with this process. Individual perfluorobutane microbubbles and their lipid shells were observed as they were pressurized at 34.5 kPa s(-1) in a microscopic viewing chamber maintained at temperatures ranging from 5 to 75 °C. The microbubbles contracted under pressure, ultimately leading to either full dissolution or microbubble-to-nanodrop condensation. Temperature-pressure phase diagrams conveying condensation and stability transitions were constructed for microbubbles coated with saturated diacylphosphatidylcholine lipids of varying acyl chain length (C16 to C24). The onset of full dissolution was shifted to higher temperatures with the use of longer acyl chain lipids or supersaturated media. Longer chain lipid shells resisted both dissolution of the gas core and mechanical compression through a pronounced wrinkle-to-fold collapse transition. Interestingly, the lipid shell also provided a mechanical resistance to condensation, shifting the vapor-to-liquid transition to higher pressures than for bulk perfluorobutane. This result indicated that the lipid shell can provide a negative apparent surface tension under compression. Overall, the results of this study will aid in the design and formulation of vaporizable fluorocarbon nanodrops for various applications, such as diagnostic ultrasound imaging, targeted drug delivery, and thermal ablation.

  8. Construction of UML class diagram with Model-Driven Development

    Directory of Open Access Journals (Sweden)

    Tomasz Górski

    2016-03-01

    Full Text Available Model transformations play a key role in software development projects based on Model--Driven Development (MDD principles. Transformations allow for automation of repetitive and well-defined steps, thus shortening design time and reducing a number of errors. In the object-oriented approach, the key elements are use cases. They are described, modelled and later designed until executable application code is obtained. The aim of the paper is to present transformation of a model-to-model type, Communication-2-Class, which automates construction of Unified Modelling Language (UML class diagram in the context of the analysis/design model. An UML class diagram is created based on UML communication diagram within use case realization. As a result, a class diagram shows all of the classes involved in the use case realization and the relationships among them. The plug-in which implements Communication-2-Class transformation was implemented in the IBM Rational Software Architect. The article presents the tests results of developed plug-in, which realizes Communication-2-Class transformation, showing capabilities of shortening use case realization’s design time.[b]Keywords[/b]: Model-Driven Development, transformations, Unified Modelling Language, analysis/design model, UML class diagram, UML communication diagram

  9. Anisotropic Phase diagram of the Frustrated spin chain β-TeVO4

    Science.gov (United States)

    Weickert, F.; Jaime, M.; Harrison, N.; Scott, B. L.; Leitmae, A.; Heinmaa, L.; Stern, R.; Janson, O.; Berger, H.; Rosner, H.; Tsirlin, A. A.

    We will present experimental as well as theoretical data on β-TeVO4 a candidate for the J1-J2 chain model with ferromagnetic J1 ~-18 K and antiferrromagnetic J2 ~48 K coupling constants. The T - H magnetic phase diagram is revealed by measurements of the magnetization, specific heat, magnetostriction, and thermal expansion on oriented single crystals at temperatures between 0.5 K and 50 K and in magnetic fields up to 50 T. The high field data were taken in a capacitor bank-driven pulsed magnet at NHMFL - LANL and complemented with measurements in a superconducting magnet. Our comprehensive study allows for the first time a detailed mapping of the phase diagram in both directions, H ll ab and H ll c. We find clear evidence for 5 different phases including full polarization of the magnetic moments above 23 T that is only weakly dependent on the crystal orientation. Surprisingly, the phase boundary at the saturation field splits into two distinct lines below 5 K. The magnetic phases occurring at fields below 10 T show significant magnetic anisotropy between H ll ab and H ll c. The nature of the different phases and regions in β-TeVO4 is still far from being understood, but our results will stimulate further research on this interesting model compound.

  10. Numerical insights into the phase diagram of p-atic membranes with spherical topology

    DEFF Research Database (Denmark)

    Hansen, Allan Grønhøj; Ramakrishnan, N.; Sunil Kumar, P. B.

    2017-01-01

    Abstract.: The properties of self-avoiding p-atic membranes restricted to spherical topology have been studied by Monte Carlo simulations of a triangulated random surface model. Spherically shaped p-atic membranes undergo a Kosterlitz-Thouless transition as expected with topology induced mutually...... of disclinations. We confirm the proposed buckling of disclinations in the p-atic ordered phase, while the expected associated disordering (crumpling) transition at low bending rigidities is absent in the phase diagram. Graphical abstract: [Figure not available: see fulltext.]...

  11. Analytical Determining Of The Steinmetz Equivalent Diagram Elements Of Single-Phase Transformer

    Directory of Open Access Journals (Sweden)

    T. Aly Saandy

    2015-08-01

    Full Text Available This article presents to an analytical calculation methodology of the Steinmetz Equivalent Diagram Elements applied to the prediction of Eddy current loss in a single-phase transformer. Based on the electrical circuit theory the active and reactive powers consumed by the core are expressed analytically in function of the electromagnetic parameters as resistivity permeability and the geometrical dimensions of the core. The proposed modeling approach is established with the duality parallel series. The equivalent diagram elements empirically determined by Steinmetz are analytically expressed using the expressions of the no loaded transformer consumptions. To verify the relevance of the model validations both by simulations with different powers and measurements were carried out to determine the resistance and reactance of the core. The obtained results are in good agreement with the theoretical approach and the practical results.

  12. Field-induced phase transitions and phase diagrams in BiFeO3-like multiferroics

    Science.gov (United States)

    Gareeva, Z. V.; Popkov, A. F.; Soloviov, S. V.; Zvezdin, A. K.

    2013-06-01

    We explore incommensurate magnetic structures and phase diagrams of multiferroics through accurate micromagnetic analysis, taking into account the spin flexoelectric interaction (the so-called Lifshitz invariant). We consider BiFeO3 single crystals and epitaxial films grown on (111) substrates. The main control parameters of these systems are the magnetic field, magnetic anisotropy, and, in the case of thin films, epitaxial strain. We construct phase diagrams representing stability regions for the homogeneous magnetic states and incommensurate structures for two geometries of the field (parallel to the principal crystal axis H∥C3 and perpendicular to this direction H⊥C3). It is shown that the direction of applied magnetic field substantially affects the magnetic phases, the properties of incommensurate structures, and the character of phase transitions. A conical type of cycloidal ordering is revealed to exist during the transition from the incommensurate cycloidal structure to the homogeneous magnetic state. Constructed phase diagrams provide the combination of control parameters required to suppress the cycloidal ordering. Our results show that the critical magnetic field for suppression of the cycloid is lower in thin films than in single crystals, and can also be lowered by appropriate selection of applied magnetic field orientation. These results provide a stronger understanding of the complex magnetic ordering in BiFeO3 and can be useful for strain engineering of new multiferroic materials on demand.

  13. Quantum phase diagram of the integrable px+ipy fermionic superfluid

    DEFF Research Database (Denmark)

    Rombouts, Stefan; Dukelsky, Jorge; Ortiz, Gerardo

    2010-01-01

    We determine the zero-temperature quantum phase diagram of a px+ipy pairing model based on the exactly solvable hyperbolic Richardson-Gaudin model. We present analytical and large-scale numerical results for this model. In the continuum limit, the exact solution exhibits a third-order quantum pha...

  14. Magnetic phase diagram simulation of La{sub 1-x}Ca{sub x}MnO{sub 3} system by using Monte Carlo, Metropolis algorithm and Heisenberg model

    Energy Technology Data Exchange (ETDEWEB)

    Restrepo-Parra, E., E-mail: erestrepopa@unal.edu.c [Departamento de Fisica y Quimica, Universidad Nacional de Colombia-Sede Manizales, A.A. 127 Manizales (Colombia); Salazar-Enriquez, C.D.; Londono-Navarro, J.; Jurado, J.F. [Departamento de Fisica y Quimica, Universidad Nacional de Colombia-Sede Manizales, A.A. 127 Manizales (Colombia); Restrepo, J. [Grupo de Magnetismo y Simulacion, Instituto de Fisica. Universidad de Antioquia, A.A. 1226, Medellin (Colombia)

    2011-06-15

    This work presents a critical temperature study of La{sub 1-x}Ca{sub x}MnO{sub 3} manganites in bulk by means of Monte Carlo method thermal activated magnetic properties. The analysis was carried out for stoichiometries in the range of 0{<=}x{<=}1. The model is based on a three-dimensional classical Heisenberg-Hamiltonian involving the presence of Mn{sup 3+eg}, Mn{sup 3+eg'} and Mn{sup 4+} ions, and their nearest neighbor interaction. For this modeling, simple cubic lattice samples of size L{sup 3}, with L=6, 15 and 30 were used. The values of exchange parameters were determined by using LaMnO{sub 3} (x=0), La{sub 0.5}Ca{sub 0.5}MnO{sub 3} and CaMnO{sub 3} (x=1) phases. Relationships between exchange parameters and anisotropy constants for different hole densities were found. Results of transition temperatures for each phase showed good agreement with experimental reports, especially for L=30 and L{yields}{infinity}. - Research highlights: Stoichiometry influences the exchange interaction between magnetic ions. Charge and orbital ordering depend on the stoichiometry. LCMO magnetic phase diagram has a great variety of magnetic states.

  15. A theory for the orientational ordering in nematic liquids and for the phase diagram of the nematic-isotropic transition

    International Nuclear Information System (INIS)

    Hazoume, R.P.

    1982-10-01

    A molecular theory for the orientational distribution function f(#betta#) in the nematic phase is presented. Simple models are also derived yielding nematic order parameters in agreement with experimental data. The phase diagram of the nematic-isotropic transition is obtained by using a rigid rod model, showing that a short-range order theory does explain the structure in the nematic phase. (author)

  16. Phase diagrams of high temperature and high density QCD

    International Nuclear Information System (INIS)

    Fukushima, Kenji

    2012-01-01

    It is extremely difficult to solve QCD non-perturbatively in general, but at very high temperature and pressure perturbative calculation becomes possible to a certain extent, and it is possible to find out the nontrivial vacuum structure more or less. It is not necessarily a dream anymore at present to investigate the phase structure from the QCD itself, but it is rather general to discuss the phase transitions and the phase structures on the basis of effective models haring the global symmetry in common. It is indispensable to understand the QCD calculations to know the applicability of the models, since various experience obtained in the study of the perturbative calculations are reflected there. At first the finite temperature field theory is introduced. The calculation of grand distribution function Z is described in detail. Then finite temperature Yang-Mills theory is taken up. Finally finite temperature quark effect is studied. Within the limited space of the present note farther descriptions are spared. But it is necessary to go further by constructing the Polyakov loop potential to describe the extended Weiss potentials non-perturbatively for the proper deconfined phase transitions. And it is necessary to assume the setup of the model to break the chiral symmetry spontaneously and so on. (S. Funahashi)

  17. Gas Hydrate Stability and Sampling: The Future as Related to the Phase Diagram

    Directory of Open Access Journals (Sweden)

    E. Dendy Sloan

    2010-12-01

    Full Text Available The phase diagram for methane + water is explained, in relation to hydrate applications, such as in flow assurance and in nature. For natural applications, the phase diagram determines the regions for hydrate formation for two- and three-phase conditions. Impacts are presented for sample preparation and recovery. We discuss an international study for “Round Robin” hydrate sample preparation protocols and testing.

  18. Gas hydrate stability and sampling: the future as related to the phase diagram

    Energy Technology Data Exchange (ETDEWEB)

    Sloan, E. D.; Koh, C. A.; Sum, A. K. [Center for Hydrate Research, Chemical Engineering Department, Colorado School of Mines, 1500 Illinois Street, Golden, CO 80401 (United States)

    2010-12-15

    The phase diagram for methane plus water is explained, in relation to hydrate applications, such as in flow assurance and in nature. For natural applications, the phase diagram determines the regions for hydrate formation for two- and three-phase conditions. Impacts are presented for sample preparation and recovery. We discuss an international study for 'Round Robin' hydrate sample preparation protocols and testing. (authors)

  19. Experimental determination and modeling of the solubility phase diagram of the ternary system (Li{sub 2}SO{sub 4} + K{sub 2}SO{sub 4} + H{sub 2}O) at 288.15 K

    Energy Technology Data Exchange (ETDEWEB)

    Wang, Shiqiang, E-mail: wangshiqiang@tust.edu.cn [Tianjin Key Laboratory of Marine Resources and Chemistry, College of Marine Science and Engineering, Tianjin University of Science and Technology, Tianjin 300457 (China); Guo, Yafei [Tianjin Key Laboratory of Marine Resources and Chemistry, College of Marine Science and Engineering, Tianjin University of Science and Technology, Tianjin 300457 (China); Li, Dongchan [Engineering Research Center of Seawater Utilization Technology of Ministry of Education, Hebei University of Technology, Tianjin 300130 (China); Tang, Peng; Deng, Tianlong [Tianjin Key Laboratory of Marine Resources and Chemistry, College of Marine Science and Engineering, Tianjin University of Science and Technology, Tianjin 300457 (China)

    2015-02-10

    Highlights: • Solubility of the ternary system Li{sub 2}SO{sub 4} + K{sub 2}SO{sub 4} + H{sub 2}O at 288.15 K has been measured. • Phase diagram of this system was simulated and calculated by a thermodynamic model. • Li{sub 2}SO{sub 4}·K{sub 2}SO{sub 4} belongs to the incongruent double salt in this system. • Solution density was calculated using empirical equation. - Abstract: The solubility and density in the thermodynamic phase equilibria ternary system (Li{sub 2}SO{sub 4} + K{sub 2}SO{sub 4} + H{sub 2}O) at 288.15 K and 0.1 MPa were investigated experimentally with the method of isothermal dissolution equilibrium. This system at 288.15 K consists of two invariant points, three univariant isothermal dissolution curves; and three crystallization regions. The salt Li{sub 2}SO{sub 4}·K{sub 2}SO{sub 4} belongs to the incongruent double salt, and no solid solution was found. Based on the Pitzer model and its extended Harvie–Weare (HW) model, the mixing ion-interaction parameters of θ{sub Li,K}, ψ{sub Li,K,SO4} at 288.15 K and the solubility equilibrium constants K{sub sp} of solid phases Li{sub 2}SO{sub 4}·H{sub 2}O and Li{sub 2}SO{sub 4}·K{sub 2}SO{sub 4}, which are not reported in the literature were acquired. A comparison between the calculated and experimental results at 288.15 K for the ternary system shows that the calculated solubilities obtained with the extended HW model agree well with experimental data.

  20. Magnetic phase diagram of superantiferromagnetic TbCu2 nanoparticles

    Science.gov (United States)

    Echevarria-Bonet, C.; Rojas, D. P.; Espeso, J. I.; Rodríguez Fernández, J.; de la Fuente Rodríguez, M.; Fernández Barquín, L.; Rodríguez Fernández, L.; Gorria, P.; Blanco, J. A.; Fdez-Gubieda, M. L.; Bauer, E.; Damay, F.

    2015-12-01

    The structural state and static and dynamic magnetic properties of TbCu2 nanoparticles are reported to be produced by mechanical milling under inert atmosphere. The randomly dispersed nanoparticles as detected by TEM retain the bulk symmetry with an orthorhombic Imma lattice and Tb and Cu in the 4e and 8h positions, respectively. Rietveld refinements confirm that the milling produces a controlled reduction of particle sizes reaching ≃6 nm and an increase of the microstrain up to ≃0.6%. The electrical resistivity indicates a metallic behavior and the presence of a magnetic contribution to the electronic scattering which decreases with milling times. The dc-susceptibility shows a reduction of the Néel transition (from 49 K to 43 K) and a progressive increase of a peak (from 9 K to 15 K) in the zero-field-cooled magnetization with size reduction. The exchange anisotropy is very weak (a bias field of ≃30 Oe) and is due to the presence of a disordered (thin) shell coupled to the antiferromagnetic core. The dynamic susceptibility evidences a critical slowing down in the spin-disordered state for the lowest temperature peak associated with a spin glass-like freezing with a tendency of zv and β exponents to increase when the size becomes 6 nm (zv≃ 6.6 and β ≃ 0.85 ). A Rietveld analysis of the neutron diffraction patterns 1.8≤slant T≤slant 60 K, including the magnetic structure determination, reveals that there is a reduction of the expected moment (≃80%), which must be connected to the presence of the disordered particle shell. The core magnetic structure retains the bulk antiferromagnetic arrangement. The overall interpretation is based on a superantiferromagnetic behavior which at low temperatures coexists with a canting of surface moments and a mismatch of the antiferromagnetic sublattices of the nanoparticles. We propose a novel magnetic phase diagram where changes are provoked by a combination of the decrease of size and the increase of

  1. The binary (solid + liquid) phase diagrams of (caprylic or capric acid) + (1-octanol or 1-decanol)

    International Nuclear Information System (INIS)

    Carareto, Natália D.D.; Castagnaro, Thamires; Costa, Mariana C.; Meirelles, Antonio J.A.

    2014-01-01

    Highlights: • SLE of mixtures of caprylic acid, (capric acid + 1-octanol), 1-decanol were studied. • Experimental data were obtained through DSC and Stepscan DSC. • Systems presented eutectic and peritectic points. • Liquidus line was modeled using Margules and NRTL models. • Solid phase was modeled using the Slaughter and Doherty approach. - Abstract: In the present study the phase diagrams of four (fatty acid + fatty alcohol) binary mixtures composed of caprylic (C8O2) or capric acid (C10O2) + 1-octanol (C8OH) or 1-decanol (C10OH) were obtained by differential scanning calorimetry (DSC). Eutectic and peritectic reactions occurred in the systems. In standard DSC analyses of the (C8O2 + C10OH) and (C10O2 + C8OH) systems, an exothermic transition occurs in association with the melting of a metastable phase. A Stepscan DSC method was used in order to avoid the formation of this metastable phase during the heating of the mixtures. The approach suggested by Slaughter and Doherty (1995) [24] was used for modeling the solid phase, and the Margules 2-suffix, Margules 3-suffix and NRTL models were applied for calculating the activity coefficients of the liquid phase. The best modeling results were obtained using the Margules-3-suffix with an average deviation between experimental and calculated values ranging from T = (0.3 to 0.9) K

  2. The phase diagram of quantum systems: Heisenberg antiferromagnets

    OpenAIRE

    Gianinetti, Pietro; Parola, Alberto

    2000-01-01

    A novel approach for studying phase transitions in systems with quantum degrees of freedom is discussed. Starting from the microscopic hamiltonian of a quantum model, we first derive a set of exact differential equations for the free energy and the correlation functions describing the effects of fluctuations on the thermodynamics of the system. These equations reproduce the full renormalization group structure in the neighborhood of a critical point keeping, at the same time, full information...

  3. Phase diagram of NaFe(WO{sub 4}){sub 2}

    Energy Technology Data Exchange (ETDEWEB)

    Sanders, Yvonne; Orbe, Stephanie; Heyer, Oliver; Lorenz, Thomas [II. Physikalisches Institut, University of Cologne (Germany); Jodlauk, Sven; Albiez, Sebastian; Becker, Petra; Bohaty, Ladislav [Institut fuer Kristallographie, University of Cologne (Germany)

    2011-07-01

    Multiferroic materials show simultaneous ferroelectric and magnetic order, which are strongly coupled to each other. A well-known model system is MnWO{sub 4} with only one kind of magnetic ions and three magnetically ordered phases below {proportional_to}13 K. Here, the multiferroic behavior of one of these phases arises from an incommensurate spin spiral structure. Much less is known about the double tungstate NaFe(WO{sub 4}){sub 2}, which has a structure closely related to MnWO{sub 4}. While in MnWO{sub 4} sheets parallel (100) of MnO{sub 6} zig-zag chains alternate with similar sheets of WO{sub 6}, in NaFe(WO{sub 4}){sub 2} an alternating sheet sequence FeO{sub 6}-WO{sub 6}-NaO{sub 6}-WO{sub 6} - is found. Consequently, the a lattice parameter is doubled and the magnetic subsystem is diluted. The ordering temperature in NaFe(WO{sub 4}){sub 2} is reduced to T{sub N}{approx} 4 K. The magnetic structure in zero magnetic field is reported to be collinear antiferromagnetic, but the H-T phase diagram has not been published so far. Here, we present a detailed study of this phase diagram obtained by high-resolution thermal expansion and magnetostriction measurements. We find pronounced hysteresis effects, which resemble those observed in other multiferroic materials.

  4. Phase diagram of the anisotropic Anderson transition with the atomic kicked rotor: theory and experiment

    Science.gov (United States)

    Lopez, Matthias; Clément, Jean-François; Lemarié, Gabriel; Delande, Dominique; Szriftgiser, Pascal; Garreau, Jean Claude

    2013-06-01

    We realize experimentally a cold-atom system, the quasiperiodic kicked rotor, equivalent to the three-dimensional Anderson model of disordered solids where the anisotropy between the x direction and the y-z plane can be controlled by adjusting an experimentally accessible parameter. This allows us to study experimentally the disorder versus anisotropy phase diagram of the Anderson metal-insulator transition. Numerical and experimental data compare very well with each other and a theoretical analysis based on the self-consistent theory of localization correctly describes the observed behavior, illustrating the flexibility of cold-atom experiments for the study of transport phenomena in complex quantum systems.

  5. Phase diagram of the Z(4) ferromagnet in anisotropic square lattice

    International Nuclear Information System (INIS)

    Tsallis, C.; Souletie, J.

    1985-01-01

    Within a real-space renormalisation-group (RG) scheme, the criticality of the ferromagnetic Z(4) model on anisotropic square lattice is studied. A RG cluster which has already proved to be very efficient for the Potts model on the same lattice is used. The establishment of the RG recurrence relations is greatly simplified through the break-collapse method. The phase diagram (exhibiting ferromagnetic, paramagnetic and nematic-like phases) recovers all the available exact results, and is believed to be a high precision one everywhere. If the model is alternatively thought as being associated with a particular hierarchical lattice rather than with the square one, then it is exact everywhere. (Author) [pt

  6. The equilibrium phase diagram of the magnesium-copper-yttrium system

    International Nuclear Information System (INIS)

    Mezbahul-Islam, Mohammad; Kevorkov, Dmytro; Medraj, Mamoun

    2008-01-01

    Thermodynamic modelling of the Mg-Cu-Y system is carried out as a part of thermodynamic database construction for Mg alloys. This system is being modelled for the first time using the modified quasichemical model which considers the presence of short range ordering in the liquid. A self-consistent thermodynamic database for the Mg-Cu-Y system was constructed by combining the thermodynamic descriptions of the constituent binaries, Mg-Cu, Cu-Y, and Mg-Y. All the three binaries have been re-optimized based on the experimental phase equilibrium and thermodynamic data available in the literature. The constructed database is used to calculate and predict thermodynamic properties, the binary phase diagrams and liquidus projections of the ternary Mg-Cu-Y system. The current calculation results are in good agreement with the experimental data reported in the literature

  7. Ab initio Equation of State and Phase Diagram of MgO in the megabar regime

    Science.gov (United States)

    Soubiran, F.; Militzer, B.

    2017-12-01

    Accurate equations of state (EOS) and phase diagrams for silicate materials are a cornerstone of Earth, Super-Earth's and giant planet cores' models. While recent shock wave experiments have provided new data on the principal Hugoniot curve, accessing off-Hugoniot states is much more challenging. Ab initio computer simulations offer the possibility to complement the experiments in this regard. Here we report results of an extensive set of ab initio simulations of MgO in solid and liquid phases over a wide range of parameters relevant for Earth, Super-Earth's and giant planet's interiors. Using the thermodynamic integration technique, we derive a consistent EOS including free energy and entropy information. We will discuss the relative stability of different phases.

  8. Complex kinetics of fluctuating enzymes: phase diagram characterization of a minimal kinetic scheme.

    Science.gov (United States)

    Min, Wei; Jiang, Liang; Xie, X Sunney

    2010-05-03

    Enzyme molecules are dynamic entities with stochastic fluctuation in both protein conformation and enzymatic activity. However, such a notion of fluctuating enzymes, best characterized by recent single-molecule experiments, was not considered in the classic Michaelis-Menten (MM) kinetic scheme. Here we incorporate the fluctuation concept into the reversible MM scheme, and solve analytically all the possible kinetics (i.e., substrate concentration dependent enzymatic velocity) for a minimal model of fluctuating enzymes. Such a minimal model is found to display a variety of distinct kinetic behaviors (phases) in addition to the classic MM kinetics; excess substrate inhibition, sigmoidal kinetics, and concave biphasic kinetics. We find that all these kinetic phases are interrelated and unified under the framework of fluctuating enzymes and can be adequately described by a phase diagram that consists of two master parameters. Functionally, substrate inhibition, sigmoidal kinetics, and convex biphasic phases exhibit positive cooperativity, whereas concave biphasic phases display negative cooperativity. Remarkably, all these complex kinetics are produced by fluctuating enzymes with single substrate binding site, but the two conformations are, therefore, fundamentally different from the classic MWC and KNF models that require multiple subunit or binding sites. This model also suggests that, for a given enzyme/substrate pair, the non-MM behaviors could undergo transitions among different kinetic phases induced by varying product concentrations, owing to the fundamental Haldane symmetry in the reversible MM scheme.

  9. Theoretical Prediction of Melting Relations in the Deep Mantle: the Phase Diagram Approach

    Science.gov (United States)

    Belmonte, D.; Ottonello, G. A.; Vetuschi Zuccolini, M.; Attene, M.

    2016-12-01

    Despite the outstanding progress in computer technology and experimental facilities, understanding melting phase relations in the deep mantle is still an open challenge. In this work a novel computational scheme to predict melting relations at HP-HT by a combination of first principles DFT calculations, polymer chemistry and equilibrium thermodynamics is presented and discussed. The adopted theoretical framework is physically-consistent and allows to compute multi-component phase diagrams relevant to Earth's deep interior in a broad range of P-T conditions by a convex-hull algorithm for Gibbs free energy minimisation purposely developed for high-rank simplexes. The calculated phase diagrams are in turn used as a source of information to gain new insights on the P-T-X evolution of magmas in the deep mantle, providing some thermodynamic constraints to both present-day and early Earth melting processes. High-pressure melting curves of mantle silicates are also obtained as by-product of phase diagram calculation. Application of the above method to the MgO-Al2O3-SiO2 (MAS) ternary system highlights as pressure effects are not only able to change the nature of melting of some minerals (like olivine and pyroxene) from eutectic to peritectic (and vice versa), but also simplify melting relations by drastically reducing the number of phases with a primary phase field at HP-HT conditions. It turns out that mineral phases like Majorite-Pyrope garnet and Anhydrous Phase B (Mg14Si5O24), which are often disregarded in modelling melting processes of mantle assemblages, are stable phases at solidus or liquidus conditions in a P-T range compatible with the mantle transition zone (i.e. P = 16 - 23 GPa and T = 2200 - 2700 °C) when their thermodynamic and thermophysical properties are properly assessed. Financial support to the Senior Author (D.B.) during his stay as Invited Scientist at the Institut de Physique du Globe de Paris (IPGP, Paris) is warmly acknowledged.

  10. Thermodynamic Calculations of Ternary Polyalcohol and Amine Phase Diagrams for Thermal Energy Storage Materials

    Science.gov (United States)

    Shi, Renhai

    Organic polyalcohol and amine globular molecular crystal materials as phase change materials (PCMs) such as Pentaglycerine (PG-(CH3)C(CH 2OH)3), Tris(hydroxymethyl)aminomethane (TRIS-(NH2)C(CH 2OH)3), 2-amino-2methyl-1,3-propanediol (AMPL-(NH2)(CH3)C(CH2OH)2), and neopentylglycol (NPG-(CH3)2C(CH2OH) 2) can be considered to be potential candidates for thermal energy storage (TES) applications such as waste heat recovery, solar energy utilization, energy saving in buildings, and electronic device management during heating or cooling process in which the latent heat and sensible heat can be reversibly stored or released through solid state phase transitions over a range of temperatures. In order to understand the polymorphism of phase transition of these organic materials and provide more choice of materials design for TES, binary systems have been studied to lower the temperature of solid-state phase transition for the specific application. To our best knowledge, the study of ternary systems in these organic materials is limited. Based on this motivation, four ternary systems of PG-TRIS-AMPL, PG-TRIS-NPG, PG-AMPL-NPG, and TRIS-AMPL-NPG are proposed in this dissertation. Firstly, thermodynamic assessment with CALPHAD method is used to construct the Gibbs energy functions into thermodynamic database for these four materials based on available experimental results from X-Ray Diffraction (XRD) and Differential Scanning Calorimetry (DSC). The phase stability and thermodynamic characteristics of these four materials calculated from present thermodynamic database with CALPHAD method can match well the present experimental results from XRD and DSC. Secondly, related six binary phase diagrams of PG-TRIS, PG-AMPL, PG-NPG, TRIS-AMPL, TRIS-NPG, and AMPL-NPG are optimized with CALPHAD method in Thermo-Calc software based on available experimental results, in which the substitutional model is used and excess Gibbs energy is expressed with Redlich-Kister formalism. The

  11. The QCD Phase Diagram: Large Nc, Quarkyonic Matter and the Triple Point

    International Nuclear Information System (INIS)

    McLerran, L.

    2010-01-01

    I discuss the phase diagram of QCD in the large N c limit. Qarkyonic Matter is described. The properties of QCD matter as measured in the abundance of produced particles are shown to be consistent with this phase diagram. A possible triple point of Hadronic Matter, Deconfined Matter and Quarkyonic Matter is shown to explain various behaviors of ratios of particle abundances seen in CERN fixed target experiments. (author)

  12. PHASE DIAGRAM OF GELATINE-POLYURONATE COLLOIDS: ITS APPLICATION FOR MICROENCAPSULATION AND NOT ONLY

    Directory of Open Access Journals (Sweden)

    Alexei Baerle

    2016-06-01

    Full Text Available Phase state and the charge of colloidal particles in the gelatine-polyuronate system were studied. A method for comparative evaluation of molecular weight of colloids by means of viscosimetric measurements and electrophoresis was developed. It is shown that the Diagram {Phase state = f (composition, pH} contains six well-defined regions. The diagram explains and predicts the behaviour of protein-polysaccharide colloids, which are included in beverages or forms the shells of oil-containing microcapsules.

  13. Prediction of Continuous Cooling Transformation Diagrams for Dual-Phase Steels from the Intercritical Region

    Science.gov (United States)

    Colla, V.; Desanctis, M.; Dimatteo, A.; Lovicu, G.; Valentini, R.

    2011-09-01

    The purpose of the present work is the implementation and validation of a model able to predict the microstructure changes and the mechanical properties in the modern high-strength dual-phase steels after the continuous annealing process line (CAPL) and galvanizing (Galv) process. Experimental continuous cooling transformation (CCT) diagrams for 13 differently alloying dual-phase steels were measured by dilatometry from the intercritical range and were used to tune the parameters of the microstructural prediction module of the model. Mechanical properties and microstructural features were measured for more than 400 dual-phase steels simulating the CAPL and Galv industrial process, and the results were used to construct the mechanical model that predicts mechanical properties from microstructural features, chemistry, and process parameters. The model was validated and proved its efficiency in reproducing the transformation kinetic and mechanical properties of dual-phase steels produced by typical industrial process. Although it is limited to the dual-phase grades and chemical compositions explored, this model will constitute a useful tool for the steel industry.

  14. Attractive emulsion droplets probe the phase diagram of jammed granular matter.

    Science.gov (United States)

    Jorjadze, Ivane; Pontani, Lea-Laetitia; Newhall, Katherine A; Brujic, Jasna

    2011-03-15

    It remains an open question whether statistical mechanics approaches apply to random packings of athermal particles. Although a jamming phase diagram has recently been proposed for hard spheres with varying friction, here we use a frictionless emulsion system in the presence of depletion forces to sample the available phase space of packing configurations. Using confocal microscopy, we access their packing microstructure and test the theoretical assumptions. As a function of attraction, our packing protocol under gravity leads to well-defined jammed structures in which global density initially increases above random close packing and subsequently decreases monotonically. Microscopically, the fluctuations in parameters describing each particle, such as the coordination number, number of neighbors, and local packing fraction, are for all attractions in excellent agreement with a local stochastic model, indicating that long-range correlations are not important. Furthermore, the distributions of local cell volumes can be collapsed onto a universal curve using the predicted k-gamma distribution, in which the shape parameter k is fixed by the polydispersity while the effect of attraction is captured by rescaling the average cell volume. Within the Edwards statistical mechanics framework, this result measures the decrease in compactivity with global density, which represents a direct experimental test of a jamming phase diagram in athermal systems. The success of these theoretical tools in describing yet another class of materials gives support to the much-debated statistical physics of jammed granular matter.

  15. A non-classical phase diagram for virus-bacterial co-evolution mediated by CRISPR

    Science.gov (United States)

    Han, Pu; Deem, Michael

    CRISPR is a newly discovered prokaryotic immune system. Bacteria and archaea with this system incorporate genetic material from invading viruses into their genomes, providing protection against future infection by similar viruses. Due to the cost of CRISPR, bacteria can lose the acquired immunity. We will show an intriguing phase diagram of the virus extinction probability, which when the rate of losing the acquired immunity is small, is more complex than that of the classic predator-prey model. As the CRISPR incorporates genetic material, viruses are under pressure to evolve to escape the recognition by CRISPR, and this co-evolution leads to a non-trivial phase structure that cannot be explained by the classical predator-prey model.

  16. Phase diagram of the Ge-rich of the Ba–Ge system and characterisation of single-phase BaGe{sub 4}

    Energy Technology Data Exchange (ETDEWEB)

    Prokofieva, Violetta K.; Pavlova, Lydia M., E-mail: fhim@mail.ru

    2014-06-25

    Highlights: • The Ba-Ge phase diagram for the range 50–100 at.% Ge was constructed. • Single-phase BaGe{sub 4} grown by the Czochralski method was characterised. • A phenomenological model for a liquid-liquid phase transition is proposed. - Abstract: The Ba–Ge binary system has been investigated by several authors, but some uncertainties remain regarding phases with Ba/Ge ⩽ 2. The goal of this work was to resolve the uncertainty about the current phase diagram of Ba–Ge by performing DTA, X-ray powder diffraction, metallographic and chemical analyses, and measurements of the electrical conductivity and viscosity. The experimental Ba–Ge phase diagram over the composition range of 50–100 at.% Ge was constructed from the cooling curves and single-phase BaGe{sub 4} grown by the Czochralski crystal pulling method was characterised. Semiconducting BaGe{sub 4} crystallised peritectically from the liquid phase near the eutectic. In the liquid state, the caloric effects were observed in the DTA curves at 1050 °C where there are no definite phase lines in the Ba–Ge phase diagram. These effects are confirmed by significant changes in the viscosity and electrical conductivity of a Ba–Ge alloy with eutectic composition at this temperature. A phenomenological model based on two different approaches, a phase approach and a chemical approach, is proposed to explain the isothermal liquid–liquid phase transition observed in the Ba–Ge system from the Ge side. Our results suggest that this transition is due to the peritectic reactions in the liquid phase. This reversible phase transition results in the formation of precursors of various metastable clathrate phases and is associated with sudden changes in the structure of Ba–Ge liquid alloys. Characteristics of both first- and second-order phase transitions are observed. Charge transfer appears to play an important role in this transition.

  17. Nitrogen-hydrogen-oxygen ternary phase diagram: New phases at high pressure from structural prediction

    Science.gov (United States)

    Shi, Jingming; Cui, Wenwen; Botti, Silvana; Marques, Miguel A. L.

    2018-02-01

    Using an ab initio evolutionary structural search, we predict two novel crystalline phases in the H-N-O ternary phase diagram at high pressure, namely, NOH4 and HNO3 (nitric acid). Our calculations show that the C 2 /m phase of NOH4 becomes stable at 71 GPa, while the P 21/m phase of HNO3 stabilizes at 39 GPa. Both phases remain thermodynamically stable at least up to 150 GPa, the maximum pressure we considered. The C 2 /m phase of NOH4 contains two O-H layers and one dumbbell cluster layer, formed by two NH3 molecules linked by a N-N covalent bond. The P 21/m phase of HNO3 contains a surprising quasiclover layer formed of H-N-O covalent bonds. Further calculations show that both phases are semiconducting, with band gaps of 6.0 and 2.6 eV for NOH4 and NHO3, respectively. Our calculations also confirm that the compound NOH5(NH3H2O ) becomes unstable at pressures above 122 GPa, decomposing into NH3 and H2O .

  18. Phase diagrams of a nonequilibrium mixed spin-3/2 and spin-2 Ising system in an oscillating magnetic field

    International Nuclear Information System (INIS)

    Keskin, Mustafa; Polat, Yasin

    2009-01-01

    The phase diagrams of the nonequilibrium mixed spin-3/2 and spin-2 Ising ferrimagnetic system on square lattice under a time-dependent external magnetic field are presented by using the Glauber-type stochastic dynamics. The model system consists of two interpenetrating sublattices of spins σ=3/2 and S=2, and we take only nearest-neighbor interactions between pairs of spins. The system is in contact with a heat bath at absolute temperature T abs and the exchange of energy with the heat bath occurs via one-spin flip of the Glauber dynamics. First, we investigate the time variations of average order parameters to find the phases in the system and then the thermal behavior of the dynamic order parameters to obtain the dynamic phase transition (DPT) points as well as to characterize the nature (first- or second-order) phase transitions. The dynamic phase diagrams are presented in two different planes. Phase diagrams contain paramagnetic (p), ferrimagnetic (i 1 , i 2 , i 3 ) phases, and three coexistence or mixed phase regions, namely i 1 +p, i 2 +p and i 3 +p mixed phases that strongly depend on interaction parameters.

  19. Phase diagrams of a nonequilibrium mixed spin-3/2 and spin-2 Ising system in an oscillating magnetic field

    Energy Technology Data Exchange (ETDEWEB)

    Keskin, Mustafa [Department of Physics, Erciyes University, 38039 Kayseri (Turkey)], E-mail: keskin@erciyes.edu.tr; Polat, Yasin [Institutes of Science, Erciyes University, 38039 Kayseri (Turkey)

    2009-12-15

    The phase diagrams of the nonequilibrium mixed spin-3/2 and spin-2 Ising ferrimagnetic system on square lattice under a time-dependent external magnetic field are presented by using the Glauber-type stochastic dynamics. The model system consists of two interpenetrating sublattices of spins {sigma}=3/2 and S=2, and we take only nearest-neighbor interactions between pairs of spins. The system is in contact with a heat bath at absolute temperature T{sub abs} and the exchange of energy with the heat bath occurs via one-spin flip of the Glauber dynamics. First, we investigate the time variations of average order parameters to find the phases in the system and then the thermal behavior of the dynamic order parameters to obtain the dynamic phase transition (DPT) points as well as to characterize the nature (first- or second-order) phase transitions. The dynamic phase diagrams are presented in two different planes. Phase diagrams contain paramagnetic (p), ferrimagnetic (i{sub 1}, i{sub 2}, i{sub 3}) phases, and three coexistence or mixed phase regions, namely i{sub 1}+p, i{sub 2}+p and i{sub 3}+p mixed phases that strongly depend on interaction parameters.

  20. Phase diagram of boron carbide with variable carbon composition

    Science.gov (United States)

    Yao, Sanxi; Gao, Qin; Widom, Michael

    2017-02-01

    Boron carbide exhibits intrinsic substitutional disorder over a broad composition range. The structure consists of 12-atom icosahedra placed at the vertices of a rhombohedral lattice, together with a 3-atom chain along the threefold axis. In the high-carbon limit, one or two carbon atoms can replace boron atoms on the icosahedra while the chains are primarily of type C-B-C. We fit an interatomic pair interaction model to density-functional-theory total energies to investigate the substitutional carbon disorder. Monte Carlo simulations with sampling improved by replica exchange and augmented by two-dimensional multiple histogram analysis predict three phases. The low-temperature, high-carbon-composition monoclinic C m structure disorders through a pair of phase transitions, first via an Ising-like transition to a monoclinic centrosymmetric state with space group C 2 /m , then via a first-order three-state Potts-like transition to the experimentally observed rhombohedral R 3 ¯m symmetry.

  1. Novel phase diagram behavior and materials design in heterostructural semiconductor alloys

    Science.gov (United States)

    Holder, Aaron M.; Siol, Sebastian; Ndione, Paul F.; Peng, Haowei; Deml, Ann M.; Matthews, Bethany E.; Schelhas, Laura T.; Toney, Michael F.; Gordon, Roy G.; Tumas, William; Perkins, John D.; Ginley, David S.; Gorman, Brian P.; Tate, Janet; Zakutayev, Andriy; Lany, Stephan

    2017-01-01

    Structure and composition control the behavior of materials. Isostructural alloying is historically an extremely successful approach for tuning materials properties, but it is often limited by binodal and spinodal decomposition, which correspond to the thermodynamic solubility limit and the stability against composition fluctuations, respectively. We show that heterostructural alloys can exhibit a markedly increased range of metastable alloy compositions between the binodal and spinodal lines, thereby opening up a vast phase space for novel homogeneous single-phase alloys. We distinguish two types of heterostructural alloys, that is, those between commensurate and incommensurate phases. Because of the structural transition around the critical composition, the properties change in a highly nonlinear or even discontinuous fashion, providing a mechanism for materials design that does not exist in conventional isostructural alloys. The novel phase diagram behavior follows from standard alloy models using mixing enthalpies from first-principles calculations. Thin-film deposition demonstrates the viability of the synthesis of these metastable single-phase domains and validates the computationally predicted phase separation mechanism above the upper temperature bound of the nonequilibrium single-phase region. PMID:28630928

  2. Novel phase diagram behavior and materials design in heterostructural semiconductor alloys.

    Science.gov (United States)

    Holder, Aaron M; Siol, Sebastian; Ndione, Paul F; Peng, Haowei; Deml, Ann M; Matthews, Bethany E; Schelhas, Laura T; Toney, Michael F; Gordon, Roy G; Tumas, William; Perkins, John D; Ginley, David S; Gorman, Brian P; Tate, Janet; Zakutayev, Andriy; Lany, Stephan

    2017-06-01

    Structure and composition control the behavior of materials. Isostructural alloying is historically an extremely successful approach for tuning materials properties, but it is often limited by binodal and spinodal decomposition, which correspond to the thermodynamic solubility limit and the stability against composition fluctuations, respectively. We show that heterostructural alloys can exhibit a markedly increased range of metastable alloy compositions between the binodal and spinodal lines, thereby opening up a vast phase space for novel homogeneous single-phase alloys. We distinguish two types of heterostructural alloys, that is, those between commensurate and incommensurate phases. Because of the structural transition around the critical composition, the properties change in a highly nonlinear or even discontinuous fashion, providing a mechanism for materials design that does not exist in conventional isostructural alloys. The novel phase diagram behavior follows from standard alloy models using mixing enthalpies from first-principles calculations. Thin-film deposition demonstrates the viability of the synthesis of these metastable single-phase domains and validates the computationally predicted phase separation mechanism above the upper temperature bound of the nonequilibrium single-phase region.

  3. Approximate Solutions of Interactive Dynamic Influence Diagrams Using Model Clustering

    DEFF Research Database (Denmark)

    Zeng, Yifeng; Doshi, Prashant; Qiongyu, Cheng

    2007-01-01

    Interactive dynamic influence diagrams (I-DIDs) offer a transparent and semantically clear representation for the sequential decision-making problem over multiple time steps in the presence of other interacting agents. Solving I-DIDs exactly involves knowing the solutions of possible models...

  4. Density Functional Study of the Phase Diagram and Pressure-Induced Superconductivity in P: Implication for Spintronics

    Science.gov (United States)

    Ostanin, S.; Trubitsin, V.; Staunton, J. B.; Savrasov, S. Y.

    2003-08-01

    The high-pressure phase diagram of P is studied using density functional total energy, linear response lattice dynamics and model Debye-Grüneisen theories. The volume dependent electron-phonon coupling λ˜0.7 0.9 is extracted for the bcc structure and found to increase with increasing volume. We propose that this phase might be realized in epitaxial thin films using templates such as V(100), Fe(100), or Cr(100) relevant to spintronics applications.

  5. The phase diagram and transport properties of MgO from theory and experiment

    Science.gov (United States)

    Shulenburger, Luke

    2013-06-01

    Planetary structure and the formation of terrestrial planets have received tremendous interest due to the discovery of so called super-earth exoplanets. MgO is a major constituent of Earth's mantle, the rocky cores of gas giants and is a likely component of the interiors of many of these exoplanets. The high pressure - high temperature behavior of MgO directly affects equation of state models for planetary structure and formation. In this work, we examine MgO under extreme conditions using experimental and theoretical methods to determine its phase diagram and transport properties. Using plate impact experiments on Sandia's Z facility the solid-solid phase transition from B1 to B2 is clearly determined. The melting transition, on the other hand, is subtle, involving little to no signal in us-up space. Theoretical work utilizing density functional theory (DFT) provides a complementary picture of the phase diagram. The solid-solid phase transition is identified through a series of quasi-harmonic phonon calculations and thermodynamic integration, while the melt boundary is found using phase coexistence calculations. One issue of particular import is the calculation of reflectivity along the Hugoniot and the influence of the ionic structure on the transport properties. Particular care is necessary because of the underestimation of the band gap and attendant overestimation of transport properties due to the use of semi-local density functional theory. We will explore the impact of this theoretical challenge and its potential solutions in this talk. The integrated use of DFT simulations and high-accuracy shock experiments together provide a comprehensive understanding of MgO under extreme conditions. Sandia National Laboratories is a multi-program laboratory managed and operated by Sandia Corporation, a wholly owned subsidiary of Lockheed Martin Company, for the U.S. DOE's National Nuclear Security Administration under contract DE-AC04-94AL85000.

  6. Optimization of the thermodynamic properties and phase diagrams of P2O5-containing systems

    Science.gov (United States)

    Hudon, Pierre; Jung, In-Ho

    2014-05-01

    P2O5 is an important oxide component in the late stage products of numerous igneous rocks such as granites and pegmatites. Typically, P2O5 combines with CaO and crystallizes in the form of apatite, while in volatile-free conditions, Ca-whitlockite is formed. In spite of their interest, the thermodynamic properties and phase diagrams of P2O5-containg systems are not well known yet. In the case of the pure P2O5 for example, no experimental thermodynamic data are available for the liquid and the O and O' solid phases. As a result, we re-evaluated all the thermodynamic and phase diagram data of the P2O5 unary system [1]. Optimization of the thermodynamic properties and phase diagrams of the binary P2O5 systems was then performed including the Li2O-, Na2O-, MgO-, CaO-, BaO-, MnO-, FeO-, Fe2O3-, ZnO-, Al2O3-, and SiO2-P2O5 [2] systems. All available thermodynamic and phase equilibrium data were simultaneously reproduced in order to obtain a set of model equations for the Gibbs energies of all phases as functions of temperature and composition. In particular, the Gibbs energy of the liquid solution was described using the Modified Quasichemical Model [3-5] implemented in the FactSage software [6]. Thermodynamic modeling of the Li2O-Na2O-K2O-MgO-CaO-FeO-Fe2O3-Al2O3-SiO2 system, which include many granite-forming minerals such as nepheline, leucite, pyroxene, melilite, feldspar and spinel is currently in progress. [1] Jung, I.-H., Hudon, P. (2012) Thermodynamic assessment of P2O5. J. Am. Ceram. Soc., 95 (11), 3665-3672. [2] Rahman, M., Hudon, P. and Jung, I.-H. (2013) A coupled experimental study and thermodynamic modeling of the SiO2-P2O5 system. Metall. Mater. Trans. B, 44 (4), 837-852. [3] Pelton, A.D. and Blander, M. (1984) Computer-assisted analysis of the thermodynamic properties and phase diagrams of slags. Proc. AIME Symp. Metall. Slags Fluxes, TMS-AIME, 281-294. [4] Pelton, A.D. and Blander, M. (1986) Thermodynamic analysis of ordered liquid solutions by a modified

  7. Phase diagram of Fe{sub 1-x}Co{sub x} ultrathin film

    Energy Technology Data Exchange (ETDEWEB)

    Fridman, Yu.A. [V.I. Vernadskiy Taurida National University, Vernadskiy Avenue 4, Simferopol, Crimea 95007 (Ukraine)], E-mail: frid@tnu.crimea.ua; Klevets, Ph.N.; Voytenko, A.P. [V.I. Vernadskiy Taurida National University, Vernadskiy Avenue 4, Simferopol, Crimea 95007 (Ukraine)

    2008-12-15

    Concentration-driven reorientation phase transitions in ultrathin magnetic films of FeCo alloy have been studied. It is established that, in addition to the easy-axis and easy-plane phases, a spatially inhomogeneous phase (domain structure), a canted phase, and also an 'in-plane easy-axis' phase can exist in the system. The realization of the last phase is associated with the competition between the single-ion anisotropy and the magnetoelastic interaction. The critical values of Co concentration corresponding to the phase transitions are evaluated, the types of phase transitions are determined, and the phase diagrams are constructed.

  8. Holographic QCD phase diagram with critical point from Einstein-Maxwell-dilaton dynamics

    Science.gov (United States)

    Knaute, J.; Yaresko, R.; Kämpfer, B.

    2018-03-01

    Supplementing the holographic Einstein-Maxwell-dilaton model of [1,2] by input of lattice QCD data for 2 + 1 flavors and physical quark masses for the equation of state and quark number susceptibility at zero baryo-chemical potential we explore the resulting phase diagram over the temperature-chemical potential plane. A first-order phase transition sets in at a temperature of about 112 MeV and a baryo-chemical potential of 612 MeV. We estimate the accuracy of the critical point position in the order of approximately 5-8% by considering parameter variations and different low-temperature asymptotics for the second-order quark number susceptibility. The critical pressure as a function of the temperature has a positive slope, i.e. the entropy per baryon jumps up when crossing the phase border line from larger values of temperature/baryo-chemical potential, thus classifying the phase transition as a gas-liquid one. The updated holographic model exhibits in- and outgoing isentropes in the vicinity of the first-order phase transition.

  9. The pressure-temperature phase diagram of MgH₂ and isotopic substitution.

    Science.gov (United States)

    Moser, D; Baldissin, G; Bull, D J; Riley, D J; Morrison, I; Ross, D K; Oates, W A; Noréus, D

    2011-08-03

    Computational thermodynamics using density functional theory ab initio codes is a powerful tool for calculating phase diagrams. The method is usually applied at the standard pressure of p = 1 bar and where the Gibbs energy is assumed to be equal to the Helmholtz energy. In this work, we have calculated the Gibbs energy in order to study the release temperature and phase modifications of MgH(2) at high pressures up to 10 GPa (100 kbar). The isotopic substitution of hydrogen with deuterium (or tritium) does not bring about any strong effects on the phase diagram. These considerations are of extreme importance for (i) the synthesis of novel substitutional magnesium based materials at high pressure and (ii) the determination of the correct reference states for the calculation of phase diagrams at high pressure. The calculated results are compared with experimental data obtained with an in situ neutron diffraction measurement.

  10. Green material composites from renewable resources: Polymorphic transitions and phase diagram of beeswax/rosin resin

    Energy Technology Data Exchange (ETDEWEB)

    Gaillard, Yves [Mines-ParisTech., CEMEF, UMR CNRS 7635, 1 rue Claude Daunesse 06904 Sophia Antipolis cedex (France); Mija, Alice [University of Nice-Sophia Antipolis, Thermokinetic Group, Laboratory of Chemistry of Organic and Metallic Materials C.M.O.M., 06108 Nice Cedex 2 (France); Burr, Alain; Darque-Ceretti, Evelyne; Felder, Eric [Mines-ParisTech., CEMEF, UMR CNRS 7635, 1 rue Claude Daunesse 06904 Sophia Antipolis cedex (France); Sbirrazzuoli, Nicolas, E-mail: sbirrazz@unice.fr [University of Nice-Sophia Antipolis, Thermokinetic Group, Laboratory of Chemistry of Organic and Metallic Materials C.M.O.M., 06108 Nice Cedex 2 (France)

    2011-07-10

    Highlights: {yields} Blends of Rosin and beeswax are studied by DSC, XRD, and optical microscopy. {yields} The first phase diagram beeswax/rosin is established. {yields} Polymorphic transitions are identified and appear to be highly related to rosin content. - Abstract: Rosin and beeswax are two complex natural materials presenting numerous applications in paints, adhesives, varnishes or inks. Melted, they are particularly interesting for their adhesion properties. This paper establishes the first phase diagram beeswax/rosin blends. A systematic approach using X-ray diffraction (XRD), differential scanning calorimetry (DSC) and polarised optical microscopy (POM) has been performed in order to describe the crystallographic structure and the thermal properties of two materials, beeswax and rosin, and their blends. Indeed, melting, softening and crystallisation temperatures, polymorphic transitions but also crystalline index has been investigated. The resulting phase diagram reveals a complex behaviour in terms of phase transformation and time-dependent phenomenon mainly representative of the complex composition of beeswax.

  11. Conductivity, calorimetry and phase diagram of the NaHSO4–KHSO4 system

    DEFF Research Database (Denmark)

    Hind, Hamma-Cugny; Rasmussen, Søren Birk; Rogez, J.

    2006-01-01

    to polynomials of the form κ(X)=A(X)+B(X)(T-Tm)+C(X)(T-Tm)2, where Tm is the intermediate temperature of the measured temperature range and X, the mole fraction of KHSO4. The possible role of this binary system as a catalyst solvent is also discussed. (C) 2005 Elsevier B.V. All rights reserved.......Physico-chemical properties of the binary system NaHSO4-KHSO4 were studied by calorimetry and conductivity, The enthalpy of mixing has been measured at 505 K in the full composition range and the phase diagram calculated. The phase diagram has also been constructed from phase transition...

  12. Phase diagrams of shape-anisotropic colloidal particles

    NARCIS (Netherlands)

    Dijkstra, M.

    2013-01-01

    In order to predict the equilibrium phase behaviour of colloidal particles, one should first identify the “candidate” structures in which the particles may assemble. Subsequently, the free energy of the candidate structures should be determined to establish the thermodynamically stable phases and to

  13. Existence of the phase drainage diagram in proton exchange membrane fuel cell fibrous diffusion media

    Science.gov (United States)

    Medici, E. F.; Allen, J. S.

    It is well established that drainage in porous media can be characterized by two nondimensional numbers: the capillary number, Ca, and the viscosity ratio, M. Both quantities are useful to distinguish which force (viscous or capillary) is governing the fluid displacement behavior. This information is summarized in the Ca- M phase diagram. The Ca- M phase diagram is strongly dependent upon fluid properties and the porous medium morphology and wettability. Experimental evidence suggests that the morphology of the porous medium has an important role in the behavior in the fluid displacement. In this work, Ca- M phase diagram of fuel cell diffusion media layer (DM) is explored using a pseudo-Hele-Shaw experimental setup. This phase diagram will be explored together with the characteristic pressure curves of each displacement type. This Ca- M phase diagram will provide a fundamental resource for understanding the dynamics of the diffusion process and transport characteristics taking place inside of the DM as well as a characterization method for DMs.

  14. Existence of the phase drainage diagram in proton exchange membrane fuel cell fibrous diffusion media

    Energy Technology Data Exchange (ETDEWEB)

    Medici, E.F.; Allen, J.S. [Dept. of Mechanical Engineering - Engineering Mechanics, Michigan Technological University, Houghton, MI, 49931 (United States)

    2009-06-15

    It is well established that drainage in porous media can be characterized by two nondimensional numbers: the capillary number, Ca, and the viscosity ratio, M. Both quantities are useful to distinguish which force (viscous or capillary) is governing the fluid displacement behavior. This information is summarized in the Ca-M phase diagram. The Ca-M phase diagram is strongly dependent upon fluid properties and the porous medium morphology and wettability. Experimental evidence suggests that the morphology of the porous medium has an important role in the behavior in the fluid displacement. In this work, Ca-M phase diagram of fuel cell diffusion media layer (DM) is explored using a pseudo-Hele-Shaw experimental setup. This phase diagram will be explored together with the characteristic pressure curves of each displacement type. This Ca-M phase diagram will provide a fundamental resource for understanding the dynamics of the diffusion process and transport characteristics taking place inside of the DM as well as a characterization method for DMs. (author)

  15. The phase diagram of scalar field theory on the fuzzy disc

    Energy Technology Data Exchange (ETDEWEB)

    Rea, Simone; Sämann, Christian [Maxwell Institute for Mathematical Sciences, Department of Mathematics,Heriot-Watt University,Colin Maclaurin Building, Riccarton, Edinburgh EH14 4AS (United Kingdom)

    2015-11-17

    Using a recently developed bootstrapping method, we compute the phase diagram of scalar field theory on the fuzzy disc with quartic even potential. We find three distinct phases with second and third order phase transitions between them. In particular, we find that the second order phase transition happens approximately at a fixed ratio of the two coupling constants defining the potential. We compute this ratio analytically in the limit of large coupling constants. Our results qualitatively agree with previously obtained numerical results.

  16. Vortex phase diagram studies in the weakly pinned single crystals of ...

    Indian Academy of Sciences (India)

    The magnetisation hysteresis loops and the AC susceptibility measurements show pronounced peak effect as well as second magnetisation peak anomaly for both YNi2B2C and LuNi2B2C. Based on these results, a vortex phase diagram has been constructed for YNi2B2C for H ‖ c depicting different glassy phases of the ...

  17. The phase diagram of annealed Ge(111)/Ga

    DEFF Research Database (Denmark)

    Molinàs-Mata, P.; Böhringer, M.; Artacho, E.

    1995-01-01

    A study of the annealed phases of Ge(111)/Ga for coverages above 0.05 ML is presented. The surfaces are investigated by low-energy electron diffraction, scanning tunneling microscopy, and partly by photoemission and surface X-ray diffraction using synchrotron radiation. For Ga coverages beyond 0.......05 ML and up to about 2 ML and annealing temperatures higher than 500 degrees C four different phases appear. They all can be characterized as being discommensurate. Surprisingly, no commensurate superstructure appears on annealed Ge(111)/Ga....

  18. Magnetic phase diagram of magnetoelectric LiMnPO4

    DEFF Research Database (Denmark)

    Toft-Petersen, Rasmus; Andersen, Niels Hessel; Li, Haifeng

    2012-01-01

    The nature of the spin-flop (SF) transition in the magnetoelectric quasi-2D Heisenberg system LiMnPO4 is studied in fields applied along the a axis. A refinement of the magnetic structure using neutron diffraction data in the SF phase reveals that the spins reorient from being parallel...

  19. Analytical phase diagrams for colloids and non-adsorbing polymer

    NARCIS (Netherlands)

    Fleer, G.J.; Tuinier, R.

    2008-01-01

    We review the free-volume theory (FVT) of Lekkerkerker et al. [Europhys. Lett. 20 (1992) 5591 for the phase behavior of colloids in the presence of non-adsorbing polymer and we extend this theory in several aspects: (i) We take the solvent into account as a separate component and show that the

  20. Experimental study of the Ag-Sn-In phase diagram

    International Nuclear Information System (INIS)

    Vassilev, Gueorgui P.; Dobrev, Evgueni S.; Tedenac, Jean-Claude

    2005-01-01

    Combined metallographic, differential scanning calorimetry, X-ray and scanning electron microscopy studies have been performed using 27 ternary alloys. The microhardness of the α(Ag), ε(Ag 3 Sn) and ζ(Ag 4 Sn,Ag 3 In) phases has been measured. The ternary extension of the phase φ(Ag x In y Sn z , where x ∼ 0.36, y ∼ 0.61, z ∼ 0.03) has been revealed in some specimens, although the binary compound (AgIn 2 ) melts at 166 deg. C. This finding is attributed to the limited cooling rate. The solubility ranges of the solid solution and the intermetallic phases have been determined. The tin and the indium show approximately equal mutual solubility (around 2 at.%) in the ternary extensions of their Ag-Sn or Ag-In phases. The experimental data have been compared with a calculated isothermal section at 280 deg. C and with a vertical section at 2.5 at.% Ag. The thermal analyses have confirmed, in general, the temperatures of the invariant reactions in the Ag-Sn-In system as calculated by literature data

  1. Phase diagram of the adhesive hard sphere fluid

    NARCIS (Netherlands)

    Miller, M.A.; Frenkel, D.

    2004-01-01

    The phase behavior of the Baxter adhesive hard sphere fluid has been determined using specialized Monte Carlo simulations. We give a detailed account of the techniques used and present data for the fluid–fluid coexistence curve as well as parametrized fits for the supercritical equation of state and

  2. First-Order Transitions and the Magnetic Phase Diagram of CeSb

    DEFF Research Database (Denmark)

    Lebech, Bente; Clausen, Kurt Nørgaard; Vogt, O.

    1980-01-01

    might exist in the magnetic phase diagram of CeSb at 16K for a field of approximately 0.3 T. The present study concludes that the transitions from the paramagnetic to the magnetically ordered states are of first order for fields below 0.8 T. Within the experimental accuracy no change has been observed......The high-temperature (14-17K) low-magnetic field (0-0.8 T) region of the phase diagram of the anomalous antiferromagnet CeSb has been reinvestigated by neutron diffraction in an attempt to locate a possible tricritical point. Previous neutron diffraction studies indicated that a tricritical point...

  3. Dynamical phase diagram of quantum spin chains with long-range interactions

    Science.gov (United States)

    Halimeh, Jad C.; Zauner-Stauber, Valentin

    2017-10-01

    Using an infinite matrix product state (iMPS) technique based on the time-dependent variational principle (TDVP), we study two major types of dynamical phase transitions (DPT) in the one-dimensional transverse-field Ising model (TFIM) with long-range power-law (∝1 /rα with r interspin distance) interactions out of equilibrium in the thermodynamic limit—DPT-I: based on an order parameter in a (quasi-)steady state, and DPT-II: based on nonanalyticities (cusps) in the Loschmidt-echo return rate. We construct the corresponding rich dynamical phase diagram, while considering different quench initial conditions. We find a nontrivial connection between both types of DPT based on their critical lines. Moreover, and very interestingly, we detect a new DPT-II dynamical phase in a certain range of interaction exponent α , characterized by what we call anomalous cusps that are distinct from the regular cusps usually associated with DPT-II. Our results provide the characterization of experimentally accessible signatures of the dynamical phases studied in this work.

  4. Moving heavy quarkonium entropy, effective string tension, and the QCD phase diagram

    Science.gov (United States)

    Chen, Xun; Feng, Sheng-Qin; Shi, Ya-Fei; Zhong, Yang

    2018-03-01

    The entropy and effective string tension of the moving heavy quark-antiquark pair in the strongly coupled plasmas are calculated by using a deformed an anti-de Sitter/Reissner-Nordström black hole metric. A sharp peak of the heavy-quarkonium entropy around the deconfinement transition can be realized in our model, which is consistent with the lattice QCD result. The effective string tension of the heavy quark-antiquark pair is related to the deconfinement phase transition. Thus, we investigate the deconfinement phase transition by analyzing the characteristics of the effective string tension with different temperatures, chemical potentials, and rapidities. It is found that the results of phase diagram calculated through effective string tension are in agreement with results calculated through a Polyakov loop. We argue that a moving system will reach the phase transition point at a lower temperature and chemical potential than a stationary system. It means that the lifetime of the moving quark-gluon plasma become longer than the static one.

  5. Phase Diagram of Kob-Andersen-Type Binary Lennard-Jones Mixtures

    Science.gov (United States)

    Pedersen, Ulf R.; Schrøder, Thomas B.; Dyre, Jeppe C.

    2018-04-01

    The binary Kob-Andersen (KA) Lennard-Jones mixture is the standard model for computational studies of viscous liquids and the glass transition. For very long simulations, the viscous KA system crystallizes, however, by phase separating into a pure A particle phase forming a fcc crystal. We present the thermodynamic phase diagram for KA-type mixtures consisting of up to 50% small (B ) particles showing, in particular, that the melting temperature of the standard KA system at liquid density 1.2 is 1.028(3) in A particle Lennard-Jones units. At large B particle concentrations, the system crystallizes into the CsCl crystal structure. The eutectic corresponding to the fcc and CsCl structures is cutoff in a narrow interval of B particle concentrations around 26% at which the bipyramidal orthorhombic PuBr3 structure is the thermodynamically stable phase. The melting temperature's variation with B particle concentration at two constant pressures, as well as at the constant density 1.2, is estimated from simulations at pressure 10.19 using isomorph theory. Our data demonstrate approximate identity between the melting temperature and the onset temperature below which viscous dynamics appears. Finally, the nature of the solid-liquid interface is briefly discussed.

  6. T-p phase diagrams and the barocaloric effect in materials with successive phase transitions

    Science.gov (United States)

    Gorev, M. V.; Bogdanov, E. V.; Flerov, I. N.

    2017-09-01

    An analysis of the extensive and intensive barocaloric effect (BCE) at successive structural phase transitions in some complex fluorides and oxyfluorides was performed. The high sensitivity of these compounds to a change in the chemical pressure allows one to vary the succession and parameters of the transformations (temperature, entropy, baric coefficient) over a wide range and obtain optimal values of the BCE. A comparison of different types of schematic T-p phase diagrams with the complicated T( p) dependences observed experimentally shows that in some ranges of temperature and pressure the BCE in compounds undergoing successive transformations can be increased due to a summation of caloric effects associated with distinct phase transitions. The maximum values of the extensive and intensive BCE in complex fluorides and oxyfluorides can be realized at rather low pressure (0.1-0.3 GPa). In a narrow temperature range around the triple points conversion from conventional BCE to inverse BCE is observed, which is followed by a gigantic change of both \\vertΔ S_BCE\\vert and \\vertΔ T_AD\\vert .

  7. Universal phase diagram for high-piezoelectric perovskite systems

    NARCIS (Netherlands)

    Cox, D.E.; Noheda, B.; Shirane, G.; Uesu, Y.; Fujishiro, K.; Yamada, Y.

    2001-01-01

    Strong piezoelectricity in perovskite-type PbZn1-xTixO3 (PZT) and Pb(Zn1/3Nb2/3)O3–PbTiO3 (PZN–PT) systems is generally associated with the existence of a morphotropic phase boundary (MPB) separating regions with rhombohedral and tetragonal symmetry. An x-ray study of PZN–9% PT has revealed the

  8. A new model of Ishikawa diagram for quality assessment

    Science.gov (United States)

    Liliana, Luca

    2016-11-01

    The paper presents the results of a study concerning the use of the Ishikawa diagram in analyzing the causes that determine errors in the evaluation of theparts precision in the machine construction field. The studied problem was"errors in the evaluation of partsprecision” and this constitutes the head of the Ishikawa diagram skeleton.All the possible, main and secondary causes that could generate the studied problem were identified. The most known Ishikawa models are 4M, 5M, 6M, the initials being in order: materials, methods, man, machines, mother nature, measurement. The paper shows the potential causes of the studied problem, which were firstly grouped in three categories, as follows: causes that lead to errors in assessing the dimensional accuracy, causes that determine errors in the evaluation of shape and position abnormalities and causes for errors in roughness evaluation. We took into account the main components of parts precision in the machine construction field. For each of the three categories of causes there were distributed potential secondary causes on groups of M (man, methods, machines, materials, environment/ medio ambiente-sp.). We opted for a new model of Ishikawa diagram, resulting from the composition of three fish skeletons corresponding to the main categories of parts accuracy.

  9. Phase diagram for the Eigen quasispecies theory with a truncated fitness landscape.

    Science.gov (United States)

    Saakian, David B; Biebricher, Christof K; Hu, Chin-Kun

    2009-04-01

    Using methods of statistical physics, we present rigorous theoretical calculations of Eigen's quasispecies theory with the truncated fitness landscape which dramatically limits the available sequence space of information carriers. As the mutation rate is increased from small values to large values, one can observe three phases: the first (I) selective (also known as ferromagnetic) phase, the second (II) intermediate phase with some residual order, and the third (III) completely randomized (also known as paramagnetic) phase. We calculate the phase diagram for these phases and the concentration of information carriers in the master sequence (also known as peak configuration) x0 and other classes of information carriers. As the phase point moves across the boundary between phase I and phase II, x0 changes continuously; as the phase point moves across the boundary between phase II and phase III, x0 has a large change. Our results are applicable for the general case of a fitness landscape.

  10. Phase diagrams from ab-initio calculations: Re-W and Fe-B

    Energy Technology Data Exchange (ETDEWEB)

    Hammerschmidt, Thomas; Bialon, Arthur; Palumbo, Mauro; Fries, Suzana G.; Drautz, Ralf [ICAMS, Ruhr-Universitaet Bochum (Germany)

    2011-07-01

    The CALPHAD (CaLculation of Phase Diagrams) method relies on Gibbs energy databases and is of limited predictive power in cases where only limited experimental data is available for constructing the Gibbs energy databases. This is problematic for, e.g., the calculation of the phase transformation kinetics within phase field simulations that not only require the thermodynamic equilibrium data but also information on metastable phases. Such information is difficult to obtain directly from experiment but ab-initio calculations may supplement experimental databases as they comprise metastable phases and arbitrary chemical compositions. We present simulations for two prototypical systems: Re-W and Fe-B. For both systems we calculate the heat of formation for an extensive set of structures using ab-initio calculations and employ the total energies in CALPHAD in order to determine the corresponding phase diagrams. We account for the configurational entropy within the Bragg-Williams approximation and neglect the phenomenological excess-term that is commonly used in CALPHAD as well as the contribution of phonons and electronic excitations to the free energy. According to our calculations the complex intermetallic phases in Re-W are stabilized by the configurational entropy. For Fe-B, we calculate metastable and stable phase diagrams including recently predicted new stable phases.

  11. Refinement of the Al-rich part of the Al–Cu–Re phase diagram and atomic model of the ternary Al{sub 6.2}Cu{sub 2}Re phase

    Energy Technology Data Exchange (ETDEWEB)

    Samuha, S. [Department of Materials Engineering, Ben Gurion University of the Negev, Beer Sheva 84105 (Israel); NRCN, P.O. Box 9001, Beer Sheva 84190 (Israel); Grushko, B. [MaTecK, Jülich D 52428 (Germany); PGI-5, Forschungszentrum Jülich, Jülich D 52425 (Germany); Meshi, L., E-mail: Louisa@bgu.ac.il [Department of Materials Engineering, Ben Gurion University of the Negev, Beer Sheva 84105 (Israel); Ilse Katz Institute for Nanoscale Science & Technology, Ben Gurion University of the Negev, Beer Sheva 84105 (Israel)

    2016-06-15

    Partial isothermal sections at 800, 650 and 590 °C were constructed for an Al-rich compositional range of Al–Cu–Re. The maximal solubility of Cu in the Al{sub 11}Re{sub 4}, h-Al{sub 4}Re and l-Al{sub 4}Re phases was found to be ∼6, 4.5, and 2.3 at% respectively, while the solubility of Re in the Al–Cu θ, η{sub 1} and ε{sub 2} phases was below 0.5 at%. Below 740 °C, a ternary hexagonal phase (P6{sub 3}, a = 1.1029 and c = 1.2746 nm) is formed in a small compositional range close to Al{sub 65}Cu{sub 25}Re{sub 10}. Its structural model was deduced by direct methods applied on the precession electron diffraction tomography data. - Highlights: • Al–Cu–Re was studied at 540–1030 °C up to 25 at% Re and 60 at% Cu. • Al{sub 11}Re{sub 4}, h-Al{sub 4}Re and l-Al{sub 4}Re dissolve 6, 4.5 and 2.3 at% Cu, respectively. • Earlier reported ternary compound Al{sub 8}CuRe was not confirmed. • Earlier reported ternary compound Al{sub 7}Cu{sub 2}Re is probably Al{sub 6.2}Cu{sub 2}Re. • Crystal structure of hexagonal Al{sub 6.2}Cu{sub 2}Re was solved.

  12. Transformation of UML Behavioral Diagrams to Support Software Model Checking

    Directory of Open Access Journals (Sweden)

    Luciana Brasil Rebelo dos Santos

    2014-04-01

    Full Text Available Unified Modeling Language (UML is currently accepted as the standard for modeling (object-oriented software, and its use is increasing in the aerospace industry. Verification and Validation of complex software developed according to UML is not trivial due to complexity of the software itself, and the several different UML models/diagrams that can be used to model behavior and structure of the software. This paper presents an approach to transform up to three different UML behavioral diagrams (sequence, behavioral state machines, and activity into a single Transition System to support Model Checking of software developed in accordance with UML. In our approach, properties are formalized based on use case descriptions. The transformation is done for the NuSMV model checker, but we see the possibility in using other model checkers, such as SPIN. The main contribution of our work is the transformation of a non-formal language (UML to a formal language (language of the NuSMV model checker towards a greater adoption in practice of formal methods in software development.

  13. On a generalized phase diagram of simultaneous transport processes - a two velocity universal plane of invariance

    Energy Technology Data Exchange (ETDEWEB)

    Som, A. [General Electric Company, SC (United States)

    2001-07-01

    The problem concerning void fraction as an additional degree of freedom for a discontinuous density continuum e.g., two-phase systems, is theoretically investigated. A generalized phase diagram has been found to signify the evolution of two-phase systems. With due regard to the objective property of motion, the transformation functions and its properties clearly expose the invariance of relative velocity with superficial velocities as the vector quantities. A fundamental one-to-one mapping involving Euclidean point spaces has been derived demonstrating a two-velocity universal plane of invariance as two-phase equation-of-state. The utility of the phase diagram for steady-state operations is doubtless because of the fundamental property of motion. (author)

  14. On a generalized phase diagram of simultaneous transport processes - a two velocity universal plane of invariance

    International Nuclear Information System (INIS)

    Som, A.

    2001-01-01

    The problem concerning void fraction as an additional degree of freedom for a discontinuous density continuum e.g., two-phase systems, is theoretically investigated. A generalized phase diagram has been found to signify the evolution of two-phase systems. With due regard to the objective property of motion, the transformation functions and its properties clearly expose the invariance of relative velocity with superficial velocities as the vector quantities. A fundamental one-to-one mapping involving Euclidean point spaces has been derived demonstrating a two-velocity universal plane of invariance as two-phase equation-of-state. The utility of the phase diagram for steady-state operations is doubtless because of the fundamental property of motion. (author)

  15. Disorder and pseudogap in strongly correlated systems: Phase diagram in the DMFT + Σ approach

    International Nuclear Information System (INIS)

    Kuleeva, N. A.; Kuchinskii, E. Z.

    2013-01-01

    The influence of disorder and pseudogap fluctuations on the Mott insulator-metal transition in strongly correlated systems has been studied in the framework of the generalized dynamic mean field theory (DMFT + Σ approach). Using the results of investigations of the density of states (DOS) and optical conductivity, a phase diagram (disorder-Hubbard interaction-temperature) is constructed for the paramagnetic Anderson-Hubbard model, which allows both the effects of strong electron correlations and the influence of strong disorder to be considered. Strong correlations are described using the DMFT, while a strong disorder is described using a generalized self-consistent theory of localization. The DOS and optical conductivity of the paramagnetic Hubbard model have been studied in a pseudogap state caused by antiferromagnetic spin (or charge) short-range order fluctuations with a finite correlation length, which have been modeled by a static Gaussian random field. The effect of a pseudogap on the Mott insulator-metal transition has been studied. It is established that, in both cases, the static Gaussian random field (related to the disorder or pseudogap fluctuations) leads to suppression of the Mott transition, broadening of the coexistence region of the insulator and metal phases, and an increase in the critical temperature at which the coexistence region disappears

  16. Data Science Innovations That Streamline Development, Documentation, Reproducibility, and Dissemination of Models in Computational Thermodynamics: An Application of Image Processing Techniques for Rapid Computation, Parameterization and Modeling of Phase Diagrams

    Science.gov (United States)

    Ghiorso, M. S.

    2014-12-01

    Computational thermodynamics (CT) represents a collection of numerical techniques that are used to calculate quantitative results from thermodynamic theory. In the Earth sciences, CT is most often applied to estimate the equilibrium properties of solutions, to calculate phase equilibria from models of the thermodynamic properties of materials, and to approximate irreversible reaction pathways by modeling these as a series of local equilibrium steps. The thermodynamic models that underlie CT calculations relate the energy of a phase to temperature, pressure and composition. These relationships are not intuitive and they are seldom well constrained by experimental data; often, intuition must be applied to generate a robust model that satisfies the expectations of use. As a consequence of this situation, the models and databases the support CT applications in geochemistry and petrology are tedious to maintain as new data and observations arise. What is required to make the process more streamlined and responsive is a computational framework that permits the rapid generation of observable outcomes from the underlying data/model collections, and importantly, the ability to update and re-parameterize the constitutive models through direct manipulation of those outcomes. CT procedures that take models/data to the experiential reference frame of phase equilibria involve function minimization, gradient evaluation, the calculation of implicit lines, curves and surfaces, contour extraction, and other related geometrical measures. All these procedures are the mainstay of image processing analysis. Since the commercial escalation of video game technology, open source image processing libraries have emerged (e.g., VTK) that permit real time manipulation and analysis of images. These tools find immediate application to CT calculations of phase equilibria by permitting rapid calculation and real time feedback between model outcome and the underlying model parameters.

  17. Neutron-diffraction studies of the nuclear magnetic phase diagram of copper

    DEFF Research Database (Denmark)

    Annila, A.J.; Clausen, Kurt Nørgaard; Oja, A.S.

    1992-01-01

    -field phase and the intermediate-field structure is of first order. The change from (0 2/3 2/3) at intermediate fields to (100) at zero field is associated with a large region (0.02 less-than-or-equal-to B less-than-or-equal-to 0.06 mT) of coexisting-(100) and (0 2/3 2/3)-type Bragg peaks, and can......We have studied the spontaneous antiferromagnetic (AF) order in the nuclear spin system of copper by use of neutron-diffraction experiments at nanokelvin temperatures. Copper is an ideal model system as a nearest-neighbor-dominated spin-3/2 fcc antiferromagnet. The phase diagram has been...... investigated by measuring the magnetic-field dependence of the (100) reflection, characteristic of a type-I AF structure, and of a Bragg peak at (0 2/3 2/3). The results suggest the presence of high-field (100) phases at 0.12 less-than-or-equal-to B less-than-or-equal-to B(c) almost-equal-to 0.26 mT, for B...

  18. Phase diagram of N = 2 superconformal field theories and bifurcation sets in catastrophe theory

    International Nuclear Information System (INIS)

    Kei Ito.

    1989-08-01

    Phase diagrams of N=2 superconformal field theories are mapped out. It is shown that they coincide with bifurcation sets in catastrophe theory. The results are applied to the determination of renormalization group flows triggered by a combination of two or more relevant operators. (author). 13 refs, 2 figs

  19. Thermochemical and phase diagram studies of the Sn–Zn–Ni system

    Czech Academy of Sciences Publication Activity Database

    Gandova, V.D.; Brož, P.; Buršík, Jiří; Vassilev, G.P.

    2011-01-01

    Roč. 524, 1-2 (2011), s. 47-55 ISSN 0040-6031 Institutional research plan: CEZ:AV0Z20410507 Keywords : DSC * solders * Sn-Zn-Ni phase diagram Subject RIV: BJ - Thermodynamics Impact factor: 1.805, year: 2011

  20. The NaNO2-NaNO3 system – a revised phase diagram

    DEFF Research Database (Denmark)

    Berg, Rolf W.; Kerridge, D.H.; Larsen, Peter Halvor

    2004-01-01

    Three earlier determinations of the phase diagram of the sodium nitrite/sodium nitrate binary system resulted in considerably different conclusions, ranging from simple eutectic to continuous solid solution types, together with different sub-solidus lines. Recent melting enthalpy measurements hav...

  1. Assessment of the thermodynamic properties and phase diagram of the Bi-Pd system

    Czech Academy of Sciences Publication Activity Database

    Vřešťál, Jan; Pinkas, J.; Watson, A.; Scott, A.; Houserová, Jana; Kroupa, Aleš

    2006-01-01

    Roč. 30, č. 1 (2006), s. 14-17 ISSN 0364-5916 R&D Projects: GA MŠk OC 531.001; GA MŠk OC 531.002 Institutional research plan: CEZ:AV0Z20410507 Keywords : phase diagram * ab initio calculations * calorimetry Subject RIV: BJ - Thermodynamics Impact factor: 1.432, year: 2006

  2. Au-Ni nanoparticles: Phase diagram prediction, synthesis, characterization, and thermal stability

    Czech Academy of Sciences Publication Activity Database

    Sopoušek, J.; Kryštofová, A.; Premovic, M.; Zobač, O.; Postlerová, S.; Brož, P.; Buršík, Jiří

    2017-01-01

    Roč. 58, SEP (2017), s. 25-33 ISSN 0364-5916 R&D Projects: GA ČR(CZ) GA17-12844S; GA ČR(CZ) GA17-15405S Institutional support: RVO:68081723 Keywords : nanoalloy * CALPHAD * phase diagram Subject RIV: BJ - Thermodynamics OBOR OECD: Thermodynamics Impact factor: 1.600, year: 2016

  3. Phase Diagrams of Mesogenic Binary Systems of Cobalt(II) and Univalent Metal Octanoates

    Science.gov (United States)

    Tokmenko, Inna I.; Mirnaya, Tatyana A.; Yaremchuk, Galina G.

    2011-11-01

    The phase diagrams of binary systems of cobalt(II) octanoate and lithium, sodium, potassium, and thallium(I) octanoates have been studied by differential thermal analysis and polythermal polarization microscopy. In all systems, continuous or limited liquid crystalline solutions of smectic modification are formed. The temperature and composition ranges of the formation of liquid crystals and glasses have been determined.

  4. Gd5(SixGe1−x)4 system – updated phase diagram

    International Nuclear Information System (INIS)

    Melikhov, Yevgen; Hadimani, R.L.; Raghunathan, Arun

    2015-01-01

    Gd 5 (Si x Ge 1−x ) 4 for 0.41phase transition between the two. In this range, the magnetic moment vs. magnetic field (MH) isotherms measured just above the first order transition temperature carry information about all magnetic and structural transitions. Here, the Curie–Weiss law was applied to the paramagnetic portions of the MH isotherms which allowed identification of the second order magnetic phase transition temperature of the monoclinic phase, a region where the second order transition does not occur due to the existence of the first order transition. The calculated second order phase transition temperatures of the monoclinic phase were added to the existing phase diagram. The completed magnetic-structural phase diagram carries now all the information including the magnetic transition temperatures of both monoclinic and orthorhombic phases. It was also found that the magnetic transition temperature of the monoclinic phase and the first order transition temperature are interrelated. - Highlights: • Magnetocaloric Gd 5 (Si x Ge 1−x ) 4 for 0.41phase transition suppresses second order transition of monoclinic phase. • Curie–Weiss law and Arrott Plot technique were used to analyse M vs. H isotherms. • Second order phase transition temperatures of the monoclinic phase were estimated. • Magnetic-structural phase diagram Gd 5 (Si x Ge 1−x ) 4 for 0.41

  5. Hadron yields and the phase diagram of strongly interacting matter

    CERN Document Server

    Floris, Michele

    2014-01-01

    This paper presents a brief review of the interpretation of measurements of hadron yields in hadronic interactions within the framework of thermal models, over a broad energy range (from SIS to LHC energies, $\\sqrt{s_{NN}} \\simeq$ 2.5 GeV -- 5 TeV). Recent experimental results and theoretical developments are reported, with an emphasis on topics discussed during the Quark Matter 2014 conference.

  6. Phase diagrams and anomalous thermodynamic behavior of a correlated spin–electron system on doubly decorated planar lattices

    Energy Technology Data Exchange (ETDEWEB)

    Strečka, Jozef, E-mail: jozef.strecka@upjs.sk [Department of Theoretical Physics and Astrophysics, Faculty of Science, P.J. Šafárik University, Park Angelinum 9, 040 01 Košice (Slovakia); Čenčariková, Hana [Institute of Experimental Physics, Slovak Academy of Sciences, Watsonova 47, 040 01 Košice (Slovakia); Lyra, Marcelo L. [Instituto de Fisica, Universidade Federal de Alagoas, 57072-970 Maceió, AL (Brazil)

    2015-12-04

    Phase diagrams and thermodynamic properties of a correlated spin–electron system considering localized Ising spins on nodal sites and mobile electrons on decorating sites of doubly decorated planar lattices are rigorously examined with the help of generalized decoration–iteration transformation. The investigated model defined on loose-packed (honeycomb and square) lattices exhibits the phase diagram including a spontaneous ferromagnetic and antiferromagnetic order in a vicinity of quarter and half-filling, respectively, while the same model on close-packed (triangular and kagome) lattices only shows a spontaneous ferromagnetic order due to a kinetically-driven spin frustration at high electron concentrations. The lower critical concentration, at which the ferromagnetic order appears, is remarkably close to a bond percolation threshold in spite of the annealed character of the developed procedure. The specific heat exhibits at the critical temperature either a logarithmic divergence for integer-valued electron concentrations or it shows a finite-cusp for any non-integer electron concentration due to the annealed bond disorder. - Highlights: • Correlated spin–electron system on decorated 2D lattices is exactly solved. • Phase diagrams involve ferro- and antiferromagnetic order near 1/4 and 1/2 filling. • Magnetization is not saturated at zero temperature due to the annealed disorder. • Specific heat displays a finite cusp at the critical temperature.

  7. DIAGRAM SOLVE THE USE OF SIMULINK BLOCK DIAGRAM TO SOLVE MATHEMA THEMATICAL CONTROL EQU MATHEMATICAL MODELS AND CONTROL EQUATIONS

    Directory of Open Access Journals (Sweden)

    N.M. Ghasem

    2003-12-01

    Full Text Available In this paper, the simulink block diagram is used to solve a model consists of a set of ordinary differential and algebraic equations to control the temperature inside a simple stirred tank heater. The flexibility of simulink block diagram gives students a better understanding of the control systems. The simulink also allows solution of mathematical models and easy visualization of the system variables. A polyethylene fluidized bed reactor is considered as an industrial example and the effect of the Proportional, Integral and Derivative control policy is presented for comparison.

  8. Phase diagrams for an ideal gas mixture of fermionic atoms and bosonic molecules

    DEFF Research Database (Denmark)

    Williams, J. E.; Nygaard, Nicolai; Clark, C. W.

    2004-01-01

    We calculate the phase diagrams for a harmonically trapped ideal gas mixture of fermionic atoms and bosonic molecules in chemical and thermal equilibrium, where the internal energy of the molecules can be adjusted relative to that of the atoms by use of a tunable Feshbach resonance. We plot...... diagrams obtained in recent experiments on the Bose-Einstein condensation to Bardeen-Cooper-Schrieffer crossover, in which the condensate fraction is plotted as a function of the initial temperature of the Fermi gas measured before a sweep of the magnetic field through the resonance region....

  9. On the problem of the phase diagram of new superconductors

    Energy Technology Data Exchange (ETDEWEB)

    Gor' kov, L.P.; Sokol, A.V. (AN SSSR, Moscow. Inst. Teoreticheskoj Fiziki (SU))

    1989-09-01

    We present a model of the electron spectrum with one delocalized hole-like broad band weakly hybridized with the array of localized levels. Effective Hamiltonian including the spin-spin interaction, spin-hole interaction and hole-hole interaction is derived. At some assumptions the exchange integral proves to be a long-range one. It is shown that at small dopant concentrations carriers in the conduction band form the large size polarons. The magnetic susceptibility of the whole system and its dependence on concentration and temperature (in the range of large concentrations) are found. It is shown that, due to the compensating contribution from the RKKY-interaction, an antiferromagnetic system may tend to a ferromagnetic instability with the characteristic energy of the order of the Neel temperature. The importance of the quantum effects is emphasized.

  10. The p-T phase diagram for ferroelectric bis-thiourea pyridinium nitrate

    International Nuclear Information System (INIS)

    Bilski, P.; Czarnecki, P.; Lewicki, S.; Wasicki, J.

    2011-01-01

    Highlights: → Bis-thiourea pyridinium nitrate has been studied at high pressures up to 1 GPa. → p-T phase diagram has been obtained by NMR and dielectric method. → The triple point is observed in p-T diagram. → The continuous phase transition is changed to discontinuous at the pressure 450 Mpa. - Abstract: The effect of temperature and pressure on physical properties of the ferroelectric bis-thiourea pyridinium nitrate inclusion compound has been studied by dielectric spectroscopy and nuclear magnetic resonance (NMR). At ambient pressure the ferroparaelectric phase transition observed at T 2 = 216 K is continuous in contrast to the nonferroelectric phase transition observed at T 1 = 273 K. Under small pressures, the temperatures of the phase transitions T 1 and T 2 increase with increasing pressure. Starting from about 250 MPa, T 1 temperature decreases with increasing pressure, while T 2 temperature increases with increasing pressure. At 450 MPa and 245 K a triple point is observed. Bis-thiourea pyridinium nitrate undergoes a continuous phase transition from the ferroelectric to paraelectric phase under 450 MPa, while above this pressure the phase transition from the ferroelectric to paraelectric phase is discontinuous. The change in the phase transition character is related to the crystallographic change in the group-subgroup relation between the ferro- and paraelectric phases taking place with increasing pressure.

  11. Studies of nuclei under the extreme conditions of density, temperature, isospin asymmetry and the phase diagram of hadronic matter

    Energy Technology Data Exchange (ETDEWEB)

    Mekjian, Aram [Rutgers Univ., Piscataway, NJ (United States). Dept. of Physics and Astronomy

    2016-10-18

    The main emphasis of the entire project is on issues having to do with medium energy and ultra-relativistic energy and heavy ion collisions. A major goal of both theory and experiment is to study properties of hot dense nuclear matter under various extreme conditions and to map out the phase diagram in density or chemical potential and temperature. My studies in medium energy nuclear collisions focused on the liquid-gas phase transition and cluster yields from such transitions. Here I developed both the statistical model of nuclear multi-fragmentation and also a mean field theory.

  12. Determining the phase diagram of lithium via ab initio calculation and ramp compression

    Science.gov (United States)

    Shulenburger, Luke; Seagle, Chris; Haill, Thomas; Harding, Eric

    2015-06-01

    Diamond anvil cell experiments have shown elemental lithium to have an extraordinarily complex phase diagram under pressure exhibiting numerous solid phases at pressures below 1 Mbar, as well as a complicated melting behavior. We explore this phase diagram utilizing a combination of quantum mechanical calculations and ramp compression experiments performed on Sandia National Laboratories' Z-machine. We aim to extend our knowledge of the high pressure behavior to moderate temperatures at pressures above 50 GPa with a specific focus on the melt line above 70 GPa. Sandia National Laboratories is a multi-program laboratory managed and operated by Sandia Corporation, a wholly owned subsidiary of Lockheed Martin Company, for the US Dept of Energy's Natl. Nuclear Security Administration under Contract DE-AC04-94AL85000.

  13. The Lipid domain Phase diagram in a Dipalmitoyl-PC/Docosahaexnoic Acid-PE/Cholesterol System

    Science.gov (United States)

    Lor, Chai; Hirst, Linda

    2011-03-01

    Lipid domains in bilayer membrane and polyunsaturated fatty acids (PUFAs) are thought to play an important role in cellular activities. In particular, lipids containing docosahaexnoic acid are an interesting class of PUFAs due to their health benefits. In this project, we perform oxidation measurements of DHA-PE to determine the rate of oxidation in combination with antioxidants. A ternary diagram of DPPC/DHA-PE/cholesterol is mapped out to identify phase separation phenomena using atomic force microscope (AFM). Fluorescence microscopy is also used to image lipid domains in a flat bilayer with fluorescent labels. As expected, we observe the phase, shape, and size of lipid domains changes with varying composition. Moreover, we find that the roughness of the domains changes possibly due to overpacking of cholesterol in domains. This model study provides further understanding of the role of cholesterol in the bilayer membrane leading towards a better understanding of cell membranes. NSF award # DMR 0852791, ``CAREER: Self-Assembly of Polyunsaturated Lipids and Cholesterol In The Cell Membrane.''

  14. The Computerised Calculus in the Prognosis of the Phase Equilibrium Diagram of the Ternary System Al-Cu-Si

    Directory of Open Access Journals (Sweden)

    Florentina A. Cziple

    2006-10-01

    Full Text Available The paper presents a model for establishing the mathematical functions of the liquidus and solidus curves, from the binary diagrams Al-Si, Si-Cu, Cu-Al and their use in the prognosis of the phase equilibrium diagram from the ternary system Al-Cu-Si. We have studied the model of the non-ideal liquid solution of the regular type. The calculus and graphic plotting of the equations for the binary systems has been performed on the computer with the software programmes MathCad 2000 Professional, Statistica 5, Curve Expert, and for the ternary system Al-Cu-Si, with the 3D StudioMax software

  15. E-T phase diagram of an antiferroelectric liquid crystal with re-entrand smectic C* phase

    Czech Academy of Sciences Publication Activity Database

    Na, Y.-H.; Naruse, Y.; Fukuda, N.; Orihara, H.; Fajar, A.; Hamplová, Věra; Kašpar, Miroslav; Glogarová, Milada

    2008-01-01

    Roč. 364, č. 1 (2008), s. 13-19 ISSN 0015-0193 Institutional research plan: CEZ:AV0Z10100520 Keywords : phase diagram * liquid crystals * dielectric measurements * electric field Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 0.562, year: 2008

  16. Application of quaternary phase diagrams to compound semiconductor processing. Progress report, April 1, 1988--December 31, 1988

    Energy Technology Data Exchange (ETDEWEB)

    Schwartzman, A.

    1988-12-31

    This paper considers the application of quaternary phase diagrams to understanding and predicting the behavior of II-VI thin film interfaces in photovoltaic devices under annealing conditions. Examples, listed in a table, include semiconductor/insulator/semiconductor (SIS) layered structures, II-VI/II-VI and III-V/II-VI epitaxial heterojunctions and oxidation of ternary compounds. Solid solubility is taken into account for quaternary phase diagrams of semiconductor systems. Using free energies of formation, a method to calculate the quaternary phase diagrams was developed. The Ga-As-II-VI and Cd-Te-Zn-O phase diagrams are reviewed as examples of quaternary phase diagrams without and with solid solubility.

  17. Decomposition of business process models into reusable sub-diagrams

    Directory of Open Access Journals (Sweden)

    Wiśniewski Piotr

    2017-01-01

    Full Text Available In this paper, an approach to automatic decomposition of business process models is proposed. According to our method, an existing BPMN diagram is disassembled into reusable parts containing the desired number of elements. Such elements and structure can work as design patterns and be validated by a user in terms of correctness. In the next step, these component models are categorised considering their parameters such as resources used, as well as input and output data. The classified components may be considered a repository of reusable parts, that can be further applied in the design of new models. The proposed technique may play a significant role in facilitating the business process redesign procedure, which is of a great importance regarding engineering and industrial applications.

  18. Identification of phases of various oil, surfactant/ co-surfactants and water system by ternary phase diagram.

    Science.gov (United States)

    Syed, Haroon K; Peh, Kok K

    2014-01-01

    The objective of this study was to select appropriate surfactants or blends of surfactants and oil to study the ternary phase diagram behavior and identify various phases obtained from the oil and surfactant/surfactant mixture combinations of different HLB. The phases include conventional emulsion, gel/viscous and transparent/translucent microemulsion. Pseudoternary phase diagrams of water, oil and S/Smix of various HLB values range of 9.65-15 were constructed by using water titration method at room temperature. Visual analysis, conductivity and dye dilution test (methylene blue) were performed after each addition and mixing of water, to identify phases as microemulsion, o/w or w/o emulsion (turbid/milky) and transparent gel/turbid viscous. High gel or viscous area was obtained with Tween 80 and surfactant mixture of Tween 80 and Span 80 with all oils. The results indicated that non-ionic surfactants and PG of different HLB values exhibited different pseudoternary phase diagram characteristics but no microemulsions originated from mineral and olive oils. The w/o emulsion occupied a large area in the ternary phase triangle when HLB value of the surfactant/Smix decreased. The o/w emulsion area was large with increasing HLB value of surfactant/Smix.

  19. Equilibrium p-T Phase Diagram of Boron: Experimental Study and Thermodynamic Analysis

    Science.gov (United States)

    Solozhenko, Vladimir L.; Kurakevych, Oleksandr O.

    2013-01-01

    Solid-state phase transformations and melting of high-purity crystalline boron have been in situ and ex situ studied at pressures to 20 GPa in the 1500–2500 K temperature range where diffusion processes become fast and lead to formation of thermodynamically stable phases. The equilibrium phase diagram of boron has been constructed based on thermodynamic analysis of experimental and literature data. The high-temperature part of the diagram contains p-T domains of thermodynamic stability of rhombohedral β-B106, orthorhombic γ-B28, pseudo-cubic (tetragonal) t'-B52, and liquid boron (L). The positions of two triple points have been experimentally estimated, i.e. β–t'–L at ~ 8.0 GPa and ~ 2490 K; and β–γ–t' at ~ 9.6 GPa and ~ 2230 K. Finally, the proposed phase diagram explains all thermodynamic aspects of boron allotropy and significantly improves our understanding of the fifth element. PMID:23912523

  20. Thermodynamic analysis of 6xxx series Al alloys: Phase fraction diagrams

    Directory of Open Access Journals (Sweden)

    Cui S.

    2018-01-01

    Full Text Available Microstructural evolution of 6xxx Al alloys during various metallurgical processes was analyzed using accurate thermodynamic database. Phase fractions of all the possible precipitate phases which can form in the as-cast and equilibrium states of the Al-Mg-Si-Cu-Fe-Mn-Cr alloys were calculated over the technically useful composition range. The influence of minor elements such as Cu, Fe, Mn, and Cr on the amount of each type of precipitate in the as-cast and equilibrium conditions were analyzed. Phase fraction diagrams at 500 °C were mapped in the composition range of 0-1.1 wt.% Mg and 0-0.7 wt.% Si to investigate the as-homogenized microstructure. In addition, phase fraction diagram of Mg2Si at 177 °C was mapped to understand the microstructure after final annealing of 6xxx Al alloy. Based on the calculated diagrams, the design strategy of 6xxx Al alloy to produce highest strength due to Mg2Si is discussed.

  1. Topological Phase Diagrams of Bulk and Monolayer TiS2−xTex

    KAUST Repository

    Zhu, Zhiyong

    2013-02-12

    With the use of ab initio calculations, the topological phase diagrams of bulk and monolayer TiS2−xTex are established. Whereas bulk TiS2−xTex shows two strong topological phases [1;(000)] and [1;(001)] for 0.44phases in three and two dimensions simultaneously.

  2. Structure, thermodynamic properties, and phase diagrams of few colloids confined in a spherical pore

    Science.gov (United States)

    Paganini, Iván E.; Pastorino, Claudio; Urrutia, Ignacio

    2015-06-01

    We study a system of few colloids confined in a small spherical cavity with event driven molecular dynamics simulations in the canonical ensemble. The colloidal particles interact through a short range square-well potential that takes into account the basic elements of attraction and excluded-volume repulsion of the interaction among colloids. We analyze the structural and thermodynamic properties of this few-body confined system in the framework of inhomogeneous fluids theory. Pair correlation function and density profile are used to determine the structure and the spatial characteristics of the system. Pressure on the walls, internal energy, and surface quantities such as surface tension and adsorption are also analyzed for a wide range of densities and temperatures. We have characterized systems from 2 to 6 confined particles, identifying distinctive qualitative behavior over the thermodynamic plane T - ρ, in a few-particle equivalent to phase diagrams of macroscopic systems. Applying the extended law of corresponding states, the square well interaction is mapped to the Asakura-Oosawa model for colloid-polymer mixtures. We link explicitly the temperature of the confined square-well fluid to the equivalent packing fraction of polymers in the Asakura-Oosawa model. Using this approach, we study the confined system of few colloids in a colloid-polymer mixture.

  3. Structure, thermodynamic properties, and phase diagrams of few colloids confined in a spherical pore.

    Science.gov (United States)

    Paganini, Iván E; Pastorino, Claudio; Urrutia, Ignacio

    2015-06-28

    We study a system of few colloids confined in a small spherical cavity with event driven molecular dynamics simulations in the canonical ensemble. The colloidal particles interact through a short range square-well potential that takes into account the basic elements of attraction and excluded-volume repulsion of the interaction among colloids. We analyze the structural and thermodynamic properties of this few-body confined system in the framework of inhomogeneous fluids theory. Pair correlation function and density profile are used to determine the structure and the spatial characteristics of the system. Pressure on the walls, internal energy, and surface quantities such as surface tension and adsorption are also analyzed for a wide range of densities and temperatures. We have characterized systems from 2 to 6 confined particles, identifying distinctive qualitative behavior over the thermodynamic plane T - ρ, in a few-particle equivalent to phase diagrams of macroscopic systems. Applying the extended law of corresponding states, the square well interaction is mapped to the Asakura-Oosawa model for colloid-polymer mixtures. We link explicitly the temperature of the confined square-well fluid to the equivalent packing fraction of polymers in the Asakura-Oosawa model. Using this approach, we study the confined system of few colloids in a colloid-polymer mixture.

  4. Pressure-Temperature Phase Diagram of (TMTSF){sub 2}BF{sub 4}

    Energy Technology Data Exchange (ETDEWEB)

    Cho, Yeon Jung [Dept. of Physics, Kyungpook National University, Daegu (Korea, Republic of)

    2012-08-15

    (TMTSF){sub 2}BF{sub 4} containing non-centrosymmetric anions is well known to exhibit a metal insulator transition around 37 K by ordering of the anions with a q{sub 2}=(1/2, 1/2, 1/2) wave vector. We established pressure-temperature phase diagram of the (TMTSF){sub 2}BF{sub 4} compound and showed that it can belong to the general phase diagram of the (TMTSF){sub 2}X family. Application of hydrostatic pressure decreases the anion ordering transition temperature and the superconducting state is finally stabilized below 3.77 K under 7.7 kbar. Magnetoresistance measurement on the (TMTSF){sub 2}BF{sub 4} under 7.8 kbar is performed but neither the field-induced spin-density-wave state nor the rapid oscillation is observed up to 9 T.

  5. Thermodynamic functions, freezing transition, and phase diagram of dense carbon-oxygen mixtures in white dwarfs

    International Nuclear Information System (INIS)

    Iyetomi, H.; Ogata, S.; Ichimaru, S.

    1989-01-01

    Equations of state for dense carbon-oxygen (C-O) binary-ionic mixtures (BIM's) appropriate to the interiors of white dwarfs are investigated through Monte Carlo simulations, by solution of relevant integral equations and variational calculations in the density-functional formalism. It is thereby shown that the internal energies of the C-O BIM solids and fluids both obey precisely the linear mixing formulas. We then present an accurate calculation of the phase diagram associated with freezing transitions in such BIM materials, resulting in a novel prediction of an azeotropic diagram. Discontinuities of the mass density across the azeotropic phase boundaries are evaluated numerically for application to a study of white-dwarf evolution

  6. Phase diagrams and radial distribution of the electric field components of coaxial discharges with outer dielectric tube at different wave modes

    International Nuclear Information System (INIS)

    Neichev, Z; Benova, E; Gamero, A; Sola, A

    2007-01-01

    The purpose of this work is to investigate phase diagrams and electric field radial distribution of coaxial discharges, sustained by a traveling electromagnetic wave, assuming finite and infinite thickness of the discharge chamber in the model. The calculations are made for azimuthally symmetric and dipolar wave modes. The phase diagrams and the radial profiles of the electric field at various thicknesses of the outer dielectric tube of the chamber and different discharge conditions are obtained. For the purpose of low pressure coaxial plasma modelling, radial profiles of the electric field at different discharge conditions have been investigated experimentally and compared with the theoretical results

  7. Magnetic phase diagram of ErGe 1-xSi x (0

    Science.gov (United States)

    Thuéry, P.; El Maziani, F.; Clin, M.; Schobinger-Papamantellos, P.; Buschow, K. H. J.

    1993-10-01

    The composition-temperature magnetic phase diagram of ErGe 1- xSi x (0 0.40. For 0.17 ≥ x ≤ 0.55, a first-order transition occurs as function of the temperature between these two phases. For x ≥ 0.65, a lock-in transition takes place at TIC, leading from the wavevector ( k' x,0, k' z) to (1/2,0,1/2), as was already observed in ErSi. Finally, for x < 0.17 or 0.55 < x < 0.65, the wavevectors of the incommensurate phases characterized by (0,0, kz) or ( k' x,0, k' z) respectively remain unchanged in the whole temperature range below TN. For x≥0.65, a small amount of a magnetic phase characterized by the wavevector (0,0, 1/2) coexists with the main phases, below a Néel temperature T' N slightly lower than TN. In all cases, the erbium magnetic moments are colinear along the orthorhombic α-axis; the arrangement of the moments in the commensurate phases is the same as in ErSi and the incommensurate orderings correspond to sine-wave amplitude modulations. A brief account on the theoretical interpretation of this phase diagram is finally given.

  8. Insulator-insulator and insulator-conductor transitions in the phase diagram of aluminium trichloride

    Directory of Open Access Journals (Sweden)

    Romina Ruberto

    2009-01-01

    Full Text Available We report a classical computer-simulation study of the phase diagram of AlCl3 in the pressure-temperature (p, T plane, showing (i that melting from a layered crystal structure occurs into a molecular liquid at low (p, T and into a dissociated ionic liquid at high (p, T, and (ii that a broad transition from a molecular insulator to an ionic conductor takes place in the liquid state.

  9. Vortex phase diagram studies in the weakly pinned single crystals of ...

    Indian Academy of Sciences (India)

    Vortex phase diagram studies in the weakly pinned single crystals of YNi2B2C and LuNi2B2C. D JAISWAL-NAGAR1,∗, D PAL2, M R ESKILDSEN2, P C CANFIELD3,. H TAKEYA4, S RAMAKRISHNAN1 and A K GROVER1,†. 1Department of Condensed Matter Physics and Materials Science, Tata Institute of Fundamental ...

  10. Equilibrium phase diagram of the Ag-Au-Pb ternary system

    International Nuclear Information System (INIS)

    Hassam, S.; Bahari, Z.

    2005-01-01

    The phase diagram of the ternary system Ag-Au-Pb has been established using differential thermal analysis and X-ray powder diffraction analysis. Four vertical sections were studied: X Pb = 0.40, X Au /X Pb = 1/3, X Ag /X Au = 4/1 and X Ag /X Au = 1/1. Two ternary transitory peritectics and one ternary eutectic were characterized. A schematic representation of the ternary equilibria is given

  11. Binary phase diagram of monolayers of simple 1,2-diol derivatives

    DEFF Research Database (Denmark)

    Wolf, C. De; Bringezu, F.; Brezesinski, G.

    1998-01-01

    The miscibility properties of monolayers of two 1,2-diol derivatives, 1-palmitoylglycerol (1) and 1-hexadecylglycerol (2), have been studied at the air-water interface using grazing incidence X-ray diffraction (GIXD). While, at all pressures investigated, compound (I) exhibits only a NN-tilted re....... A phase diagram is presented for the mixture of (1) and (2). (C) 1998 Elsevier Science B.V. All rights reserved....

  12. Revision of the Ge–Ti phase diagram and structural stability of the new phase Ge4Ti5

    International Nuclear Information System (INIS)

    Bittner, Roland W.; Colinet, Catherine; Tedenac, Jean-Claude; Richter, Klaus W.

    2013-01-01

    Highlights: •New compound Ge 4 Ti 5 found by experiments and by DFT ground state calculations. •Enthalpies of formation calculated for different Ge–Ti compounds. •Modifications of the Ge–Ti phase diagram suggested. -- Abstract: The binary phase diagram Ge–Ti was investigated experimentally by powder X-ray diffraction, scanning electron microscopy including EDX analysis, and differential thermal analysis. Total energies of the compounds GeTi 3 , GeTi 2 , Ge 3 Ti 5 , Ge 4 Ti 5 , Ge 5 Ti 6 , GeTi and Ge 2 Ti were calculated for various structure types employing electronic density-functional theory (DFT). Experimental studies as well as electronic calculations show the existence of a new phase Ge 4 Ti 5 (Ge 4 Sm 5 -type, oP36, Pnma) which is formed in a solid state reaction Ge 3 Ti 5 + Ge 5 Ti 6 = Ge 4 Ti 5 . In addition, a significant homogeneity range was observed for the compound Ge 3 Ti 5 and the composition of the liquid phase in the eutectic reaction L = Ge + Ge 2 Ti was found to be at significant higher Ge-content (97.5 at.% Ge) than reported in previous studies. Based on these new results, a modified phase diagram Ge–Ti is suggested. The zero-temperature lattice parameters and the formation enthalpies determined by DTF calculations were found to be in good agreement with experimental data

  13. Gold-copper nano-alloy, "Tumbaga", in the era of nano: phase diagram and segregation.

    Science.gov (United States)

    Guisbiers, Grégory; Mejia-Rosales, Sergio; Khanal, Subarna; Ruiz-Zepeda, Francisco; Whetten, Robert L; José-Yacaman, Miguel

    2014-11-12

    Gold-copper (Au-Cu) phases were employed already by pre-Columbian civilizations, essentially in decorative arts, whereas nowadays, they emerge in nanotechnology as an important catalyst. The knowledge of the phase diagram is critical to understanding the performance of a material. However, experimental determination of nanophase diagrams is rare because calorimetry remains quite challenging at the nanoscale; theoretical investigations, therefore, are welcomed. Using nanothermodynamics, this paper presents the phase diagrams of various polyhedral nanoparticles (tetrahedron, cube, octahedron, decahedron, dodecahedron, rhombic dodecahedron, truncated octahedron, cuboctahedron, and icosahedron) at sizes 4 and 10 nm. One finds, for all the shapes investigated, that the congruent melting point of these nanoparticles is shifted with respect to both size and composition (copper enrichment). Segregation reveals a gold enrichment at the surface, leading to a kind of core-shell structure, reminiscent of the historical artifacts. Finally, the most stable structures were determined to be the dodecahedron, truncated octahedron, and icosahedron with a Cu-rich core/Au-rich surface. The results of the thermodynamic approach are compared and supported by molecular-dynamics simulations and by electron-microscopy (EDX) observations.

  14. Phase diagram studies for microencapsulation of pharmaceuticals using cellulose acetate trimellitate.

    Science.gov (United States)

    Sanghvi, S P; Nairn, J G

    1991-04-01

    Phase diagrams were prepared to indicate the region of microcapsule formation for the following system: cellulose acetate trimellitate, light mineral oil, and the solvent mixture (acetone:ethanol), using chloroform as the hardening agent. The effect of sorbitan monoleate, sorbitan monolaurate, and sorbitan trioleate on the region of the phase diagram for the formation of microcapsules was investigated. The results indicate that microcapsules are readily formed when the polymer concentration is in the 0.5-1.5% range and the solvent concentration is in the 5-10% range. Aggregation of microcapsules was minimized by using lower solvent concentration. Low concentrations of sorbitan monooleate in mineral oil (less than or equal to 1%) gave products that had smoother coats and more uniform particle size. Surfactants with low hydrophile:lipophile balance produced larger regions on the phase diagram for microencapsulation compared with a surfactant with higher hydrophile:lipophile balance. A mechanism for microencapsulation is described. Tartrazine microcapsules produced using different concentrations of surfactant were tested for dissolution characteristics in both acidic and neutral conditions. Tartrazine-containing microcapsules prepared by using 3% sorbitan monooleate had the lowest release in acidic conditions. The effect of surfactant and formulation concentration on microcapsule size was studied by analyzing the particle size distribution for both blank and tartrazine-containing microcapsules. The smallest microcapsule size was obtained when the sorbitan monooleate concentration was 3%. It appears that there is an upper limit for the surfactant concentration that could be used to achieve successful microencapsulation.

  15. The Establishment, Plotting and Statistic– Mathematical Interpretation of the Liquidus Surface from the Phase Equilibrium Diagram of the Ternary System Al-Cu-Si

    Directory of Open Access Journals (Sweden)

    Florentina A. Cziple

    2006-10-01

    Full Text Available The paper forwards the conclusions of a survey performed on a mathematical model of the phase equilibrium from the ternary system Al-Cu-Si. The author presents the calculus of the statistic equation of the liquidus surface model from this diagram, the plotting and statistical-mathematical interpretation of the results obtained.

  16. Magnetic Hamiltonian and phase diagram of the quantum spin liquid Ca10Cr7O28

    Science.gov (United States)

    Balz, Christian; Lake, Bella; Nazmul Islam, A. T. M.; Singh, Yogesh; Rodriguez-Rivera, Jose A.; Guidi, Tatiana; Wheeler, Elisa M.; Simeoni, Giovanna G.; Ryll, Hanjo

    2017-05-01

    A spin liquid is a new state of matter with topological order where the spin moments continue to fluctuate coherently down to the lowest temperatures rather than develop static long-range magnetic order as found in conventional magnets. For spin liquid behavior to arise in a material the magnetic Hamiltonian must be "frustrated", where the combination of lattice geometry, interactions, and anisotropies gives rise to competing spin arrangements in the ground state. Theoretical Hamiltonians which produce spin liquids are spin ice, the Kitaev honeycomb model, and the kagome antiferromagnet. Spin liquid behavior, however, in real materials is rare because they can only approximate these Hamiltonians and often have weak higher-order terms that destroy the spin liquid state. Ca10Cr7O28 is a new quantum spin liquid candidate with magnetic Cr5 + ions that possess quantum spin number S =½ . The spins are entirely dynamic in the ground state and the excitation spectrum is broad and diffuse, as is typical of spinons which are the excitations of a spin liquid. In this paper we determine the Hamiltonian of Ca10Cr7O28 using inelastic neutron scattering under high magnetic field to induce a field-polarized paramagnetic ground state and spin-wave excitations that can be fitted to extract the interactions. We further explore the phase diagram by using inelastic neutron scattering and heat capacity measurements and establish the boundaries of the spin liquid phase as a function of magnetic field and temperature. Our results show that Ca10Cr7O28 consists of distorted kagome bilayers with several isotropic ferromagnetic and antiferromagnetic interactions where, unexpectedly, the ferromagnetic interactions are stronger than the antiferromagnetic ones. This complex Hamiltonian does not correspond to any known spin liquid model and points to new directions in the search for quantum spin liquid behavior.

  17. Pseudo-ternary phase diagram in the Na2O-Na2O2-NaOH system

    International Nuclear Information System (INIS)

    Saito, Jun-ichi; Tendo, Masayuki; Aoto, Kazumi

    1997-10-01

    Generally, the phase diagrams are always used to understand the present state of compounds at certain temperature. In order to understand the corrosion behavior of structural material for FBR by main sodium compounds (Na 2 O, Na 2 O 2 and NaOH), it is very important to comprehend the phase diagrams of their compounds. However, only Na 2 O-NaOH pseudo-binary phase diagram had been investigated previously in this system. There is no study of other pseudo-binary or ternary phase diagrams in the Na 2 O-Na 2 O 2 -NaOH system. In this study, in order to clarify the present states of their compounds at certain temperatures, the pseudo-binary and ternary phase diagrams in the Na 2 O-Na 2 O 2 -NaOH system were prepared. A series of thermal analyses with binary and ternary component system has been carried out using the differential scanning calorimetry (DSC). The liquidus temperature and ternary eutectic temperatures were confirmed by these measurements. The beneficial indications for constructing phase diagrams were obtained from these experiments. On the basis of these results, the interaction parameters between compounds which were utilized for the Thermo-Calc calculation were optimized. Thermo-Calc is one of thermodynamic calculation software. Consequently the accurate pseudo-binary and ternary phase diagrams were indicated using the optimized parameters. (author)

  18. Experimental investigation and thermodynamic calculations of the Bi–In–Ni phase diagram

    Energy Technology Data Exchange (ETDEWEB)

    Premović, Milena [University in Priština, Faculty of Technical Science, Kosovo, Mitrovica (Serbia); Minić, Duško, E-mail: dminic65@open.telekom.rs [University in Priština, Faculty of Technical Science, Kosovo, Mitrovica (Serbia); Manasijević, Dragan [University of Belgrade, Technical Faculty, Bor (Serbia); Ćosović, Vladan [University of Belgrade, Institute of Chemistry, Technology and Metallurgy, Belgrade (Serbia); Živković, Dragana [University of Belgrade, Technical Faculty, Bor (Serbia); Dervišević, Irma [University in Priština, Faculty of Technical Science, Kosovo, Mitrovica (Serbia)

    2015-06-10

    Highlights: • Calculated constitutive binary system based on literature data. • Experimentally determined (DTA) temperatures of phase transformations compared with analytical calculation. • Definition of several vertical sections. • Calculated horizontal section, confirmed by experimental SEM–EDS and XRD method. • Calculated liquidus surface projection and determined invariant reaction occurred in ternary Bi–In–Ni system. - Abstract: Phase diagram of the Bi–In–Ni ternary system was investigated using differential thermal analysis (DTA), scanning electron microscopy (SEM) with energy dispersive spectrometry (EDS), and X-ray powder diffraction (XRD) analysis. Experimentally obtained results were compared with the results of thermodynamic calculation of phase equilibria based on calculation of phase diagram (CALPHAD) method and literature data. Phase transition temperatures of alloys with overall compositions along three selected vertical sections In–Bi{sub 0.8}Ni{sub 0.2}, x(Bi) = 0.6 and Bi–In{sub 0.5}Ni{sub 0.5} were measured by DTA. Liquidus temperatures were experimentally determined and compared with the results of thermodynamic calculation. Identification of coexisting phases in samples equilibrated at 100 °C, 300 °C and 350 °C was carried out using SEM–EDS and XRD methods. The obtained results were compared with the calculated isothermal sections of the Bi–In–Ni ternary system at corresponding temperatures. Calculated liquidus projection and invariant equilibria of the Bi–In–Ni ternary system were presented.

  19. Phase diagram and tie-line determination for the ternary mixture DOPC/eSM/cholesterol.

    Science.gov (United States)

    Bezlyepkina, N; Gracià, R S; Shchelokovskyy, P; Lipowsky, R; Dimova, R

    2013-04-02

    We propose a novel, to our knowledge, method for the determination of tie lines in a phase diagram of ternary lipid mixtures. The method was applied to a system consisting of dioleoylphosphatidylcholine (DOPC), egg sphingomyelin (eSM), and cholesterol (Chol). The approach is based on electrofusion of single- or two-component homogeneous giant vesicles in the fluid phase and analyses of the domain areas of the fused vesicle. The electrofusion approach enables us to create three-component vesicles with precisely controlled composition, in contrast to conventional methods for giant vesicle formation. The tie lines determined in the two-liquid-phase coexistence region are found to be not parallel, suggesting that the dominant mechanism of lipid phase separation in this region changes with the membrane composition. We provide a phase diagram of the DOPC/eSM/Chol mixture and predict the location of the critical point. Finally, we evaluate the Gibbs free energy of transfer of individual lipid components from one phase to the other. Copyright © 2013 Biophysical Society. Published by Elsevier Inc. All rights reserved.

  20. High-pressure magnetic phase diagram of CeP studied by neutron diffraction

    International Nuclear Information System (INIS)

    Hannan, A.; Kohgi, M.; Iwasa, K.; Osakabe, T.

    2002-01-01

    Neutron-diffraction experiments have been performed in order to clarify the magnetic structures of CeP under pressures above 1.9 GPa using a sapphire-anvil cell. The P-T phase diagram up to 2.8 GPa has been investigated. Some new phases have been found, for example the phase 2 + (↑ ↑ ↓ ↓ ↑ ↑) under the pressure of 1.9 GPa. Type-IA antiferromagnetic structure (↑ ↑ ↓ ↓) was found below 22.5 and 45 K at 1.9 and 2.2 GPa, respectively. A phase characterized by the wave vector k=1/3 and a ferromagnetic phase were observed in the pressure range 2.5-2.8 GPa. (orig.)

  1. Melt-Vapor Phase Diagram of the Te-S System

    Science.gov (United States)

    Volodin, V. N.; Trebukhov, S. A.; Kenzhaliyev, B. K.; Nitsenko, A. V.; Burabaeva, N. M.

    2018-03-01

    The values of partial pressure of saturated vapor of the constituents of the Te-S system are determined from boiling points. The boundaries of the melt-vapor phase transition at atmospheric pressure and in vacuum of 2000 and 100 Pa are calculated on the basis of partial pressures. A phase diagram that includes vapor-liquid equilibrium fields whose boundaries allow us to assess the behavior of elements upon distillation fractioning is plotted. It is established that the separation of elements is possible at the first evaporation-condensation cycle. Complications can be caused by crystallization of a sulfur solid solution in tellurium.

  2. Phase diagrams of (hexane + methanol + 2,2,2-trifluoroethanol) at three temperatures: Measurement and correlation

    Energy Technology Data Exchange (ETDEWEB)

    Kerboub, Wahiba [Crystallography-Thermodynamics Laboratory, Faculty of Chemistry, University of Sciences and Technology Houari Boumediene, P.O. Box 32 El-Alia, 16112 Bab-Ezzouar, Algiers (Algeria); Atik, Zadjia [Crystallography-Thermodynamics Laboratory, Faculty of Chemistry, University of Sciences and Technology Houari Boumediene, P.O. Box 32 El-Alia, 16112 Bab-Ezzouar, Algiers (Algeria)], E-mail: atik_zadjia@yahoo.fr

    2009-04-15

    Results from gas-liquid chromatography are presented for (liquid + liquid) equilibrium of the system of mixed solvents of (hexane + methanol + 2,2,2-trifluoroethanol) at the temperatures T = (288.15, 298.15, 303.15) K, and under atmospheric pressure. The system presents type (II) liquid-liquid phase diagram. The NRTL and UNIQUAC equations reliably represent the measured data with an average root-mean-square deviation in phase-compositions equal to 1.2%. The binary interaction parameters for the associated (nonpolar + polar) system are estimated by means of the same equations. The temperature effect on the system miscibility is reasonably important.

  3. Tuning the phase diagrams: the miscibility studies of multilactate liquid crystalline compounds

    Czech Academy of Sciences Publication Activity Database

    Bubnov, Alexej; Tykarska, M.; Hamplová, Věra; Kurp, K.

    2016-01-01

    Roč. 89, č. 9 (2016), s. 885-893 ISSN 0141-1594 R&D Projects: GA ČR GA13-14133S; GA MŠk(CZ) LD14007; GA ČR GA15-02843S Grant - others:EU - ICT (XE) COST Action IC1208 Institutional support: RVO:68378271 Keywords : miscibility study * binary mixture * polar smectic phase * lactic acid derivative * miscibility study * phase diagram * self-assembling behaviour Subject RIV: JJ - Other Materials Impact factor: 1.060, year: 2016

  4. Magnetic phase diagram of Sr1-xCaxCo2P2

    Science.gov (United States)

    Sugiyama, J.; Nozaki, H.; Umegaki, I.; Harada, M.; Higuchi, Y.; Ansaldo, E. J.; Brewer, J. H.; Imai, M.; Michioka, C.; Yoshimura, K.; Månsson, M.

    2014-12-01

    In order to study the phase diagram from a microscopic viewpoint, we have measured wTF- and ZF-μ+SR spectra for the Sr1-xCaxCo2P2 powder samples with x = 0, 0.2, 0.4, 0.5, 0.6, 0.8, and 1. Due to a characteristic time window and spatial resolution of μ+SR, the obtained phase diagram was found to be rather different from that determined by magnetization measurements. That is, as x increases from 0, a Pauli-paramagnetic phase is observed even at the lowest T measured (1.8 K) until x = 0.4, then, a spin-glass like phase appears at 0.5 detected for x = 0.8, and finally, a commensurate A-type AF ordered phase (for x = 1) is stabilized below TN ~ 80 K. Such change is most likely reasonable and connected to the shrink of the c-axis length with x, which naturally enhances the magnetic interaction between the two adjacent Co planes.

  5. APPLICATION OF VORONOI DIAGRAM TO MASK-BASED INTERCEPTING PHASE-SPACE MEASUREMENTS

    Energy Technology Data Exchange (ETDEWEB)

    Halavanau, A. [Fermilab; Ha, G. [POSTECH

    2017-05-19

    Intercepting multi-aperture masks (e.g. pepper pot or multislit mask) combined with a downstream transversedensity diagnostics (e.g. based on optical transition radiation or employing scintillating media) are commonly used for characterizing the phase space of charged particle beams and the associated emittances. The required data analysis relies on precise calculation of the RMS sizes and positions of the beamlets originated from the mask which drifted up to the analyzing diagnostics. Voronoi diagram is an efficient method for splitting a plane into subsets according to the distances between given vortices. The application of the method to analyze data from pepper pot and multislit mask based measurement is validated via numerical simulation and applied to experimental data acquired at the Argonne Wakefield Accelerator (AWA) facility. We also discuss the application of the Voronoi diagrams to quantify transverselymodulated beams distortion.

  6. Using CCT Diagrams to Optimize the Composition of an As-Rolled Dual-Phase Steel

    Science.gov (United States)

    Coldren, A. Phillip; Eldis, George T.

    1980-03-01

    A continuous-cooling transformation (CCT) diagram study was conducted for the purpose of optimizing the composition of a Mn-Si-Cr-Mo as-rolled dual-phase (ARDP) steel. The individual effects of chromium, molybdenum, and silicon on the allowable cooling rates were determined. On the basis of the CCT diagram study and other available information, an optimum composition was selected. Data from recent mill trials at three steel companies, involving steels with compositions in or near the newly recommended range, are presented and compared with earlier mill trial data. The comparison shows that the optimized composition is highly effective in making the steel's properties more uniform and reproducible in the as-rolled condition.

  7. How little data is enough? Phase-diagram analysis of sparsity-regularized X-ray computed tomography

    DEFF Research Database (Denmark)

    Jørgensen, Jakob Sauer; Sidky, E. Y.

    2015-01-01

    We introduce phase-diagram analysis, a standard tool in compressed sensing (CS), to the X-ray computed tomography (CT) community as a systematic method for determining how few projections suffice for accurate sparsity-regularized reconstruction. In CS, a phase diagram is a convenient way to study...... and express certain theoretical relations between sparsity and sufficient sampling. We adapt phase-diagram analysis for empirical use in X-ray CT for which the same theoretical results do not hold. We demonstrate in three case studies the potential of phase-diagram analysis for providing quantitative answers...... to questions of undersampling. First, we demonstrate that there are cases where X-ray CT empirically performs comparably with a near-optimal CS strategy, namely taking measurements with Gaussian sensing matrices. Second, we show that, in contrast to what might have been anticipated, taking randomized CT...

  8. Parametric diagram

    DEFF Research Database (Denmark)

    Hermund, Anders

    2010-01-01

    This paper will introduce the PhD research into applied 3d modeling and parametric design outlining the idea of a parametric diagram linked to philosophical and applied examples.......This paper will introduce the PhD research into applied 3d modeling and parametric design outlining the idea of a parametric diagram linked to philosophical and applied examples....

  9. High pressure cosmochemistry applied to major planetary interiors: Experimental studies. [phase diagram for the ammonia water system

    Science.gov (United States)

    Nicol, M. F.; Johnson, M.; Schwake, A.

    1983-01-01

    Progress is reported in the development of the P-T-X diagram for 0 less than or = X less than or = 0.50 and in the development of techniques for measuring adiabats of phases of NH3-H2O. The partial phase diagram is presented, investigations of the compositions of ammonia ices are described, and methods for obtaining the infrared spectra of ices are discussed.

  10. Dynamic vortex-phase diagram of MgB2 single crystals near the peak-effect region

    International Nuclear Information System (INIS)

    Kim, Heon-Jung; Lee, Hyun-Sook; Kang, Byeongwon; Chowdhury, P.; Kim, Kyung-Hee; Park, Min-Seok; Lee, Sung-Ik

    2006-01-01

    The dynamic vortex-phase diagram of MgB 2 single crystals has been constructed by using voltage noise characteristics. Between the onset (H on ) and the peak (H p ) magnetic fields, crossovers from a state with large noises to a noise-free state were observed with increasing current while above H p , a reverse behavior was found. We will discuss the dynamic vortex phase diagram and the possible origins of the crossovers

  11. A grand canonical genetic algorithm for the prediction of multi-component phase diagrams and testing of empirical potentials

    International Nuclear Information System (INIS)

    Tipton, William W; Hennig, Richard G

    2013-01-01

    We present an evolutionary algorithm which predicts stable atomic structures and phase diagrams by searching the energy landscape of empirical and ab initio Hamiltonians. Composition and geometrical degrees of freedom may be varied simultaneously. We show that this method utilizes information from favorable local structure at one composition to predict that at others, achieving far greater efficiency of phase diagram prediction than a method which relies on sampling compositions individually. We detail this and a number of other efficiency-improving techniques implemented in the genetic algorithm for structure prediction code that is now publicly available. We test the efficiency of the software by searching the ternary Zr–Cu–Al system using an empirical embedded-atom model potential. In addition to testing the algorithm, we also evaluate the accuracy of the potential itself. We find that the potential stabilizes several correct ternary phases, while a few of the predicted ground states are unphysical. Our results suggest that genetic algorithm searches can be used to improve the methodology of empirical potential design. (paper)

  12. A grand canonical genetic algorithm for the prediction of multi-component phase diagrams and testing of empirical potentials.

    Science.gov (United States)

    Tipton, William W; Hennig, Richard G

    2013-12-11

    We present an evolutionary algorithm which predicts stable atomic structures and phase diagrams by searching the energy landscape of empirical and ab initio Hamiltonians. Composition and geometrical degrees of freedom may be varied simultaneously. We show that this method utilizes information from favorable local structure at one composition to predict that at others, achieving far greater efficiency of phase diagram prediction than a method which relies on sampling compositions individually. We detail this and a number of other efficiency-improving techniques implemented in the genetic algorithm for structure prediction code that is now publicly available. We test the efficiency of the software by searching the ternary Zr-Cu-Al system using an empirical embedded-atom model potential. In addition to testing the algorithm, we also evaluate the accuracy of the potential itself. We find that the potential stabilizes several correct ternary phases, while a few of the predicted ground states are unphysical. Our results suggest that genetic algorithm searches can be used to improve the methodology of empirical potential design.

  13. Impact of Intragranular Substructure Parameters on the Forming Limit Diagrams of Single-Phase B.C.C. Steels

    Directory of Open Access Journals (Sweden)

    Gérald Franz

    2013-11-01

    Full Text Available An advanced elastic-plastic self-consistent polycrystalline model, accounting for intragranular microstructure development and evolution, is coupled with a bifurcation-based localization criterion and applied to the numerical investigation of the impact of microstructural patterns on ductility of single-phase steels. The proposed multiscale model, taking into account essential microstructural aspects, such as initial and induced textures, dislocation densities, and softening mechanisms, allows us to emphasize the relationship between intragranular microstructure of B.C.C. steels and their ductility. A qualitative study in terms of forming limit diagrams for various dislocation networks, during monotonic loading tests, is conducted in order to analyze the impact of intragranular substructure parameters on the formability of single-phase B.C.C. steels.

  14. Optical properties of V2O3 in its whole phase diagram

    Science.gov (United States)

    Lo Vecchio, I.; Baldassarre, L.; D'Apuzzo, F.; Limaj, O.; Nicoletti, D.; Perucchi, A.; Fan, L.; Metcalf, P.; Marsi, M.; Lupi, S.

    2015-04-01

    Vanadium sesquioxide V2O3 is considered a textbook example of Mott-Hubbard physics. In this paper, we present an extended optical study of its whole temperature/doping phase diagram as obtained by doping the pure material with M =Cr or Ti atoms (V1 -xMx )2O3 . We reveal that its thermodynamically stable metallic and insulating phases, although macroscopically equivalent, show very different low-energy electrodynamics. The Cr and Ti doping drastically change both the antiferromagnetic gap and the paramagnetic metallic properties. A slight chromium content induces a mesoscopic electronic phase separation, while the pure compound is characterized by short-lived quasiparticles at high temperature. This study thus provides a new comprehensive scenario of the Mott-Hubbard physics in the prototype compound V2O3 .

  15. Metal-Hydrogen Phase Diagrams in the Vicinity of Melting Temperatures

    Energy Technology Data Exchange (ETDEWEB)

    Shapovalov, V.I.

    1999-01-06

    Hydrogen-metal interaction phenomena belong to the most exciting challenges of today's physical metallurgy and physics of solids due to the uncommon behavior of hydrogen in condensed media and to the need for understanding hydrogen's strong negative impact on properties of some high-strength steels and.alloys. The paper cites and summarizes research data on fundamental thermodynamic characteristics of hydrogen in some metals that absorb it endothermally at elevated temperatures. For a number of metal-hydrogen systems, information on some phase diagrams previously not available to the English-speaking scientific community is presented.

  16. Interpretation of bent-crystal rocking curves using phase-space diagrams

    CERN Document Server

    Ren, B; Chapman, L D; Wu, X Y; Zhong, Z; Ivanov, I; Huang, X

    2000-01-01

    In developing a double bent-Laue crystal monochromator for synchrotron-based monochromatic computed tomography system, we applied a special projection of the phase-space diagram to interpret the shape of bent crystal rocking curves. Unlike the rigorous approach of the ray-tracing method, this graphical method provides direct pictures that allow checks of the physical significance of the shapes of the rocking curves, thereby providing quick guidelines for matching two bent crystals. The method's usefulness is demonstrated with our crexperimental results, and its limitations are discussed.

  17. Constraining the QCD phase diagram by tricritical lines at imaginary chemical potential

    CERN Document Server

    de Forcrand, Philippe

    2010-01-01

    We present unambiguous evidence from lattice simulations of QCD with three degenerate quark species for two tricritical points in the (T,m) phase diagram at fixed imaginary \\mu/T=i\\pi/3 mod 2\\pi/3, one in the light and one in the heavy mass regime. These represent the boundaries of the chiral and deconfinement critical lines continued to imaginary chemical potential, respectively. It is demonstrated that the shape of the deconfinement critical line for real chemical potentials is dictated by tricritical scaling and implies the weakening of the deconfinement transition with real chemical potential. The generalization to non-degenerate and light quark masses is discussed.

  18. Phase Diagram of A Multi-connected Superconducting Jaynes-Cummings Lattice at Commensurate and Incommensurate Fillings

    Science.gov (United States)

    Seo, Kangjun; Tian, Lin

    2015-03-01

    A multi-connected superconducting Jaynes-Cummings lattice can be constructed with alternatively-connected superconducting qubits and resonators. In a one-dimensional configuration, this model bears an intrinsic symmetry between the left and the right qubit-resonator couplings. Here we study the quantum phase transition of this model using the exact diagonalization method. At commensurate fillings, the off-diagonal long range order of the single-particle density matrix and the energy gap are calculated. We obtain the phase diagram of this model, which demonstrates a symmetry between the couplings and a reentry to the Mott insulator phase. For a system with given chemical potential, the density of the excitations contains integer-valued plateaus between critical chemical potentials that define the boundaries of different many-body phases and indicate the phase transition. We also discuss the implementation of this model with superconducting devices, including the state preparation and detection schemes. This work is supported by the NSF Award 0956064.

  19. Phase diagram of interfacial growth modes by vapor deposition and its application for ZnO nanostructures

    Science.gov (United States)

    Shu, Da-Jun; Xiong, Xiang; Liu, Ming; Wang, Mu

    2017-09-01

    Interfacial growth from vapor has been extensively studied. However, a straightforward picture of the growth mode under different growth conditions is still lacking. In this paper, we develop a comprehensive interfacial growth theory based on the stochastic approach. Using a critical interisland separation, we construct a general phase diagram of the growth modes. It has been revealed that if the Ehrlich-Schwoebel barrier EES is smaller than a critical value, the interfacial growth proceeds in a layer-by-layer (LBL) mode at any deposition rate. However, if EES is larger than the critical value, LBL growth occurs only at very small or very large deposition rates relative to the intralayer hopping rate, and multilayer (ML) growth occurs at a moderate deposition rate. Experiments with zinc oxide growth by chemical vapor deposition have been designed to qualitatively demonstrate the theoretical model. By changing the flux of the carrier gas (nitrogen gas) in chemical vapor deposition, we realize LBL, ML, and then reentrance of LBL homoepitaxial growth of ZnO successively. Moreover, we find that surface kinetics of ZnO is suppressed by decreasing oxygen partial pressure by comparing the experimental observations and theoretical models, which is supported by our recent first-principles calculations. Since the influence of the substrate and the growth species on growth can approximately be represented by binding energy and surface kinetics, we suggest that the phase diagram is essential for interfacial growth of different materials by vapor deposition.

  20. Introducing Modeling Transition Diagrams as a Tool to Connect Mathematical Modeling to Mathematical Thinking

    Science.gov (United States)

    Czocher, Jennifer A.

    2016-01-01

    This study contributes a methodological tool to reconstruct the cognitive processes and mathematical activities carried out by mathematical modelers. Represented as Modeling Transition Diagrams (MTDs), individual modeling routes were constructed for four engineering undergraduate students. Findings stress the importance and limitations of using…

  1. The Phase Diagram of Simple Metamagnets Using a Cluster Variation Method.

    Science.gov (United States)

    Ekmekci, Servet

    The Ising metamagnet is a system of Ising spins that is coupled by an antiferromagnetic interaction between the nearest neighbours and by a ferromagnetic interaction between the next nearest neighbours, or vice-versa. This model was reviewed by Kincaid and Cohen, who determined the phase diagram using mean field theory (MF). It was also treated by means of the Bethe or pair approximation by Meijer and Stamm. Kincaid and Cohen found in the MF approximation that the phase diagram changes in character when the reduced coupling constant, e lies above or below some critical value, e*. At values above e*, the second order transition line ends in a TCP point. At values below e*, the second order transition line ends in a CE point. On the other hand, the results of Meijer and Stamm show that, in the pair approximation, T* is always a critcal end point. Since the MF and pair approximations are generally regarded as particular cases of the more general cluster variation method of Kikuchi, it was important to see whether the use of clusters larger than one (MF) or two (pair approximation) sites would yield more detailed information on the nature of the end point. The method used is the natural iteration technique and the critical points are located by means of the finding the zeroes of an appropriately chosen subdeterminant of the Hessian of the free energy with respect to the cluster variables. Using the appropriate conditions for the critical points, the following results are obtained:. In the case of 2d square, when e lies in the interval, 0.25 (LESSTHEQ) (VBAR)er- (LESSTHEQ) 0.3 T* is TCP. Outside of this range, T* is a CE point. For the case of simple cubic (lattice) for which the 2d square was chosen as a basic cluster, T* was always CE point. For the first rank superstructure bcc (= 2sc) case, a tetrahedron was chosen as a basic cluster, and the result obtained was always of the TCP point type for the various values of e. For the case of the second rank superstructure

  2. Rich magnetoelectric phase diagrams of multiferroic single-crystal α -NaFeO2

    Science.gov (United States)

    Terada, Noriki; Ikedo, Yuta; Sato, Hirohiko; Khalyavin, Dmitry D.; Manuel, Pascal; Miyake, Atsushi; Matsuo, Akira; Tokunaga, Masashi; Kindo, Koichi

    2017-07-01

    The magnetic and dielectric properties of the multiferroic triangular lattice magnet compound α -NaFeO2 were studied by magnetization, specific heat, dielectric permittivity, and pyroelectric current measurements and by neutron diffraction experiments using single crystals grown by a hydrothermal synthesis method. This work produced magnetic field (in the monoclinic a b -plane, Ba b, and along the c*-axis, Bc) versus temperature magnetic phase diagrams, including five and six magnetically ordered phases in Ba b and along Bc, respectively. In zero magnetic field, two spin-density-wave orderings with different k vectors—(0 ,q ,1/2 ) in phase I and (qa,qb,qc ) in phase II—appeared at T =9.5 and 8.25 K, respectively. Below T =5 K, a commensurate order with k =(0.5 ,0 ,0.5 ) was stabilized as the ground state in phase III. Both Ba b≥3 T and Bc≥5 T were found to induce ferroelectric phases at the lowest temperature (2 K), with an electric polarization that was not confined to any highly symmetric directions in phases IVa b (3.3 ≤Ba b≤8.5 T), Va b (8.5 ≤Ba b≤13.6 T), IVc (5.0 ≤Bc≤8.5 T), and Vc (8.5 ≤Bc≤13.5 T). In phase VIc, within a narrow temperature region in Bc, the polarization was confined to the a b plane. For each of the ferroelectric phases, the k vector was (qa,qb,qc ), and noncollinear structures were identified, including a general spiral in IVa b an a b cycloid in IVc and Vc, and a proper screw in VIc, along with a triclinic 11' magnetic point group allowing polarization in the general direction. Comparing the polarization direction to the magnetic structures in the ferroelectric phases, we conclude that the extended inverse Dzyaloshinskii-Moriya mechanism expressed by the orthogonal components p1∝ri j×(Si×Sj) and p2∝Si×Sj can explain the polarization directions. Based on calculations incorporating exchange interactions up to fourth-nearest-neighbor (NN) couplings, we infer that competition among antiferromagnetic second NN

  3. Mixtures of cationic lipid O-ethylphosphatidylcholine with membrane lipids and DNA: phase diagrams.

    Science.gov (United States)

    Koynova, Rumiana; MacDonald, Robert C

    2003-10-01

    Ethylphosphatidylcholines are positively charged membrane lipid derivatives, which effectively transfect DNA into cells and are metabolized by the cells. For this reason, they are promising nonviral transfection agents. With the aim of revealing the kinds of lipid phases that may arise when lipoplexes interact with cellular lipids during DNA transfection, temperature-composition phase diagrams of mixtures of the O-ethyldipalmitoylphosphatidylcholine with representatives of the major lipid classes (phosphatidylcholine, phosphatidylethanolamine, phosphatidylglycerol, cholesterol) were constructed. Phase boundaries were determined using differential scanning calorimetry and synchrotron x-ray diffraction. The effects of ionic strength and of DNA presence were examined. A large variety of polymorphic and mesomorphic structures were observed. Surprisingly, marked enhancement of the affinity for nonlamellar phases was observed in mixtures with phosphatidylethanolamine and cholesterol as well as with phosphatidylglycerol (previously reported). Because of the potential relevance to transfection, it is noteworthy that such phases form at close to physiological conditions, and in the presence of DNA. All four mixtures exhibit a tendency to molecular clustering in the gel phase, presumably due to the specific interdigitated molecular arrangement of the O-ethyldipalmitoylphosphatidylcholine gel bilayers. It is evident that a remarkably broad array of lipid phases could arise in transfected cells and that these could have significant effects on transfection efficiency. The data may be particularly useful for selecting possible "helper" lipids in the lipoplex formulations, and in searches for correlations between lipoplex structure and transfection activity.

  4. Phase Diagram of Binary Mixture E7:TM74A Liquid Crystals

    Directory of Open Access Journals (Sweden)

    Serafin Delica

    1999-12-01

    Full Text Available Although there are many liquid crystalline materials, difficulty is often experienced in obtaining LCs that are stable and has a wide mesophase range. In this study, mixtures of two different LCs were used to formulate a technologically viable LC operating at room temperature. Nematic E7(BDH and cholesteric TM74A were mixed at different weight ratios at 10% increments. Transition temperatures were determined via Differential Scanning Calorimetry and phase identification was done using Optical Polarizing Microscopy. The phase diagram showed the existence of three different phases for the temperature range of 10-80°C. Mixtures with 0-20% E7 exhibit only the cholesteric-nematic mesophase, which could be due to the mixture's being largely TM74A and its behavior in the temperature range considered is similar to the behavior of pure TM74A. With an increase in the concentration of E7, the smectic phase of the pure cholesteric was enhanced, as seen from the increased transition to the cholesteric-nematic phase and a broader smectic range. The cholesteric-nematic to isotropic transition increased as the nematic concentration increases, following the behavior expected from LC mixtures. For mixtures that are largely nematic (more than 50% E7, the smectic phase has vanished and the cholesteric-nematic phase dominated from 30-60°C.

  5. Phase Diagram of Quaternary System NaBr-KBr-CaBr2-H2O at 323 K

    Science.gov (United States)

    Cui, Rui-Zhi; Wang, Wei; Yang, Lei; Sang, Shi-Hua

    2018-03-01

    The phase equilibria in the system NaBr-KBr-CaBr2-H2O at 323 K were studied using the isothermal dissolution equilibrium method. Using the experimental solubilities of salts data, phase diagram was constructed. The phase diagram have two invariant points, five univariant curves, and four crystallization fields. The equilibrium solid phases in the system are NaBr, NaBr · 2H2O, KBr, and CaBr2 · 4H2O. The solubilities of salts in the system at 323 K were calculated by Pitzer's equation. There is shown that the calculated solubilities agree well with experimental data.

  6. Phase Diagram and Breathing Dynamics of Red Blood Cell Motion in Shear Flow

    Science.gov (United States)

    Bagchi, Prosenjit; Yazdani, Alireza

    2011-11-01

    We present phase diagrams of red blood cell dynamics in shear flow using three-dimensional numerical simulations. By considering a wide range of shear rate and interior-to-exterior fluid viscosity ratio, it is shown that the cell dynamics is often more complex than the well-known tank-treading, tumbling and swinging motion, and is characterized by an extreme variation of the cell shape. We identify such complex shape dynamics as `breathing' dynamics. During the breathing motion, the cell either completely aligns with the flow direction and the membrane folds inward forming two cusps, or, it undergoes large swinging motion while deep, crater-like dimples periodically emerge and disappear. At lower bending rigidity, the breathing motion occurs over a wider range of shear rates, and is often characterized by the emergence of a quad-concave shape. The effect of the breathing dynamics on the tank-treading-to-tumbling transition is illustrated by detailed phase diagrams which appear to be more complex and richer than those of vesicles. In a remarkable departure from classical theory of nondeformable cells, we find that there exists a critical viscosity ratio below which the transition is dependent on shear rate only. Supported by NSF.

  7. Phase diagram of a diluted surface of a disordered Ising film

    International Nuclear Information System (INIS)

    Bengrine, M.; Benyoussef, A.; Ez-Zahraouy, H.; Mhirech, F.

    1998-09-01

    The effects of amorphized film and diluted surface on phase diagrams and magnetic properties of a spin-1/2 Ising film are investigated within a finite cluster approximation. Depending on the value of the concentration p of the dilution couplings at the surface, it is found that there exists a critical value p c , when increasing the thickness of the film the critical temperature T c decreases for p greater than p c , while it increases for p less than p c . Moreover, the critical concentration depends on the amorphization δ. Indeed, p c increasing with increasing δ. Besides, the phase diagram represented in (T c ,α), where α represents the strength of the strong coupling at the surface, shows that there exists a critical value of the amorphization δ c =δ c (p) for p not= 1, for δ≤δ c (p) a long range order occurs for any value of α at low temperature, while for δ>δ c (p) an order-disorder transition occurs at T=0 and α=α c (δ). Magnetization is calculated as a function of the amorphization δ, the concentration p and the strength α of the strong coupling. (author)

  8. New Wang-Landau approach to obtain phase diagrams for multicomponent alloys

    Science.gov (United States)

    Takeuchi, Kazuhito; Tanaka, Ryohei; Yuge, Koretaka

    2017-10-01

    We develop an approach to apply the Wang-Landau algorithm to multicomponent alloys in a semi-grand-canonical ensemble. Although the Wang-Landau algorithm has great advantages over conventional sampling methods, there are few applications to alloys. This is because calculating compositions in a semi-grand-canonical ensemble via the Wang-Landau algorithm requires a multidimensional density of states in terms of total energy and compositions, and constructing it is difficult from the viewpoints of both implementation and computational cost. In this study, we develop a simple approach to calculate the alloy phase diagram based on the Wang-Landau algorithm, and show that a number of one-dimensional densities of states could lead to compositions in a semi-grand-canonical ensemble as a multidimensional density of states could. Finally, we apply the present method to Cu-Au and Pd-Rh alloys and confirm that the present method successfully describes the phase diagram with high efficiency, validity, and accuracy.

  9. Bifurcation and phase diagram of turbulence constituted from three different scale-length modes

    International Nuclear Information System (INIS)

    Itoh, S.-I.; Kitazawa, A.; Yagi, M.; Itoh, K.

    2002-04-01

    Cases where three kinds of fluctuations having the different typical scale-lengths coexist are analyzed, and the statistical theory of strong turbulence in inhomogeneous plasmas is developed. Statistical nonlinear interactions between fluctuations are kept in the analysis as the renormalized drag, statistical noise and the averaged drive. The nonlinear interplay through them induces a quenching or suppressing effect, even if all the modes are unstable when they are analyzed independently. Variety in mode appearance takes place: one mode quenches the other two modes, or one mode is quenched by the other two modes, etc. The bifurcation of turbulence is analyzed and a phase diagram is drawn. Phase diagrams with cusp type catastrophe and butterfly type catastrophe are obtained. The subcritical bifurcation is possible to occur through the nonlinear interplay, even though each one is supercritical turbulence when analyzed independently. Analysis reveals that the nonlinear stability boundary (marginal point) and the amplitude of each mode may substantially shift from the conventional results of independent analyses. (author)

  10. Phase diagrams and switching of voltage and magnetic field in dilute magnetic semiconductor nanostructures

    Energy Technology Data Exchange (ETDEWEB)

    Escobedo, R. [Departamento de Matematica Aplicada y Ciencias de la Computacion, Universidad de Cantabria, 39005 Santander (Spain); Carretero, M.; Bonilla, L.L. [G. Millan Institute, Fluid Dynamics, Nanoscience and Industrial Maths., Universidad Carlos III de Madrid, 28911 Leganes (Spain); Unidad Asociada al Instituto de Ciencia de Materiales, CSIC, 28049 Cantoblanco, Madrid (Spain); Platero, G. [Instituto de Ciencia de Materiales, CSIC, 28049 Cantoblanco, Madrid (Spain)

    2010-04-15

    The response of an n-doped dc voltage biased II-VI multi-quantum well dilute magnetic semiconductor nanostructure having its first well doped with magnetic (Mn) impurities is analyzed by sweeping wide ranges of both the voltage and the Zeeman level splitting induced by an external magnetic field. The level splitting versus voltage phase diagram shows regions of stable self-sustained current oscillations immersed in a region of stable stationary states. Transitions between stationary states and self-sustained current oscillations are systematically analyzed by both voltage and level splitting abrupt switching. Sudden voltage or/and magnetic field changes may switch on current oscillations from an initial stationary state, and reciprocally, current oscillations may disappear after sudden changes of voltage or/and magnetic field changes into the stable stationary states region. The results show how to design such a device to operate as a spin injector and a spin oscillator by tuning the Zeeman splitting (through the applied external magnetic field), the applied voltage and the sample configuration parameters (doping density, barrier and well widths, etc.) to select the desired stationary or oscillatory behavior. Phase diagram of Zeeman level splitting {delta} vs. dimensionless applied voltage {phi} for N = 10 QWs. White region: stable stationary states; black: stable self-sustained current oscillations. (copyright 2010 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

  11. Structural Phase Diagram for Multi-lamellar Tubular Deformations of Lipid Mesophases

    Science.gov (United States)

    Tayebi, Lobat; Parikh, Atul

    2011-03-01

    Stable multi-lamellar cylindrical tubules protrude readily from concentrated mass of amphiphilic molecules in response to a variety of external stresses. Using energetic considerations, we have developed an phase diagram, predicting various types of morphologies of equilibrium multilamellar tubular deformations that stabilize for a broad range of their bending rigidity and surface tension values. Tubular morphologies are described in terms of core radius(rc) and number of lamellae(N). Results of the calculations reveal that emergent tubular morphologies can be classified into three major classes: (1) thin tethers (small rc and low N); (2) solid tubes (high N); and (3) hollow tubes (large rc and and low N). Experimental validation of these predictions is obtained in experiments involving hydration of dry stack lipids Here, tubular deformations, referred to as myelin figures, of all predicted morphologies form in separate populations. Furthermore, the phase diagram also sheds light on a long-standing question of the determinants of the thickness of such myelin figures.

  12. Bounds and phase diagram of efficiency at maximum power for tight-coupling molecular motors.

    Science.gov (United States)

    Tu, Z C

    2013-02-01

    The efficiency at maximum power (EMP) for tight-coupling molecular motors is investigated within the framework of irreversible thermodynamics. It is found that the EMP depends merely on the constitutive relation between the thermodynamic current and force. The motors are classified into four generic types (linear, superlinear, sublinear, and mixed types) according to the characteristics of the constitutive relation, and then the corresponding ranges of the EMP for these four types of molecular motors are obtained. The exact bounds of the EMP are derived and expressed as the explicit functions of the free energy released by the fuel in each motor step. A phase diagram is constructed which clearly shows how the region where the parameters (the load distribution factor and the free energy released by the fuel in each motor step) are located can determine whether the value of the EMP is larger or smaller than 1/2. This phase diagram reveals that motors using ATP as fuel under physiological conditions can work at maximum power with higher efficiency (> 1/2) for a small load distribution factor (< 0.1).

  13. Effects of the randomly distributed magnetic field on the phase diagrams of the Ising Nanowire II: Continuous distributions

    International Nuclear Information System (INIS)

    Akıncı, Ümit

    2012-01-01

    The effect of the random magnetic field distribution on the phase diagrams and ground state magnetizations of the Ising nanowire has been investigated with effective field theory with correlations. Gaussian distribution has been chosen as a random magnetic field distribution. The variation of the phase diagrams with that distribution parameters has been obtained and some interesting results have been found such as disappearance of the reentrant behavior and first order transitions which appear in the case of discrete distributions. Also for single and double Gaussian distributions, ground state magnetizations for different distribution parameters have been determined which can be regarded as separate partially ordered phases of the system. - Highlights: ► We give the phase diagrams of the Ising nanowire under the continuous randomly distributed magnetic field. ► Ground state magnetization values obtained. ► Different partially ordered phases observed.

  14. Phase diagram of dense two-color QCD within lattice simulations

    Directory of Open Access Journals (Sweden)

    Braguta V.V.

    2017-01-01

    Full Text Available We present the results of a low-temperature scan of the phase diagram of dense two-color QCD with Nf = 2 quarks. The study is conducted using lattice simulation with rooted staggered quarks. At small chemical potential we observe the hadronic phase, where the theory is in a confining state, chiral symmetry is broken, the baryon density is zero and there is no diquark condensate. At the critical point μ = mπ/2 we observe the expected second order transition to Bose-Einstein condensation of scalar diquarks. In this phase the system is still in confinement in conjunction with nonzero baryon density, but the chiral symmetry is restored in the chiral limit. We have also found that in the first two phases the system is well described by chiral perturbation theory. For larger values of the chemical potential the system turns into another phase, where the relevant degrees of freedom are fermions residing inside the Fermi sphere, and the diquark condensation takes place on the Fermi surface. In this phase the system is still in confinement, chiral symmetry is restored and the system is very similar to the quarkyonic state predicted by SU(Nc theory at large Nc.

  15. Segregation of receptor-ligand complexes in cell adhesion zones: phase diagrams and the role of thermal membrane roughness

    Science.gov (United States)

    Różycki, B.; Lipowsky, R.; Weikl, T. R.

    2010-09-01

    The adhesion zone of immune cells, the 'immunological synapse', exhibits characteristic domains of receptor-ligand complexes. The domain formation is probably caused by a length difference of the receptor-ligand complexes, and has been investigated in experiments in which T cells adhere to supported membranes with anchored ligands. For supported membranes with two types of anchored ligands, MHCp and ICAM1, which bind to the T-cell receptor (TCR) and the receptor LFA1 in the cell membrane, the coexistence of domains of the TCR-MHCp and LFA1-ICAM1 complexes in the cell adhesion zone has been observed for a wide range of ligand concentrations and affinities. For supported membranes with long and short ligands that bind to the same cell receptor CD2, in contrast, domain coexistence has been observed for a quite narrow ratio of ligand concentrations. In this paper, we determine detailed phase diagrams for cells adhering to supported membranes with a statistical-physical model of cell adhesion. We find a characteristic difference between the adhesion scenarios in which two types of ligands in a supported membrane bind (i) to the same cell receptor or (ii) to two different cell receptors, which helps us to explain the experimental observations. Our phase diagrams fully include thermal shape fluctuations of the cell membranes on nanometer scales, which lead to a critical point for the domain formation and to a cooperative binding of the receptors and ligands.

  16. Magnetic structures, phase diagram and spin waves of magneto-electric LiNiPO4

    DEFF Research Database (Denmark)

    Jensen, Thomas Bagger Stibius

    2007-01-01

    LiNiPO4 is a magneto-electric material, having co-existing antiferromagnetic and ferroelectric phases when suitable magnetic fields are applied at low temperatures. Such systems have received growing interest in recent years, but the nature of the magneticelectric couplings is yet to be fully...... understand. Hopefully, studying LiNiPO4 will shed further light on the subject, especially since the crystal structure of LiNiPO4 is rather simple compared to most relevant multiferroic materials. Although the study of the magnetic-electric couplings is of main interest to the many scientists guiding me...... through the last three years, it is not the primary subject of this thesis. The objective of the phD project has been to provide groundwork that may be beneficiary to future studies of LiNiPO4. More specifically, we have mapped out the magnetic HT phase diagram with magnetic fields below 14.7 T applied...

  17. Thermodynamic studies of mixtures for topical anesthesia: Lidocaine-salol binary phase diagram

    Energy Technology Data Exchange (ETDEWEB)

    Lazerges, Mathieu [Laboratoire de Chimie Physique (EA 4066), Faculte des Sciences Pharmaceutiques et Biologiques, Universite Paris Descartes, 4 Avenue de l' Observatoire, 75270 Paris Cedex 06 (France); Rietveld, Ivo B., E-mail: ivo.rietveld@parisdescartes.fr [Laboratoire de Chimie Physique (EA 4066), Faculte des Sciences Pharmaceutiques et Biologiques, Universite Paris Descartes, 4 Avenue de l' Observatoire, 75270 Paris Cedex 06 (France); Corvis, Yohann; Ceolin, Rene; Espeau, Philippe [Laboratoire de Chimie Physique (EA 4066), Faculte des Sciences Pharmaceutiques et Biologiques, Universite Paris Descartes, 4 Avenue de l' Observatoire, 75270 Paris Cedex 06 (France)

    2010-01-10

    The lidocaine-salol binary system has been investigated by differential scanning calorimetry, direct visual observations, and X-ray powder diffraction, resulting in a temperature-composition phase diagram with a eutectic equilibrium. The eutectic mixture, found at 0.423 {+-} 0.007 lidocaine mole-fraction, melts at 18.2 {+-} 0.5 {sup o}C with an enthalpy of 17.3 {+-} 0.5 kJ mol{sup -1}. This indicates that the liquid phase around the eutectic composition is stable at room temperature. Moreover, the undercooled liquid mixture does not easily crystallize. The present binary mixture exhibits eutectic behavior similar to the prilocaine-lidocaine mixture in the widely used EMLA topical anesthetic preparation.

  18. Phase diagram of alkali-doped fullerides: A rotationally-invariant slave-boson perspective

    Science.gov (United States)

    Isidori, Aldo; Capone, Massimo

    We study the phase diagram of alkali-doped fullerides (A3C60 with A = K , Rb , Cs) as a function of the local Coulomb interaction U and the phonon-mediated Jahn-Teller coupling J for various levels of electron filling. In these materials, the Jahn-Teller coupling between electrons and the vibrational modes of the C60 molecules effectively reverses the sign of the Hund's coupling, providing a source for a local s-wave pairing mechanism. Using the rotationally-invariant slave-boson formalism we investigate the phase transitions between metallic (superconducting) states and different types of Mott insulating states at either large U or large J, revealing a correlation-induced enhancement of superconductivity in proximity of the Mott localization mechanism. A. I. acknowledges financial support from the European Research Council via the ERC-2015-AdG FIRSTORM.

  19. Experimental investigation and thermodynamic prediction of the Bi-Sb-Zn phase diagram

    Energy Technology Data Exchange (ETDEWEB)

    Minic, Dusko, E-mail: dminic65@nadlanu.com [University of Pristina, Faculty of Technical Sciences, 38220 Kosovska Mitrovica (Serbia); Dokic, Jelena [University of Pristina, Faculty of Technical Sciences, 38220 Kosovska Mitrovica (Serbia); Cosovic, Vladan; Stajic-Trosic, Jasna [Institute of Chemistry, Tehnology and Metallurgy, Njegoseva 12, 11000 Belgrade (Serbia); Zivkovic, Dragana [University of Belgrade, Technical Faculty, VJ 12, 19210 Bor (Serbia); Dervisevic, Irma [University of Pristina, Faculty of Technical Sciences, 38220 Kosovska Mitrovica (Serbia)

    2010-07-01

    Phase diagram of the ternary Bi-Sb-Zn system was investigated experimentally by DTA and SEM-EDS methods and analytically by CALPHAD method. The liquidus projection, invariant equilibria, several vertical sections and isothermal section at 300 {sup o}C were predicted using COST 531 thermodynamic database. Phase transition temperatures of alloys along three predicted vertical sections of the Bi-Sb-Zn ternary system with molar ratio Bi:Sb = 1, Bi:Zn = 1 and Sb:Zn = 1, were measured by differential thermal analysis (DTA). Predicted isothermal section at 300 {sup o}C was compared with the results of the scanning electron microscope (SEM) with energy dispersive spectrometry (EDS) analysis from this work.

  20. Systems for storage and retrieval of thermochemical data and calculation of phase diagrams

    International Nuclear Information System (INIS)

    Kaufman, L.; Nesor, H.

    1976-01-01

    The systems developed by National Physical Laboratory and ManLabs have been coupled to provide a Metallurgical Thermochemical Data Bank for storage and retrieval of data and calculation of binary and ternary phase diagrams. Approximately two thousand sets for pure elements and compounds are stored providing thermodynamic functions and differences for specific reactions in numerical form. Vapor pressure data for gaseous products and solubility data for gases in metals and dilute alloys covering the Henrian range can be retrieved. Similar data for dilute solutions of metals in pure metals and binary alloys is also accessible. The system can also be used to compute all of the forty-five binary systems composed of the metals iron, chromium, nickel, cobalt, aluminum, niobium, molybdenum, titanium, carbon, and tungsten. This facility is available through explicit descriptions of solution and compound phases generated in terms of lattice stability, solution and compound phase parameter which are employed to calculate the phase diagrams and thermochemical properties of the binary systems. The system can be used for calculation of the one hundred twenty possible ternary systems composed of these metals over a wide range of temperature. The system operates on data supplied by the user so that other inorganic, ceramic, and metallic combinations can be considered. The ManLabs-NPL MATERIALS DATABANK is accessible via TSO (time sharing option) through standard teletype terminals which can be connected into the main computer by telephone anywhere in the U. S. and Canada. Users can employ almost any commercial terminal to gain access to the system and interact with the DATABANK

  1. Combining Decision Diagrams and SAT Procedures for Efficient Symbolic Model Checking

    DEFF Research Database (Denmark)

    Williams, Poul Frederick; Biere, Armin; Clarke, Edmund M.

    2000-01-01

    In this paper we show how to do symbolic model checking using Boolean Expression Diagrams (BEDs), a non-canonical representation for Boolean formulas, instead of Binary Decision Diagrams (BDDs), the traditionally used canonical representation. The method is based on standard fixed point algorithms...

  2. Finite size and Coulomb corrections: from nuclei to nuclear liquid vapor phase diagram

    International Nuclear Information System (INIS)

    Moretto, L.G.; Elliott, J.B.; Phair, L.

    2003-01-01

    In this paper we consider the problem of obtaining the infinite symmetric uncharged nuclear matter phase diagram from a thermal nuclear reaction. In the first part we shall consider the Coulomb interaction which, because of its long range makes the definition of phases problematic. This Coulomb effect seems truly devastating since it does not allow one to define nuclear phase transitions much above A ∼ 30. However there may be a solution to this difficulty. If we consider the emission of particles with a sizable charge, we notice that a large Coulomb barrier Bc is present. For T << Bc these channels may be considered effectively closed. Consequently the unbound channels may not play a role on a suitably short time scale. Then a phase transition may still be definable in an approximate way. In the second part of the article we shall deal with the finite size problem by means of a new method, the complement method, which shall permit a straightforward extrapolation to the infinite system. The complement approach consists of evaluating the change in free energy occurring when a particle or cluster is moved from one (finite) phase to another. In the case of a liquid drop in equilibrium with its vapor, this is done by extracting a vapor particle of any given size from the drop and evaluating the energy and entropy changes associated with both the vapor particle and the residual liquid drop (complement)

  3. Thermochemical measurements and assessment of the phase diagrams in the system Y-Ba-Cu-O

    International Nuclear Information System (INIS)

    Boudene, A.; Mohammad, A.

    1996-01-01

    The aim of this project was to provide a self-consistent set of Gibbs energy data for all phases in the system Y-Ba-Cu-O. Experimental thermochemical investigations by differential thermal analysis (DTA), thermogravimetry (TG), electromotive force measurements (EMF), oxygen coulometric titration (OCT), drop and solution calorimetry, and conventional phase analysis (annealing, quenching, and X-ray diffraction [XRD]) as well as ab initio calculations of interaction energies for the 123 phase have been carried out. The experimental information (phase equilibria, heat capacity, enthalpies of formation, oxygen partial pressures, and so forth) has been used in computer-based assessments of the Gibbs energies. These data have been employed to generate phase diagrams by way of equilibrium computations. All binary and ternary subsystems have been fully assessed. For the quaternary system a dataset covering the subsolidus range has been derived. Applications of the data to practical questions, such as the production of 123 superconductors by an MOCVD process, the producibility of metallic precursors, and the oxidation of a copper-enriched stoichiometric oxide precursor, are demonstrated

  4. Reduced temperature phase diagrams of the silver-rare earths binary systems

    International Nuclear Information System (INIS)

    Ferro, R.; Delfino, S.; Capelli, R.; Borsese, A.

    1975-01-01

    Phase equilibria of the silver-rare earth binary systems have been reported in ''reduced temperature'' diagrams (the ''reduced temperature'' being defined as the ratio between a characteristic temperature of the Agsub(x)R.E. phase and the melting temperature of the corresponding R.E. metal, both in 0 K). The smooth trends of the various characteristic reduced temperatures, when plotted against the R.E. atomic number, have been demonstrated. On passing from the light- to the heavy-rare-earths, a correlation has been found between the crossing of these curves and other phenomena, such as the disappearing of the Ag 5 R.E. phases from incongruently, to congruently melting compounds. The trends of the reduced-temperature curves have been briefly discussed in terms of the treatment suggested by Gschneidner together with the volumetric data known for the different Agsub(x)R.E. phases. In addition, the characteristic data of the 1:1 AgR.E. compounds have been compared with those of the analogous AuR.E. phases. (Auth.)

  5. Phase diagram of germanium telluride encapsulated in carbon nanotubes from first-principles searches

    Science.gov (United States)

    Wynn, Jamie M.; Medeiros, Paulo V. C.; Vasylenko, Andrij; Sloan, Jeremy; Quigley, David; Morris, Andrew J.

    2017-12-01

    Germanium telluride has attracted great research interest, primarily because of its phase-change properties. We have developed a general scheme, based on the ab initio random structure searching (AIRSS) method, for predicting the structures of encapsulated nanowires, and using this we predict a number of thermodynamically stable structures of GeTe nanowires encapsulated inside carbon nanotubes of radii under 9 Å . We construct the phase diagram of encapsulated GeTe, which provides quantitative predictions about the energetic favorability of different filling structures as a function of the nanotube radius, such as the formation of a quasi-one-dimensional rock-salt-like phase inside nanotubes of radii between 5.4 and 7.9 Å . Simulated TEM images of our structures show excellent agreement between our results and experimental TEM imagery. We show that, for some nanotubes, the nanowires undergo temperature-induced phase transitions from one crystalline structure to another due to vibrational contributions to the free energy, which is a first step toward nano-phase-change memory devices.

  6. Low temperature thermodynamic investigation of the phase diagram of Sr3Ru2O7

    Science.gov (United States)

    Sun, D.; Rost, A. W.; Perry, R. S.; Mackenzie, A. P.; Brando, M.

    2018-03-01

    We studied the phase diagram of Sr3Ru2O7 by means of heat capacity and magnetocaloric effect measurements at temperatures as low as 0.06 K and fields up to 12 T. We confirm the presence of a new quantum critical point at 7.5 T which is characterized by a strong non-Fermi-liquid behavior of the electronic specific heat coefficient Δ C /T ˜-logT over more than a decade in temperature, placing strong constraints on theories of its criticality. In particular logarithmic corrections are found when the dimension d is equal to the dynamic critical exponent z , in contrast to the conclusion of a two-dimensional metamagnetic quantum critical end point, recently proposed. Moreover, we achieved a clear determination of the new second thermodynamic phase adjoining the first one at lower temperatures. Its thermodynamic features differ significantly from those of the dominant phase and characteristics expected of classical equilibrium phase transitions are not observed, indicating fundamental differences in the phase formation.

  7. The isothermal section (500 C) of the Gd-Cu-Ni ternary phase diagram

    Energy Technology Data Exchange (ETDEWEB)

    Zhou Huaiying [Guangxi Univ., Nanning (China). Mater. Sci. Inst.; Zhuang Yinghong [Guangxi Univ., Nanning (China). Mater. Sci. Inst.; Gu Zhengfei [Guilin Electrical Equipment Scientific Research Institute, Guilin (China)

    1995-04-15

    The isothermal section (500 C) of the Gd-Cu-Ni ([Gd]{<=}33.3 at.%) ternary phase diagram was determined using differential thermal analysis, optical microscopy, X-ray diffraction and electron microprobe techniques. This partial isothermal section consists of 12 single-phase regions, 24 two-phase regions and 12 three-phase regions. The 12 single-phase regions include one ternary compound (Gd(Cu{sub 1-x}Ni{sub x}){sub 3}, x=0.2-0.46), four Gd-Cu compounds (GdCu{sub 2}, Gd{sub 2}Cu{sub 9}, GdCu{sub 5}, GdCu{sub 6}), six Gd-Ni compounds (GdNi{sub 2}, GdNi{sub 3}, Gd{sub 2}Ni{sub 7}, GdNi{sub 4}, GdNi{sub 5}, Gd{sub 2}Ni{sub 17}) and the {alpha}-(Cu,Ni) solid solution. ((orig.))

  8. Separating the effects of repulsive and attractive forces on the phase diagram, interfacial, and critical properties of simple fluids.

    Science.gov (United States)

    Fuentes-Herrera, M; Moreno-Razo, J A; Guzmán, O; López-Lemus, J; Ibarra-Tandi, B

    2016-06-07

    Molecular simulations in the canonical and isothermal-isobaric ensembles were performed to study the effect of varying the shape of the intermolecular potential on the phase diagram, critical, and interfacial properties of model fluids. The molecular interactions were modeled by the Approximate Non-Conformal (ANC) theory potentials. Unlike the Lennard-Jones or Morse potentials, the ANC interactions incorporate parameters (called softnesses) that modulate the steepness of the potential in their repulsive and attractive parts independently. This feature allowed us to separate unambiguously the role of each region of the potential on setting the thermophysical properties. In particular, we found positive linear correlation between all critical coordinates and the attractive and repulsive softness, except for the critical density and the attractive softness which are negatively correlated. Moreover, we found that the physical properties related to phase coexistence (such as span of the liquid phase between the critical and triple points, variations in the P-T vaporization curve, interface width, and surface tension) are more sensitive to changes in the attractive softness than to the repulsive one. Understanding the different roles of attractive and repulsive forces on phase coexistence may contribute to developing more accurate models of liquids and their mixtures.

  9. Dynamic phase diagrams of a cylindrical Ising nanowire in the presence of a time dependent magnetic field

    International Nuclear Information System (INIS)

    Kantar, Ersin; Ertaş, Mehmet; Keskin, Mustafa

    2014-01-01

    The dynamic phase diagrams of a cylindrical Ising nanowire in the presence of a time dependent magnetic field are obtained by using the effective-field theory with correlations based on the Glauber-type stochastic dynamics. According to the values of interaction parameters, a number of interesting properties have been found in the dynamic phase diagrams, such as many dynamic critical points (tricritical point, double critical end point, critical end point, zero temperature critical point, multicritical point, tetracritical point, and triple point) as well as reentrant phenomena. - Highlights: • The cylindrical Ising nanowire is investigated within the Glauber dynamics based on EFT. • The time variations of average order parameters to find phases are studied. • The dynamic phase diagrams are found for the different interaction parameters. • The system displays the critical points as well as a reentrant behavior

  10. Dynamic phase diagrams of a cylindrical Ising nanowire in the presence of a time dependent magnetic field

    Energy Technology Data Exchange (ETDEWEB)

    Kantar, Ersin; Ertaş, Mehmet, E-mail: mehmetertas@erciyes.edu.tr; Keskin, Mustafa

    2014-06-01

    The dynamic phase diagrams of a cylindrical Ising nanowire in the presence of a time dependent magnetic field are obtained by using the effective-field theory with correlations based on the Glauber-type stochastic dynamics. According to the values of interaction parameters, a number of interesting properties have been found in the dynamic phase diagrams, such as many dynamic critical points (tricritical point, double critical end point, critical end point, zero temperature critical point, multicritical point, tetracritical point, and triple point) as well as reentrant phenomena. - Highlights: • The cylindrical Ising nanowire is investigated within the Glauber dynamics based on EFT. • The time variations of average order parameters to find phases are studied. • The dynamic phase diagrams are found for the different interaction parameters. • The system displays the critical points as well as a reentrant behavior.

  11. Correlation between viscous-flow activation energy and phase diagram in four systems of Cu-based alloys

    Energy Technology Data Exchange (ETDEWEB)

    Ning Shuang [Key Laboratory of Liquid Structure and Heredity of Materials, Ministry of Education, Shandong University, Jinan 250061 (China); Bian Xiufang, E-mail: xfbian@sdu.edu.c [Key Laboratory of Liquid Structure and Heredity of Materials, Ministry of Education, Shandong University, Jinan 250061 (China); Ren Zhenfeng [Key Laboratory of Liquid Structure and Heredity of Materials, Ministry of Education, Shandong University, Jinan 250061 (China)

    2010-09-01

    Activation energy is obtained from temperature dependence of viscosities by means of a fitting to the Arrhenius equation for liquid alloys of Cu-Sb, Cu-Te, Cu-Sn and Cu-Ag systems. We found that the changing trend of activation energy curves with concentration is similar to that of liquidus in the phase diagrams. Moreover, a maximum value of activation energy is in the composition range of the intermetallic phases and a minimum value of activation energy is located at the eutectic point. The correlation between the activation energy and the phase diagrams has been further discussed.

  12. Automated Generation of Phase Diagrams for Binary Systems with Azeotropic Behavior

    DEFF Research Database (Denmark)

    Cismondi, Martin; Michelsen, Michael Locht; Zabaloy, Marcelo S.

    2008-01-01

    , one of the previously identified AEPs. We calculate the azeotropic lines using a numerical continuation method that solves the nonlinear azeotropic system of equations under a range of conditions and efficiently tracks entire azeotropic curves. We have integrated our strategy for calculating......In this work, we propose a computational strategy and methods for the automated calculation of complete loci of homogeneous azeotropy of binary mixtures and the related Pxy and Txy diagrams for models of the equation-of-state (EOS) type. The strategy consists of first finding the system...

  13. A partial phase diagram of Pt-rich Pt-Mn alloys

    CERN Document Server

    Sembiring, T; Ohshima, K I; Ota, K; Shishido, T

    2002-01-01

    We have performed the X-ray and electron diffraction studies to reconstruct a partial phase diagram of Pt-rich Pt-Mn alloys in the composition range of 10 to 35 at.% Mn. Electrical resistivity measurement was also used for determining the order-disorder transition temperature in Pt-14.2 at.% Mn alloy. The phase boundary between Cu sub 3 Au type and ABC sub 6 type ordered structures is established, in which the latter has been found recently by the present [J.Phys. Soc. Jpn. 71 (2002) 681]. In the ABC sub 6 type ordered phase, superlattice reflections both at 1/2 1/2 1/2 and its equivalent position (L-point) and at 100, 110 and their equivalent positions (X-point) appear in the composition range from 12.5 to 14.4 at.% Mn below 682degC. In the Cu sub 3 Au type ordered phase, diffuse maxima at L-point appear in the composition range from 15.9 to 19.7 at.% Mn in addition to the superlattice reflections at X-point. The Cu sub 3 Au type ordered structure is found to be stable in the composition range from 19.7 to 3...

  14. From zirconia to yttria: Sampling the YSZ phase diagram using sputter-deposited thin films

    Directory of Open Access Journals (Sweden)

    Thomas Götsch

    2016-02-01

    Full Text Available Yttria-stabilized zirconia (YSZ thin films with varying composition between 3 mol% and 40 mol% have been prepared by direct-current ion beam sputtering at a substrate temperature of 300 °C, with ideal transfer of the stoichiometry from the target to the thin film and a high degree of homogeneity, as determined by X-ray photoelectron and energy-dispersive X-ray spectroscopy. The films were analyzed using transmission electron microscopy, revealing that, while the films with 8 mol% and 20 mol% yttria retain their crystal structure from the bulk compound (tetragonal and cubic, respectively, those with 3 mol% and 40 mol% Y2O3 undergo a phase transition upon sputtering (from a tetragonal/monoclinic mixture to purely tetragonal YSZ, and from a rhombohedral structure to a cubic one, respectively. Selected area electron diffraction shows a strong texturing for the three samples with lower yttria-content, while the one with 40 mol% Y2O3 is fully disordered, owing to the phase transition. Additionally, AFM topology images show somewhat similar structures up to 20 mol% yttria, while the specimen with the highest amount of dopant features a lower roughness. In order to facilitate the discussion of the phases present for each sample, a thorough review of previously published phase diagrams is presented.

  15. Phase diagram of the layered oxide SnO: GW and electron-phonon studies

    Science.gov (United States)

    Chen, Peng-Jen; Jeng, Horng-Tay

    2015-11-01

    First-principles calculations are performed to study the electronic properties and the electron-phonon interactions of the layered oxide semiconductor SnO. In addition to the high hole mobility that makes SnO a promising material in electronics, it has recently been reported that the semimetallic phase under pressure is superconducting. The superconducting Tc curve exhibits a dome-like feature under pressure and reaches the maximum of 1.4 K at p = 9.2 GPa. Both its crystal structure and the dome-like Tc curve are reminiscent of the Fe-based superconductor FeSe. Motivated by this observation, we investigate the electronic, phonon, and their interactions in SnO using first-principles schemes. GW approximation is adopted to correct the underestimated band gaps, including real and continuous band gaps in the semiconducting and semimetallic phases. The phase diagram showing the semiconductor-to-semimetal transition and the Tc curve has been successfully reproduced. Detailed analysis of the electron-phonon interactions demonstrate the importance of the out-of-plane motions of O atoms and the Sn-s lone pairs for the superconductivity to occur. Our method combining GW and e-ph calculations can be further extended to the study of other materials that undergo insulator-to-superconductor phase transition.

  16. Pressure-temperature phase diagram of SeO2. Characterization of new phases

    International Nuclear Information System (INIS)

    Orosel, D.; Leynaud, O.; Balog, P.; Jansen, M.

    2004-01-01

    We have investigated SeO 2 at high pressures and high temperatures. Two new phases (β-SeO 2 and γ-SeO 2 ) and the boundary separating them have been found, following experimental runs performed at pressures up to 15 GPa and temperatures up to 820 deg. C. The two phases crystallize in the orthorhombic system in space group Pmc2 1 (no. 26) with a=5.0722(1) A, b=4.4704(1) A, c=7.5309(2) A, V=170.760(9) A 3 and Z=4 for the β-phase, and with a=5.0710(2) A, b=4.4832(2) A, c=14.9672(6) A, V=340.27(3) A 3 and Z=8 for the γ-phase. Both phases are stable at ambient pressure and temperature below -30 deg. C. At ambient temperature the phases return to the starting phase (α-SeO 2 ) in a few days. We discuss our findings in relation to a previous report of in-situ measurements at high pressures and ambient temperature

  17. Phase diagram and Chiral Magnetic Effect in Dirac Semimetals from Lattice Simulation

    Directory of Open Access Journals (Sweden)

    Boyda D.L.

    2018-01-01

    Full Text Available Dirac Semimetals Na3Bi and Cd3As2 are recently discovered materials, which low energy electronic spectrum is described by two flavours of massless 3+1D fermions. In order to study electronic properties of these materials we formulated lattice field theory with rooted staggered fermions on anisotropic lattice. It is shown that in the limit of zero temporal lattice spacing this theory reproduces effective theory of Dirac semimetals. Using the lattice field theory we study the phase diagram of Dirac semimetals in the plane effective coupling constant - Fermi velocity anisotropy. We also measure conductivity of Dirac Semimetals within lattice field theory in external magnetic field. Our results confirm the existence of Chiral Magnetic Effect in Dirac Semimetals.

  18. Phase diagram for the transition from photonic crystals to dielectric metamaterials

    Science.gov (United States)

    Rybin, Mikhail V.; Filonov, Dmitry S.; Samusev, Kirill B.; Belov, Pavel A.; Kivshar, Yuri S.; Limonov, Mikhail F.

    2015-01-01

    Photonic crystals and dielectric metamaterials represent two different classes of artificial media but are often composed of similar structural elements. The question is how to distinguish these two types of periodic structures when their parameters, such as permittivity and lattice constant, vary continuously. Here we discuss transition between photonic crystals and dielectric metamaterials and introduce the concept of a phase diagram, based on the physics of Mie and Bragg resonances. We show that a periodic photonic structure transforms into a metamaterial when the Mie gap opens up below the lowest Bragg bandgap where the homogenization approach can be justified and the effective permeability becomes negative. Our theoretical approach is confirmed by microwave experiments for a metacrystal composed of tubes filled with heated water. This analysis yields deep insight into the properties of periodic structures, and provides a useful tool for designing different classes of electromagnetic materials with variable parameters. PMID:26626302

  19. Phase diagrams to optimize surfactant solutions for oil and DNAPL recovery in aquifers

    International Nuclear Information System (INIS)

    Martel, R.; Gelinas, P.J.; Masson, A.

    1993-01-01

    Phase diagrams can be used to optimize the composition of surfactant solutions (cosurfactant/surfactant) designed for the recovery of DNAPLs at residual saturation in aquifer formations. The study also shows that the combination of cosurfactant (alcohol) and surfactant is more effective than the use of alcohols or surfactants separately. The suggested approach is based on miscible oil displacement using surfactant solutions that promote immiscible oil displacement. The goal of the present study is to demonstrate the potential of optimized surfactant solutions to restore oil and DNAPL-contaminated results show that alcohol/surfactant systems can be used to solubilize chlorinated solvents (TCE, PCE) and light oils (gasoline, diesel). For the dissolution of heavy and viscous oils (motor oil, ATF, creosote, Ville Mercier oil), an organic solvent must be added to the alcohol/surfactant system

  20. Unusual Phase Diagram of CeOs4Sb12

    Energy Technology Data Exchange (ETDEWEB)

    Ho, P. -C. [Fresno State Univ., Fresno, CA (United States); Goddard, P. A. [Warwick Univ., Coventry (United Kingdom); Maple, M. B. [Univ. of California, San Diego, CA (United States); Singleton, John [Los Alamos National Lab. (LANL), Los Alamos, NM (United States)

    2017-03-01

    Filled skutterudite compounds, with the formula MT4X12, where M is an alkali metal, alkaline-earth, lanthanide, or actinide, T is Fe, Ru, or Os, and X is P, As, or Sb, display a wide variety of interesting phenomena caused by strong electron correlations [1]. Among these, the three compounds CeOs4Sb12, PrOs4Sb12, and NdOs4Sb12, formed by employing Periodic Table neighbors for M, span the range from an antiferromagnetic (AFM) semimetal (M = Ce) via a 1.85 K unconventional (quadrupolar-fluctuation mediated) superconductor (M = Pr) to a 1 K ferromagnet (FM; M = Nd). In the course of an extended study of these compounds, we uncovered an unusual phase diagram for CeOs4Sb12.

  1. Field-concentration phase diagram of a quantum spin liquid with bond defects

    Science.gov (United States)

    Hüvonen, D.; Ballon, G.; Zheludev, A.

    2013-09-01

    The magnetic susceptibility of the gapped quantum spin liquid compound (C4H12N2)Cu2Cl6 and its chemically disordered derivatives (C4H12N2)Cu2(Cl1-xBrx)6 are systematically studied in magnetic fields of up to 45 T, as a function of Br concentration. The corresponding field-temperature and field-concentration phase diagrams are determined. Measurements on the disorder-free parent compound are not fully consistent with previously published results by other authors. The effect of Br/Cl substitution on the magnetic properties is superficially similar to that of finite temperature. However, important differences are identified and discussed with reference to the previously studied magnetic excitation spectra.

  2. Dimensional reduction and the phase diagram of 5d Yang-Mills theory

    CERN Document Server

    Kurkela, A; Panero, M

    2009-01-01

    We present a non-perturbative study of the phase diagram of 5d SU(2) Yang-Mills theory with one compact extra dimension on the lattice. Assuming at least a modest scale separation between the cutoff and the compactification scales leads to an exponential separation between the compactification scale and the four-dimensional correlation length. While we demonstrate that it is not possible to take a full five-dimensional continuum limit, this dynamical generation of scale hierarchy opens up the possibility for us to make limited, but non-perturbative, predictions about continuum theories whose low-energy sector is described by an effective 5d Yang-Mills theory.

  3. The QCD Phase Diagram for Three Degenerate Flavors and Small Baryon Density

    CERN Document Server

    De Forcrand, Philippe; Forcrand, Ph. de

    2003-01-01

    We present results for the phase diagram of three flavor QCD for \\mu_B ~ 500 MeV. Our simulations are performed with imaginary chemical potential \\mu_I for which the fermion determinant is positive. Physical observables are then fitted by truncated Taylor series and continued to real chemical potential. We map out the location of the critical line T_c(\\mu_B) with an accuracy up to terms of order (\\mu_B/T)^6. We also give first results on a determination of the critical endpoint of the transition and its quark mass dependence. Our results for the endpoint differ significantly from those obtained by other methods, and we discuss possible reasons for this.

  4. The phase diagrams and the order parameters of the diluted transverse superlattice with antiferromagnetic interface coupling

    International Nuclear Information System (INIS)

    Oubelkacem, A.; El Aouad, N.; Benaboud, A.; Saber, M.

    2004-01-01

    Using the effective field theory with a probability distribution technique that accounts for the self-spin correlation functions, the magnetic properties of the Ising superlattice consisting of two ferromagnetic materials A and B, with L a layers of diluted spins S a =((1)/(2)) and L b layers of diluted spins S b =1 in an applied transverse field Ω with antiferromagnetic interface coupling are examined. For fixed values of the reduced exchange interactions and the concentration c of magnetic atoms, the phase diagrams and the total magnetization for the superlattice are studied as a function of the transverse field and the temperature. We find a number of characteristic phenomena. In particular, the effect of the concentration c of magnetic atoms, the interlayer coupling and the transverse field on both the compensation temperature and the magnetization profiles are clarified. Some of them may be related to the experimental works of rare-earth (RE)/transition metal (TM) multilayer films

  5. The phase diagrams and the order parameters of the diluted superlattice with antiferromagnetic interface coupling

    International Nuclear Information System (INIS)

    Oubelkacem, A.; El Aouad, N.; Bentaleb, M.; Laaboudi, B.; Saber, M.

    2004-01-01

    Using the effective field theory with a probability distribution technique that accounts for the self-spin correlation functions, the magnetic properties of the diluted Ising superlattice consisting of two ferromagnetic materials A and B, with L a layers of diluted spins S a =((1)/(2)) and L b layers of diluted spins S b =1 with antiferromagnetic interface coupling are examined. For fixed values of the reduced exchange interactions and the concentration c of magnetic atoms, the phase diagrams, the two sublattice magnetizations and the total magnetization for the superlattice with the same spin S a =S b =((1)/(2)) and for S a =((1)/(2)), S b =1 are studied as a function of the temperature. We find a number of characteristic phenomena. In particular, the effect of the concentration c of magnetic atoms, the interlayer coupling and the layer thickness on both the compensation temperature and the magnetization profiles are clarified

  6. Phase diagram for Zr-Fe(0-66,6 at.%Fe)

    International Nuclear Information System (INIS)

    Malakhova, T.O.; Kobylkin, A.N.

    1982-01-01

    The Zr-Fe alloy system is investigated by the methods of X-ray diffraction and microstructure analyses. The existence of Zr 3 Fe compound is confirmed which is resulted from a peritectic reaction β+Zr 2 Fe reversible Zr 3 Fe; the formation temperature (approximately 885 deg C) is determined for Zr 3 Fe. It is found that Zr 2 Fe compound (tetragonal structure, a=6.384 A, c=5.598 A, c/a=0.877) decomposes according to an eutectoid reaction Zr 2 Fe reversible Zr 3 Fe+ZrFe 3 at 775 deg C. Using differential thermal analysis α reversible β transformation temperatures are determined; temperatures of eutectic L reversible β+Zr 2 Fe and peritectic L+ZrFe 2 reversible Zr 2 Fe equilibria are found to be 928 and 974 deg C respectively. The Zr-Fe (0-66.6 at.%Fe) phase diagram is constructed [ru

  7. The solid-liquid phase diagrams of binary mixtures of even saturated fatty acids differing by six carbon atoms

    Energy Technology Data Exchange (ETDEWEB)

    Costa, Mariana C. [LPT, Department of Chemical Process, School of Chemical Engineering, University of Campinas, UNICAMP, P.O. Box 6066, 13083-970, Campinas-SP (Brazil); EXTRAE, Department of Food Engineering, Faculty of Food Engineering, University of Campinas, UNICAMP, P.O. Box 6121, 13083-862, Campinas-SP (Brazil); CICECO, Departamento de Quimica da Universidade de Aveiro, 3810-193 Aveiro (Portugal); Rolemberg, Marlus P. [DETQI, Department of Chemical Technology, Federal University of Maranhao (UFMA), Sao Luis, Maranhao (Brazil); Meirelles, Antonio J.A. [EXTRAE, Department of Food Engineering, Faculty of Food Engineering, University of Campinas, UNICAMP, P.O. Box 6121, 13083-862, Campinas-SP (Brazil); Coutinho, Joao A.P. [CICECO, Departamento de Quimica da Universidade de Aveiro, 3810-193 Aveiro (Portugal); Kraehenbuehl, M.A., E-mail: mak@feq.unicamp.br [LPT, Department of Chemical Process, School of Chemical Engineering, University of Campinas, UNICAMP, P.O. Box 6066, 13083-970, Campinas-SP (Brazil)

    2009-12-10

    This study was aimed at using the solid-liquid phase diagrams for three binary mixtures of saturated fatty acids, especially the phase transitions below the liquidus line. These mixtures are compounded by caprylic acid (C{sub 8:0}) + myristic acid (C{sub 14:0}), capric acid (C{sub 10:0}) + palmitic acid (C{sub 16:0}), lauric acid (C{sub 12:0}) + stearic acid (C{sub 18:0}), differing by six carbon atoms between carbon chains. The phase diagrams were obtained by differential scanning calorimetry (DSC). The polarized light microscopy was used to complement the characterization for a full grasp of the phase diagram. Not only do these phase diagrams present peritectic and eutectic reactions, but also metatectic reactions, due to solid-solid phase transitions common, in fatty acids. These findings have contributed to the elucidation of the phase behavior of these important biochemical molecules with implications in various industrial production.

  8. Phase diagram of Ni2+ ions complexes with polyU×polyA×polyU

    Directory of Open Access Journals (Sweden)

    Usenko E. L.

    2009-06-01

    Full Text Available Aim. To investigate Ni2+ ion effect on the conformational equilibrium of the three-stranded polynucleotide polyU×polyA×polyU and to ascertain thermodynamic parameters of the metal complex formation. Methods. The differential UV spectroscopy and thermal denaturation. Results. Dependences of conformational transition (Tm of poly U×polyA×polyU (A2U on Ni2+ ion con- centration (up to 0.001 M under conditions close to physiological ones (0.1 M Na+, pH 7 were obtained. At [Ni2+] < 3×10–4 M two branches are observed in the phase diagram, corresponding to A2U → polyA×polyU (AU + polyU (3→2 and AU→polyA + polyU (2→1 transitions. Only A2U→polyU + polyA + polyU (3→1 transition is realized at higher Ni2+ concentrations and upon A2U heating. Effective binding constants are determined for Ni2+ ions with AU (850 M–1 and A2U (1300 M–1 as well as 3→2 transition enthalpy (DH3→2 = 4±1 kcal/mol×triplet. Conclusions. By the equilibrium binding theory the thermodynamic nature of (Tm2→3 different behavior in the phase diagram of AU in the presence of Mg2+ and Ni2+ ions was determined. A larger difference of the magnesium affinity to A2U and AU as compared with that to AU and poly A results in (Tm2→3 decrease whereas the opposite ratio of Ni2+ ion binding constants induces its increasing

  9. Thermochemical and phase diagram studies of the Sn-Zn-Ni system

    International Nuclear Information System (INIS)

    Gandova, V.D.; Broz, P.; Bursik, J.; Vassilev, G.P.

    2011-01-01

    Highlights: → Sn-Zn-Ni phase diagram in the vicinity of the Sn-Zn system. → Unidentified compositions (UX1-UX4) are repeatedly observed. → This indicates up to 6 ternary compounds in the system. → A ternary eutectic reaction at around 190 o C is found. - Abstract: The phase diagram Sn-Zn-Ni was studied by means of DSC and electron microprobe analysis. The samples were positioned in three isopleth sections with nickel contents of 0.04 (section 1), 0.08 (section 2) and 0.12 (section 3) mole fractions. The mole fractions of Sn corresponding to the particular sections were as follows: from 0.230 to 0.768 (section 1), from 0.230 to 0.736 (section 2); from 0.220 to 0.704 (section 3). Mixtures of pure metals were sealed under vacuum in quartz ampoules and annealed at 350 o C. The solid phases identified in the samples were: γ-(i.e. Ni 5 Zn 21 ), (Zn) and the ternary phase T1. Unidentified compositions were observed. One of them: UX1 (X Ni = 0.071 ± 0.005, X Sn = 0.439 ± 0.009 and X Zn = 0.490 ± 0.010) might indicate another (stable or metastable) ternary compound (T3) in the system Sn-Zn-Ni. Considering the data obtained by combining DSC with microstructure observations, the studied alloys could be divided in two groups (A and B). A ternary eutectic reaction at around 190 o C is common for the A-group alloys. The phases taking part in this reaction are, probably, Ni 5 Zn 21 , (Zn), (βSn) and liquid. B-group samples do not show ternary eutectic reaction and are also characterized by the presence of the ternary compound T1 (absent in the A-group alloys). Four other groups of thermal arrests were registered (TA 1 -TA 4 ). It was found that TA 2 peaks were characteristic for most of the A-group samples, while TA 1 peaks were registered with all B-group samples.

  10. Field-induced phase diagram of the XY pyrochlore antiferromagnet Er2Ti2O7

    Science.gov (United States)

    Lhotel, E.; Robert, J.; Ressouche, E.; Damay, F.; Mirebeau, I.; Ollivier, J.; Mutka, H.; Dalmas de Réotier, P.; Yaouanc, A.; Marin, C.; Decorse, C.; Petit, S.

    2017-04-01

    We explore the field-temperature phase diagram of the XY pyrochlore antiferromagnet Er2Ti2O7 by means of magnetization and neutron diffraction experiments. Depending on the field strength and direction relative to the high symmetry cubic directions [001 ],[1 1 ¯0 ] , and [111 ] , the refined field-induced magnetic structures are derived from the zero field ψ2 and ψ3 states of the Γ5 irreducible representation which describes the ground state of XY pyrochlore antiferromagnets. At low field, domain selection effects are systematically at play. In addition, for [001 ] , a phase transition is reported towards a ψ3 structure at a characteristic field Hc001=43 mT. For [1 1 ¯0 ] and [111 ] , the spins are continuously tilted by the field from the ψ2 state, and no phase transition is found while domain selection gives rise to sharp anomalies in the field dependence of the Bragg peaks intensity. For [1 1 ¯0 ] , these results are confirmed by high resolution inelastic neutron scattering experiments, which in addition allow us to determine the field dependence of the spin gap. This study agrees qualitatively with the scenario proposed theoretically by Maryasin et al. [Phys. Rev. B 93, 100406(R) (2016), 10.1103/PhysRevB.93.100406], yet the strength of the field-induced anisotropies is significantly different from theory.

  11. Magnetic phase diagram of ErNi2B2C

    DEFF Research Database (Denmark)

    Jensen, A.; Toft, K.N.; Abrahamsen, A.B.

    2004-01-01

    The magnetic phase diagram of the superconductor ErNi2B2C (T-c = 11 K and T-N = 6 K) has been studied by neutron diffraction as a function of temperature and magnetic field applied along the symmetry directions [010], [110] and [001] of the tetragonal crystal structure. A series of commensurate...... an analysis of bulk magnetization and zero-field neutron diffraction data. The model accounts for most of the observed features but fails to explain the occurrence of a small component Qdelta approximate to -0.005b* observed close to H-c2 when the field is applied along [110]. (C) 2004 Elsevier B.V. All...

  12. Anisotropic phase diagram of the rare-earth hyperkagome system Gd3Ga5O12 (GGG)

    Science.gov (United States)

    Quilliam, Jeffrey; Rousseau, Alexandre; Parent, Jean-Michel

    An understanding of the low-temperature properties of the hyperkagome system Gd3Ga5O12 or GGG is a long-standing problem in the field of frustrated magnetism. The origins of spin liquid and exotic spin-glass phases in this material remain mysterious and even its precise magnetic phase diagram is still not firmly established. We have investigated the field-induced phase diagram of this material using the ultrasound velocity and attenuation technique at temperatures as low as 40 mK. Two different field orientations are tested, and give rise to significant quantitative and qualitative differences. Notably, two distinct field-induced antiferromagnetic phases are observed for field parallel to 110, consistent with recent results, whereas only one ordered phase is observed for a 100 orientation. The field dependence of the sound velocity and attenuation is also found to be anisotropic within the low-field spin liquid phase. Research supported by NSERC, FQRNT.

  13. New version of Kurnakov’s law about relationship between properties of binary alloys and phase diagrams balance

    Science.gov (United States)

    Shakhnazarov, K. Y.; Prykhin, E. I.; Pomeranets, I. B.

    2017-10-01

    The representation of the state diagram as a concentration dependence of qualitative changes in crystallization (recrystallization) intervals is introduced for the first time. This makes it possible to connect the phase diagram with inexplicable properties of the phase composition or the structure of the anomaly in the properties of Zn-Cd, Sn-Pb, Cu-Ag, Al-Si, and Fe-C double alloys. A new version of Kurnakov’s law is presented which allows associating the anomalies of binary alloy properties with qualitative changes in crystallization intervals.

  14. Phase transition temperatures of Sn-Zn-Al system and their comparison with calculated phase diagrams

    Czech Academy of Sciences Publication Activity Database

    Smetana, B.; Zlá, S.; Kroupa, Aleš; Žaludová, M.; Drápala, J.; Burkovič, R.; Petlák, D.

    2012-01-01

    Roč. 110, č. 1 (2012), s. 369-378 ISSN 1388-6150 R&D Projects: GA MŠk(CZ) OC08053 Institutional support: RVO:68081723 Keywords : Sn-Zn-Al system * DTA * phase transition temperatures Subject RIV: BJ - Thermodynamics Impact factor: 1.982, year: 2012

  15. Phase diagram and breathing dynamics of a single red blood cell and a biconcave capsule in dilute shear flow

    Science.gov (United States)

    Yazdani, Alireza Z. K.; Bagchi, Prosenjit

    2011-08-01

    We present phase diagrams of the single red blood cell and biconcave capsule dynamics in dilute suspension using three-dimensional numerical simulations. The computational geometry replicates an in vitro linear shear flow apparatus. Our model includes all essential properties of the cell membrane, namely, the resistance against shear deformation, area dilatation, and bending, as well as the viscosity difference between the cell interior and suspending fluids. By considering a wide range of shear rate and interior-to-exterior fluid viscosity ratio, it is shown that the cell dynamics is often more complex than the well-known tank-treading, tumbling, and swinging motion and is characterized by an extreme variation of the cell shape. As a result, it is often difficult to clearly establish whether the cell is swinging or tumbling. Identifying such complex shape dynamics, termed here as “breathing” dynamics, is the focus of this article. During the breathing motion at moderate bending rigidity, the cell either completely aligns with the flow direction and the membrane folds inward, forming two cusps, or it undergoes large swinging motion while deep, craterlike dimples periodically emerge and disappear. At lower bending rigidity, the breathing motion occurs over a wider range of shear rates, and is often characterized by the emergence of a quad-concave shape. The effect of the breathing dynamics on the tank-treading-to-tumbling transition is illustrated by detailed phase diagrams which appear to be more complex and richer than those of vesicles. In a remarkable departure from the vesicle dynamics, and from the classical theory of nondeformable cells, we find that there exists a critical viscosity ratio below which the transition is independent of the viscosity ratio, and dependent on shear rate only. Further, unlike the reduced-order models, the present simulations do not predict any intermittent dynamics of the red blood cells.

  16. Thermodynamic study of sodium-iron oxides. Part 2. Ternary phase diagram of the Na-Fe-O system

    International Nuclear Information System (INIS)

    Huang, Jintao; Furukawa, Tomohiro; Aoto, Kazumi

    2003-01-01

    Studies on ternary phase diagrams of the Na-Fe-O system have been carried out from the thermodynamic point of view. Thermodynamic data of main ternary Na-Fe oxides Na 4 FeO 3 (s), Na 3 FeO 3 (s), Na 5 FeO 4 (s) and Na 8 Fe 2 O 7 (s) have been assessed. A user database has been created by reviewing literature data together with recent DSC and vapor pressure measurements by the present authors. New ternary phase diagrams of the Na-Fe-O system have been constructed from room temperature to 1000K. Stable conditions of the ternary oxides at 800K were presented in predominance diagram as functions of oxygen pressure and sodium pressure

  17. Critical point in the QCD phase diagram for extremely strong background magnetic fields

    International Nuclear Information System (INIS)

    Endrödi, Gergely

    2015-01-01

    Lattice simulations have demonstrated that a background (electro)magnetic field reduces the chiral/deconfinement transition temperature of quantum chromodynamics for eB<1 GeV 2 . On the level of observables, this reduction manifests itself in an enhancement of the Polyakov loop and in a suppression of the light quark condensates (inverse magnetic catalysis) in the transition region. In this paper, we report on lattice simulations of 1+1+1-flavor QCD at an unprecedentedly high value of the magnetic field eB=3.25 GeV 2 . Based on the behavior of various observables, it is shown that even at this extremely strong field, inverse magnetic catalysis prevails and the transition, albeit becoming sharper, remains an analytic crossover. In addition, we develop an algorithm to directly simulate the asymptotically strong magnetic field limit of QCD. We find strong evidence for a first-order deconfinement phase transition in this limiting theory, implying the presence of a critical point in the QCD phase diagram. Based on the available lattice data, we estimate the location of the critical point.

  18. High-throughput continuous hydrothermal synthesis of an entire nanoceramic phase diagram.

    Science.gov (United States)

    Weng, Xiaole; Cockcroft, Jeremy K; Hyett, Geoffrey; Vickers, Martin; Boldrin, Paul; Tang, Chiu C; Thompson, Stephen P; Parker, Julia E; Knowles, Jonathan C; Rehman, Ihtesham; Parkin, Ivan; Evans, Julian R G; Darr, Jawwad A

    2009-01-01

    A novel High-Throughput Continuous Hydrothermal (HiTCH) flow synthesis reactor was used to make directly and rapidly a 66-sample nanoparticle library (entire phase diagram) of nanocrystalline Ce(x)Zr(y)Y(z)O(2-delta) in less than 12 h. High resolution PXRD data were obtained for the entire heat-treated library (at 1000 degrees C/1 h) in less than a day using the new robotic beamline I11, located at Diamond Light Source (DLS). This allowed Rietveld-quality powder X-ray diffraction (PXRD) data collection of the entire 66-sample library in <1 day. Consequently, the authors rapidly mapped out phase behavior and sintering behaviors for the entire library. Out of the entire 66-sample heat-treated library, the PXRD data suggests that 43 possess the fluorite structure, of which 30 (out of 36) are ternary compositions. The speed, quantity and quality of data obtained by our new approach, offers an exciting new development which will allow structure-property relationships to be accessed for nanoceramics in much shorter time periods.

  19. Temperature-stress phase diagram of strain glass Ti48.5Ni51.5

    International Nuclear Information System (INIS)

    Wang, Y.; Ren, X.; Otsuka, K.; Saxena, A.

    2008-01-01

    The temperature and stress dependence of the properties of a recently discovered strain glass Ti 48.5 Ni 51.5 , which is a glass of frozen local lattice strains, was investigated systematically. It was found that the ideal freezing temperature (T 0 ) of the strain glass decreases with increasing stress. When the stress exceeds a critical value σ c (T), the pseudo-B2 strain glass transforms into B19' martensite. However, the stress-strain behavior associated with such a stress-induced transition showed a crossover at a crossover temperature T CR , which is ∼20 K below T 0 . Above T CR , the sample showed superelastic behavior; however, below T CR , the sample demonstrated plastic behavior. More interestingly, the σ c vs. temperature relation for unfrozen strain glass obeys the Clausius-Clapyeron relationship, whereas that for frozen strain glass disobeys this universal thermodynamic law. A phenomenological explanation is provided for all the phenomena observed, and it is shown that all the anomalous effects come from the broken ergodicity of the glass system and a temperature-dependent relative stability of the martensitic phase. Based on experimental observations, a temperature-stress phase diagram is constructed for this strain glass, which may serve as a guide map for understanding and predicting the properties of strain glass

  20. Structural and magnetic states in layered manganites: An expanding view of the phase diagram

    International Nuclear Information System (INIS)

    Mitchell, J. F.; Millburn, J. E.; Ling, C.; Argyriou, D. N.; Bordallo, H. N.

    2000-01-01

    Colossal magnetoresistive (CMR) manganites display a spectacular range of structural, magnetic, and electronic phases as a function of hole concentration, temperature, magnetic field, etc. A1though the bulk of research has concentrated on the 3-D perovskite manganites, the ability to study anisotropic magnetic and electronic interactions made available in reduced dimensions has accelerated interest in the layered Ruddlesden-Popper (R-P) phases of the manganite class. The quest for understanding the coupling among lattice, spin, and electronic degrees of freedom (and dimensionality) is driven by the availability of high quality materials. In this talk, the authors will present recent results on synthesis and magnetic properties of layered manganites from the La 2-2x Sr 1+2x Mn 2 O 7 series in the Mn 4+ -rich regime x >0.5. This region of the composition diagram is populated by antiferromagnetic structures that evolve from the A-type layered order to G-type ''rocksalt'' order as x increases. Between these two regimes is a wide region (0.7 3+ /Mn 4+ sites

  1. Absence of magnetic ordering and field-induced phase diagram in the gadolinium aluminum garnet

    Science.gov (United States)

    Florea, O.; Lhotel, E.; Jacobsen, H.; Knee, C. S.; Deen, P. P.

    2017-12-01

    The robustness of spin liquids with respect to small perturbations, and the way magnetic frustration can be lifted by slight changes in the balance between competing magnetic interactions, remains a rich and open issue. We address this question through the study of the gadolinium aluminum garnet Gd3Al5O12 , a related compound to the extensively studied Gd3Ga5O12 . We report on its magnetic properties at very low temperatures. We show that despite a freezing at about 300 mK, no magnetic transition is observed, suggesting the presence of a spin-liquid state down to the lowest temperatures, similarly to Gd3Ga5O12 , in spite of a larger ratio between exchange and dipolar interactions. Finally, the phase diagram as a function of field and temperature is strongly reminiscent of the one reported in Gd3Ga5O12 . This study reveals the robust nature of the spin-liquid phase for Gd ions on the garnet lattice, in stark contrast to Gd ions on the pyrochlore lattice for which a slight perturbation drives the compound into a range of magnetically ordered states.

  2. Effect of lipid composition on the structure and theoretical phase diagrams of DC-Chol/DOPE-DNA lipoplexes.

    Science.gov (United States)

    Muñoz-Ubeda, Mónica; Rodríguez-Pulido, Alberto; Nogales, Aurora; Martín-Molina, Alberto; Aicart, Emilio; Junquera, Elena

    2010-12-13

    Lipoplexes constituted by calf-thymus DNA (CT-DNA) and mixed cationic liposomes consisting of varying proportions of the cationic lipid 3β-[N-(N',N'-dimethylaminoethane)-carbamoyl]cholesterol hydrochloride (DC-Chol) and the zwitterionic lipid, 1,2-dioleoyl-sn-glycero-3-phosphoetanolamine (DOPE) have been analyzed by means of electrophoretic mobility, SAXS, and fluorescence anisotropy experiments, as well as by theoretically calculated phase diagrams. Both experimental and theoretical studies have been run at several liposome and lipoplex compositions, defined in terms of cationic lipid molar fraction, α, and either the mass or charge ratios of the lipoplex, respectively. The experimental electrochemical results indicate that DC-Chol/DOPE liposomes, with a mean hydrodynamic diameter of around (120 ± 10) nm, compact and condense DNA fragments at their cationic surfaces by means of a strong entropically driven electrostatic interaction. Furthermore, the positive charges of cationic liposomes are compensated by the negative charges of DNA phosphate groups at the isoneutrality L/D ratio, (L/D)(ϕ), which decreases with the cationic lipid content of the mixed liposome, for a given DNA concentration. This inversion of sign process has been also studied by means of the phase diagrams calculated with the theoretical model, which confirms all the experimental results. SAXS diffractograms, run at several lipoplex compositions, reveal that, irrespectively of the lipoplex charge ratio, DC-Chol/DOPE-DNA lipoplexes show a lamellar structure, L(α), when the cationic lipid content on the mixed liposomes α ≥ 0.4, while for a lower content (α = 0.2) the lipoplexes show an inverted hexagonal structure, H(II), usually related with improved cell transfection efficiency. A similar conclusion is reached from fluorescence anisotropy results, which indicate that the fluidity on liposome and lipoplexes membrane, also related with better transfection results, increases as long as the

  3. Identifying and comparing states of time-delayed systems: phase diagrams and applications to human motor control systems

    International Nuclear Information System (INIS)

    Frank, T.D.; Friedrich, R.; Beek, P.J.

    2005-01-01

    A data driven characterization of time-delayed stochastic systems is proposed in terms of linear delay differential equations and two drift parameters. It is shown how these parameters determine the states of such systems with respect to generalized phase diagrams. This approach allows for a comparison of systems with different parameters as exemplified for two motor control tasks: tracking and force production

  4. Phase diagram of methane and carbon dioxide hydrates computed by Monte Carlo simulations

    NARCIS (Netherlands)

    Waage, Magnus H.; Vlugt, T.J.H.; Kjelstrup, Signe

    2017-01-01

    Molecular Monte Carlo simulations are used to compute the three-phase (hydrate-liquid water-gas) equilibrium lines of methane and carbon dioxide hydrates, using the Transferable Potentials for Phase Equilibria model for carbon dioxide, the united atom optimized potential for liquid simulations

  5. A partial isothermal section at 1000 ˚C of Al-Mn-Fe phase diagram in vicinity of Taylor phase and decagonal quasicrystal

    Czech Academy of Sciences Publication Activity Database

    Priputen, P.; Černíčková, I.; Lejček, Pavel; Janičkovič, D.; Janovec, J.

    2016-01-01

    Roč. 37, č. 2 (2016), 130-134 ISSN 1547-7037 R&D Projects: GA ČR GBP108/12/G043 Institutional support: RVO:68378271 Keywords : aluminium alloys * equilibria * experimental phase * intermetallics * isothermal section * phase diagram Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 0.938, year: 2016

  6. Dynamic phase diagrams of the Ising metamagnet in an oscillating magnetic field within the effective-field theory

    Energy Technology Data Exchange (ETDEWEB)

    Deviren, Bayram [Department of Physics, Nevsehir University, 50300 Nevsehir (Turkey); Institute of Science, Erciyes University, 38039 Kayseri (Turkey); Keskin, Mustafa, E-mail: keskin@erciyes.edu.t [Department of Physics, Erciyes University, 38039 Kayseri (Turkey)

    2010-07-12

    Dynamic aspects of a two-sublattice Ising metamagnet on honeycomb, square and hexagonal lattices under the presence of a time-dependent oscillating external magnetic field are studied by using the effective-field theory with correlations. The set of effective-field dynamic equations is derived by employing Glauber transition rates. The phases in the system are obtained by solving these dynamic equations. The thermal behavior of the dynamic staggered magnetization, the hysteresis loop area and correlation are investigated in order to characterize the nature of the dynamic transitions and to obtain dynamic phase transition temperatures. The phase diagrams are constructed in two different planes, and exhibit dynamic tricritical behavior, which strongly depends on interaction parameters. In order to investigate the spin correlation effect on the dynamic phase diagrams of the system, the results are also given within the framework of the dynamic mean-field approximation.

  7. Dynamic phase diagrams of the Ising metamagnet in an oscillating magnetic field within the effective-field theory

    International Nuclear Information System (INIS)

    Deviren, Bayram; Keskin, Mustafa

    2010-01-01

    Dynamic aspects of a two-sublattice Ising metamagnet on honeycomb, square and hexagonal lattices under the presence of a time-dependent oscillating external magnetic field are studied by using the effective-field theory with correlations. The set of effective-field dynamic equations is derived by employing Glauber transition rates. The phases in the system are obtained by solving these dynamic equations. The thermal behavior of the dynamic staggered magnetization, the hysteresis loop area and correlation are investigated in order to characterize the nature of the dynamic transitions and to obtain dynamic phase transition temperatures. The phase diagrams are constructed in two different planes, and exhibit dynamic tricritical behavior, which strongly depends on interaction parameters. In order to investigate the spin correlation effect on the dynamic phase diagrams of the system, the results are also given within the framework of the dynamic mean-field approximation.

  8. Phase diagrams of lipid mixtures relevant to the study of membrane rafts

    DEFF Research Database (Denmark)

    Goni, Felix; Alonso, Alicia; Bagatolli, Luis

    2008-01-01

    The present paper reviews the phase properties of phosphatidylcholine-sphingomyelin-cholesterol mixtures, that are often used as models for membrane "raft" microdomains. The available data based on X-ray, microscopic and spectroscopic observations, surface pressure and calorimetric measurements, ...

  9. Ionic effects on the temperature-force phase diagram of DNA.

    Science.gov (United States)

    Amnuanpol, Sitichoke

    2017-12-01

    Double-stranded DNA (dsDNA) undergoes a structural transition to single-stranded DNA (ssDNA) in many biologically important processes such as replication and transcription. This strand separation arises in response either to thermal fluctuations or to external forces. The roles of ions are twofold, shortening the range of the interstrand potential and renormalizing the DNA elastic modulus. The dsDNA-to-ssDNA transition is studied on the basis that dsDNA is regarded as a bound state while ssDNA is regarded as an unbound state. The ground state energy of DNA is obtained by mapping the statistical mechanics problem to the imaginary time quantum mechanics problem. In the temperature-force phase diagram the critical force F c (T) increases logarithmically with the Na + concentration in the range from 32 to 110 mM. Discussing this logarithmic dependence of F c (T) within the framework of polyelectrolyte theory, it inevitably suggests a constraint on the difference between the interstrand separation and the length per unit charge during the dsDNA-to-ssDNA transition.

  10. Phase diagram of the ternary system lauric acid-capric acid-naphthalene

    Energy Technology Data Exchange (ETDEWEB)

    Longfei, Jin; Fengping, Xiao [College of Chemistry, Central China Normal University, Wuhan 430079 (China)

    2004-12-15

    The mixture of lauric acid and capric acid is a potential latent heat storage material. However, its eutectic melting temperature is quite high for low-temperature thermal energy storage. Addition of naphthalene is proposed. The ternary system lauric acid-capric acid-naphthalene has been investigated by differential scanning calorimetry (DSC), visual polythermal and chromatography of gases. The phase diagram is of an incongruent eutectic type. The eutectic mixture contains 18.4mol% lauric acid, 63.1mol% capric acid and 18.5mol% naphthalene and melts at 13.3{sup o}C. The peritectic mixture contains 32.4mol% lauric acid, 48.2mol% capric acid and 19.4mol% naphthalene and peritectic temperature of 16.2{sup o}C. The incongruent compound was analysed to be CH{sub 3}(CH{sub 2}){sub 10}COOH.CH{sub 3}(CH{sub 2}){sub 8}COOH. The melting temperature of the lauric acid-capric acid-naphthalene eutectic mixture makes it suitable for cooling applications.

  11. Experimental investigation of the dissolution of fractures. From early stage instability to phase diagram

    Science.gov (United States)

    Osselin, Florian; Budek, Agnieszka; Cybulski, Olgierd; Kondratiuk, Pawel; Garstecki, Piotr; Szymczak, Piotr

    2016-04-01

    Dissolution of natural rocks is a fundamental geological process and a key part of landscape formation and weathering processes. Moreover, in current hot topics like Carbon Capture and Storage or Enhanced Oil Recovery, mastering dissolution of the host rock is fundamental for the efficiency and the security of the operation. The basic principles of dissolution are well-known and the theory of the reactive infiltration instability has been extensively studied. However, the experimental aspect has proved very challenging because of the strong dependence of the outcome with pore network, chemical composition, flow rate... In this study we are trying to tackle this issue by using a very simple and efficient device consisting of a chip of pure gypsum inserted between two polycarbonate plates and subjected to a constant flow rate of pure water. Thanks to this device, we are able to control all parameters such as flow rate, fracture aperture, roughness of the walls... but also to observe in situ the progression of the dissolution thanks to the transparency of the polycarbonate which is impossible with 3D rocks. We have been using this experimental set-up to explore and investigate all aspects of the dissolution in a fracture, such as initial instability and phase diagram of different dissolution patterns, and to compare it with theory and simulations, yielding very good agreement and interesting feedbacks on the coupling between flow and chemistry in geological media

  12. Extended phase diagram of R NiC2 family: Linear scaling of the Peierls temperature

    Science.gov (United States)

    Roman, Marta; Strychalska-Nowak, Judyta; Klimczuk, Tomasz; Kolincio, Kamil K.

    2018-01-01

    Physical properties for the late-lanthanide-based R NiC2 (R =Dy , Ho, Er, and Tm) ternary compounds are reported. All the compounds show antiferromagnetic ground state with the Néel temperature ranging from 3.4 K for HoNiC2 to 8.5 K for ErNiC2. The results of the transport and galvanomagnetic properties confirm a charge density wave state at and above room temperature with transition temperatures TCDW=284 , 335, 366, and 394 K for DyNiC2, HoNiC2, ErNiC2, and TmNiC2, respectively. The Peierls temperature TCDW scales linearly with the unit cell volume. A similar linear dependence has been observed for the temperature of the lock-in transition T1 as well. Beyond the intersection point of the trend lines, the lock-in transition is no longer observed. In this Rapid Communication we demonstrate an extended phase diagram for the R NiC2 family.

  13. Universal phase and force diagrams for a microbubble or pendant drop in static fluid on a surface

    Science.gov (United States)

    Wei, P. S.; Hsiao, C. C.; Chen, K. Y.

    2008-01-01

    Dimensionless three-dimensional universal phase and lift force diagrams of a microbubble (or pendant drop) in static liquid on a solid surface (or orifice) are presented in this work. Microbubble dynamics has been found to play a vital role in mass, momentum, energy, and concentration transfer rates in contemporary micro- and nanosciences and technologies. In this study, dimensionless phase and force diagrams are introduced by utilizing the analytical solutions of the microbubble shape reported in the literature. It shows that phase and force diagrams can be universally specified by two dimensionless independent parameters, Bond number, and contact angle (or base radius). Based on the presence of an inflection point or neck on the microbubble surface, each diagram exhibits three regions. Growth, detachment, and entrapment of a microbubble can be described by path lines in three regions. The corresponding universal total lift forces include hydrostatic buoyancy, difference in gas, and hydrostatic pressures at the base, capillary pressure, as well as surface tension induced by the variation of circumference, which has not been treated in the literature so far. In the absence of viscous stress and Marangoni force, the total lift force equals surface tension induced by the variation of circumference. The latter can be an attaching or lifting force, depending on whether the state in the distinct regions and contact angle is less than or greater than a critical angle. The critical angle, which is slightly less than the inclination angle at the inflection point, is decreased with increasing Bond number.

  14. Magnetic phase diagrams of the CrB- and FeB-type HoSi compounds

    Science.gov (United States)

    Schobinger-Papamantellos, P.; Buschow, K. H. J.; Rodríguez-Carvajal, J.

    2011-11-01

    The temperature magnetic phase diagrams of the dimorphic HoSi compound were studied by neutron diffraction. The sample comprises 35.5% CrB- ( Cmcm) and 64.5% FeB-type ( Pnma) of structure. Both phases order antiferromagnetically below TN=25 K and undergo first-order magnetic transitions at Tic=16.5 K. Their T-phase diagrams comprise a low temperature ( LT) 2.7 K- Tic and a high temperature ( HT) range Tic- TN with distinct wave vectors. The LT magnetic ordering of the CrB-type HoSi with the wave vector q1=(1/2, 0, 1/2) corresponds to a uniaxial magnetic structure, with the Ho moments along the shortest axis c. At 2.7 K the ordered moment value is 8.6(2) μ B/Ho atom. The HT ordering, described by the wave vector q2=( q2 x, 0, q2 z) with a T-variable length, corresponds to an amplitude modulated structure. The magnetic ordering of the FeB-type HoSi requires two symmetry independent vectors q3=(0, q3 y, q3 z) for the LT- and q4=( q4 x, q4 y, 0) for the HT range. Both vectors correspond to sine wave modulated structures with the Ho magnetic moments confined along the shortest axis b. The q3 vector has an almost invariable length vs. T close to ≈(0, 9/17, 1/11). At 2.7 K the amplitude of the wave is 10.9(1) μ B/Ho atom. At Ticq3 jumps to the wave vector q4=( q4 x, q4 y, 0) with a T-variable length. At 17 K q4=(0.092(1), 0.538(3), 0). Around Tic there is a narrow coexistence range of the q3 and q4 competing phases. Various models are discussed and compared with the isomorphic RSi ( R=rare earth) compounds counterparts of HoSi, a comparison that has led us to briefly review the magnetic structures available in the literature for this interesting class of compounds.

  15. Studies of the QCD Phase Diagram with Heavy-Ion Collisions at J-PARC

    Science.gov (United States)

    Sako, Hiroyuki

    To clarify phase structures in the QCD phase diagram is an ultimate goal of heavy-ion collision experiments. Studies of internal structures of neutron stars are also one of the most important topics of nuclear physics since the discovery of neutron stars with two-solar mass. For these physics goals, J-PARC heavy-ion project (J-PARC-HI) has been proposed, where extremely dense matter with 5-10 times the normal nuclear density will be created. Heavy-ion beams up to Uranium will be accelerated to 1-19 AGeV/c, with the designed world's highest beam rate of 1011 Hz. The acceleration of such high-rate beams can be realized by a new heavy-ion linac and a new booster ring, in addition to the existing 3-GeV and 50-GeV proton synchrotrons. To study the above physics goals, following physics observables will be measured in extremely high statistics expected in J-PARC-HI. To search for the critical point, high-order event-by-event fluctuations of conserved charges such as a net-baryon number, an electric charge number, and a strangeness number will be measured. To study the chiral symmetry restoration, dilepton spectra from light vector meson decays will be measured. Also, collective flows, particle correlations will be measured to study the equation of state and hyperon-hyperon and hyperon-nucleon interactions related to neutron stars. Strange quark matter (strangelet) and multi-strangeness hypernuclei will be searched for which may be related directly to the matter constituting the neutron star core. In this work, the physics goals, the experimental design, and expected physics results of J-PARC-HI will be discussed.

  16. Local probe investigations of the electronic phase diagrams of iron pnictides and chalcogenides

    Energy Technology Data Exchange (ETDEWEB)

    Materne, Philipp

    2015-09-24

    In this work, the electronic phase diagrams of Ca{sub 1-x}Na{sub x}Fe{sub 2}As{sub 2} and Fe{sub 1+y}Te were investigated using muon spin relaxation and Moessbauer spectroscopy. Single crystals of Ca{sub 1-x}Na{sub x}Fe{sub 2}As{sub 2} with x = 0.00, 0.35, 0.50, and 0.67 were examined. The undoped 122 parent compound CaFe{sub 2}As{sub 2} is a semi metal and shows antiferromagnetic commensurate spin density wave order below 167 K. By hole doping via Na substitution, the magnetic order is suppressed and superconductivity emerges including a Na-substitution level region, where both phases coexist. Upon Na substitution, a tilting of the magnetic moments out of the ab-plane is found. The interaction of the magnetic and superconducting order parameter in this coexistence region was studied and a nanoscopic coexistence of both order parameters is found. This is proven by a reduction of the magnetic order parameter of 7 % in x = 0.50 below the superconducting transition temperature. This reduction was analysed using Landau theory and a systematic correlation between the reduction of the magnetic order parameter and the ratio of the transition temperatures, T{sub c}/T{sub N}, for the 122 family of the iron pnictides is presented. The magnetic phase transition is accompanied by a tetragonal-to-orthorhombic phase transition. The lattice dynamics at temperatures above and below this magneto-structural phase transition were studied and no change in the lattice dynamics were found. However, the lattice for finite x is softer than for the undoped compound. For x = 0.67, diluted magnetic order is found. Therefore, the magnetism in Ca{sub 1-x}Na{sub x}Fe{sub 2}As{sub 2} is persistent even at optimal doping. The superconducting state is investigated by measuring the temperature dependence of the magnetic penetration depth, where two superconducting gaps with a weighting of nearly 50:50 are obtained. A temperature independent anisotropy of the magnetic penetration depth γ{sub

  17. PERANGKAT LUNAK PEMBANGKIT DOKUMENTASI MODEL DATA KONSEPTUAL DAN MODEL DATA FISIK DENGAN PENGGAMBARAN DIAGRAM RESOLUSI TINGGI

    Directory of Open Access Journals (Sweden)

    Lutfi Rizal Gozali

    2012-07-01

    Full Text Available Normal 0 false false false IN X-NONE X-NONE MicrosoftInternetExplorer4 /* Style Definitions */ table.MsoNormalTable {mso-style-name:"Table Normal"; mso-tstyle-rowband-size:0; mso-tstyle-colband-size:0; mso-style-noshow:yes; mso-style-priority:99; mso-style-qformat:yes; mso-style-parent:""; mso-padding-alt:0cm 5.4pt 0cm 5.4pt; mso-para-margin:0cm; mso-para-margin-bottom:.0001pt; mso-pagination:widow-orphan; font-size:11.0pt; font-family:"Calibri","sans-serif"; mso-ascii-font-family:Calibri; mso-ascii-theme-font:minor-latin; mso-fareast-font-family:"Times New Roman"; mso-fareast-theme-font:minor-fareast; mso-hansi-font-family:Calibri; mso-hansi-theme-font:minor-latin; mso-bidi-font-family:"Times New Roman"; mso-bidi-theme-font:minor-bidi;} Rancangan basis data berskala besar membutuhkan mekanisme penanganan penggambaran diagram ke halaman buku dokumentasi untuk menjaga kejelasan dan konsistensi informasi. Hal ini melatarbelakangi ide untuk membangun fitur pembangkit dokumentasi model data konseptual (CDM dan model data fisik (PDM pada CASE Tool dengan keluaran diagram model data beresolusi tinggi. Fitur ini dibangun di atas kerangka kerja .NET Framework 3.5 dan menggunakan pustaka tambahan Microsoft Office Interop Word 12.0. Hasil uji coba menunjukkan bahwa fitur pembangkit dokumentasi ini dapat menghasilkan buku dokumentasi berupa berkas Microsoft Word (*.doc atau *.docx. Diagram model data ditampilkan di bagian awal buku dokumentasi dengan resolusi tinggi dan informasi detil sebagai keterangan dari setiap objek model data ditampilkan di bagian akhir buku dokumentasi.

  18. 3D Computer Models of T- x- y Diagrams, Forming the Fe-Ni-Co-FeS-NiS-CoS Subsystem

    Science.gov (United States)

    Lutsyk, V. I.; Vorob'eva, V. P.

    2017-12-01

    3D computer models of Fe-Ni-Co, Fe-Ni-FeS-NiS, Fe-Co-FeS-CoS, Ni-Co-NiS-CoS T- x- y diagrams have been designed. The geometric structure (35 surfaces, two-phase surface of the reaction type change, 17 phase regions) of the Fe-Ni-FeS-NiS T- x- y diagram is investigated in detail. The liquidus hypersurfaces prediction of the Fe-Ni-Co-FeS-NiS-CoS subsystem is represented.

  19. Darwin's diagram of divergence of taxa as a causal model for the origin of species.

    Science.gov (United States)

    Bouzat, Juan L

    2014-03-01

    On the basis that Darwin's theory of evolution encompasses two logically independent processes (common descent and natural selection), the only figure in On the Origin of Species (the Diagram of Divergence of Taxa) is often interpreted as illustrative of only one of these processes: the branching patterns representing common ancestry. Here, I argue that Darwin's Diagram of Divergence of Taxa represents a broad conceptual model of Darwin's theory, illustrating the causal efficacy of natural selection in producing well-defined varieties and ultimately species. The Tree Diagram encompasses the idea that natural selection explains common descent and the origin of organic diversity, thus representing a comprehensive model of Darwin's theory on the origin of species. I describe Darwin's Tree Diagram in relation to his argumentative strategy under the vera causa principle, and suggest that the testing of his theory based on the evidence from the geological record, the geographical distribution of organisms, and the mutual affinities of organic beings can be framed under the hypothetico-deductive method. Darwin's Diagram of Divergence of Taxa therefore represents a broad conceptual model that helps understanding the causal construction of Darwin's theory of evolution, the structure of his argumentative strategy, and the nature of his scientific methodology.

  20. Intermediate regime and a phase diagram of red blood cell dynamics in a linear flow

    Science.gov (United States)

    Levant, Michael; Steinberg, Victor

    2016-12-01

    In this paper we investigate the in vitro dynamics of a single rabbit red blood cell (RBC) in a planar linear flow as a function of a shear stress σ and the dynamic viscosity of outer fluid ηo. A linear flow is a generalization of previous studies dynamics of soft objects including RBC in shear flow and is realized in the experiment in a microfluidic four-roll mill device. We verify that the RBC stable orientation dynamics is found in the experiment being the in-shear-plane orientation and the RBC dynamics is characterized by observed three RBC dynamical states, namely tumbling (TU), intermediate (INT), and swinging (SW) [or tank-treading (TT)] on a single RBC. The main results of these studies are the following. (i) We completely characterize the RBC dynamical states and reconstruct their phase diagram in the case of the RBC in-shear-plane orientation in a planar linear flow and find it in a good agreement with that obtained in early experiments in a shear flow for human RBCs. (ii) The value of the critical shear stress σc of the TU-TT(SW) transition surprisingly coincides with that found in early experiments in spite of a significant difference in the degree of RBC shape deformations in both the SW and INT states. (iii) We describe the INT regime, which is stationary, characterized by strong RBC shape deformations and observed in a wide range of the shear stresses. We argue that our observations cast doubts on the main claim of the recent numerical simulations that the only RBC spheroidal stress-free shape is capable to explain the early experimental data. Finally, we suggest that the amplitude dependence of both θ and the shape deformation parameter D on σ can be used as the quantitative criterion to determine the RBC stress-free shape.

  1. A complete phase diagram of high Tc iron oxypnictide SmFeAsO1-xHx

    Science.gov (United States)

    Iimura, Soshi; Okanishi, Hiroshi; Matsuishi, Satoru; Hiraka, Haruhiro; Honda, Takashi; Ikeda, Kazutaka; Hansen, Thomas; Otomo, Toshiya; Hosono, Hideo

    Detailed knowledge of the phase diagram illustrating the superconducting (SC) and magnetic phases is essential for a deeper understanding of the physics in iron-based superconductors. Recently in the electron-doped LaFeAsO1 -xHx, we found a two-SC-dome structure in 0.05 0.4. However, due to the lack of the phase diagram of the SmFeAsO1 -xHx particularly in the over-doped region, the relation between the high-Tc superconductivity and the magnetism is still unclear. Here, we present a complete phase diagram of SmFeAsO1-xHx with x ranging from 0 to 0.82 revealed by neutron diffraction and heat capacity measurements. We discovered a new AFM in the over-doped region, and the magnetic structure was incommensurate and predominantly longitudinal spin density wave. In this talk, we show the x- and temperature-dependence of magnetic and crystal structures in detail.

  2. x-T phase diagram of La-substituted BiFeO3-PbTiO3

    Directory of Open Access Journals (Sweden)

    K. K. Mishra

    2011-09-01

    Full Text Available Single-phase polycrystalline powders of 0.5(Bi1-xLaxFeO3-0.5PbTiO3 solid-solution were synthesized for x ≤ 0.3 using solid-state reaction method. The mixed crystals exhibit a tetragonal structure at ambient and the c/a ratio decreases with x. In-situ X-ray diffraction measurements at elevated temperatures show a structural transition to a cubic phase. The transition temperatures have been obtained for different x and a x-T phase diagram has been proposed.

  3. Approximating Model Equivalence in Interactive Dynamic Influence Diagrams Using Top K Policy Paths

    DEFF Research Database (Denmark)

    Zeng, Y.; Chen, Y.; Doshi, Prashant

    2011-01-01

    Interactive dynamic influence diagrams (I-DIDs) are graphical models for sequential decision making in uncertain settings shared by other agents. Algorithms for solving I-DIDs face the challenge of an exponentially growing space of behavioral models ascribed to other agents over time. Previous ap...

  4. Summary Diagrams for Coupled Hydrodynamic-Ecosystem Model Skill Assessment

    Science.gov (United States)

    2009-01-01

    numerical model study of the Georges bank ecosystems. Part II: biological-physical model. Deep-Sea Research II 48, 457-482. Friedrichs. M.A.M., Dusenberry...upper ocean ecology, photochemistry, and optics. NRL Technical Memorandum. NRI ./MR/7330-07-9026. Naval Research Laboratory, Stennis Space Center...Wallhead, P.J., Martin. A.P.. Srokosz, M.A.. Franks, P.J.S., in press. Predicting the bulk plankton dynamics of Georges Bank : model skill assessment

  5. Approximate Solutions of Interactive Dynamic Influence Diagrams Using Model Clustering

    DEFF Research Database (Denmark)

    Zeng, Yifeng; Doshi, Prashant; Qiongyu, Cheng

    2007-01-01

    of the other agents, which increase exponentially with the number of time steps. We present a method of solving I-DIDs approximately by limiting the number of other agents' candidate models at each time step to a constant. We do this by clustering the models and selecting a representative set from the clusters...

  6. Temperature and composition dependent structural evolution of AgPd bimetallic nanoparticle: phase diagram of (AgPd)151 nanoparticle.

    Science.gov (United States)

    Kim, Hyun You; Kim, Da Hye; Lee, Hyuck Mo

    2011-03-01

    We study the structural evolution of a 151 atom Ag-Pd bimetallic nanoparticle with composition and temperature. The solid-to-liquid transition region was investigated using molecular dynamics simulations with an improved collision method, and the solid-state structure of the nanoparticle was explored with a combination of molecular dynamics and density functional theory. Results show that an fcc-to-icosahedron transformation occurs at high temperature in all composition range and that a composition of nanoparticles concerns the atomic distribution of the (AgPd)151 nanoparticle. As a result, we constructed a phase diagram of the (AgPd)151 nanoparticle. Our phase diagram offers guidance on the application of Ag-Pd nanoparticles.

  7. A (T-P) phase diagram of hydrogen storage on (N4C3H)6Li6.

    Science.gov (United States)

    Das, Ranjita; Chattaraj, Pratim Kumar

    2012-03-29

    Temperature-pressure phase diagrams are generated through the study of hydrogen adsorption on the (N(4)C(3)H)(6)Li(6) cluster at the B3LYP/6-31+G(d) level of theory. The possibility of hydrogen storage in an associated 3D functional material is also explored. Electronic structure calculations are performed to generate temperature-pressure phase diagrams so that the temperature-pressure zones are identified where the Gibbs free energy change associated with the hydrogen adsorption process on (N(4)C(3)H)(6)Li(6) cluster becomes negative and hence thermodynamically favorable. Both adsorption and desorption processes are likely to be kinetically feasible as well.

  8. Multiple spin-flop phase diagram of BaCu{sub 2}Si{sub 2}O{sub 7}

    Energy Technology Data Exchange (ETDEWEB)

    Glazkov, V N; Zheludev, A [Laboratorium fuer Festkoerperphysik, ETH Zurich, 8093 Zuerich (Switzerland); Dhalenne, G; Revcolevschi, A, E-mail: glazkov@kapitza.ras.ru [Laboratoire de Physico-Chimie de l' Etat Solide, Universite Paris-Sud, 91405 Orsay Cedex (France)

    2011-03-02

    The quasi-one-dimensional compound BaCu{sub 2}Si{sub 2}O{sub 7} demonstrates numerous spin-reorientation transitions both for a magnetic field applied along the easy axis of magnetization and a magnetic field applied perpendicular to it. The magnetic phase diagram for all three principal orientations is obtained by magnetization and specific heat measurements. Values of all critical fields and low-temperature values of magnetization jumps are determined for all transitions.

  9. On the solid–liquid phase diagrams of binary mixtures of even saturated fatty alcohols: Systems exhibiting peritectic reaction

    Energy Technology Data Exchange (ETDEWEB)

    Carareto, Natália D.D. [EXTRAE, Department of Food Engineering, Food Engineering Faculty, University of Campinas, UNICAMP, CEP 13083-862 Campinas, SP (Brazil); Santos, Adenílson O. dos [Social Sciences, Health and Technology Center, University of Maranhão, UFMA, CEP 65900-410 Imperatriz, MA (Brazil); Rolemberg, Marlus P. [Institute of Science and Technology, University of Alfenas, UNIFAL, Rodovia José AurélioVilela, CEP 37715400 Poços de Caldas, MG (Brazil); Cardoso, Lisandro P. [Institute of Physics GlebWataghin, University of Campinas, UNICAMP, C.P. 6165, CEP 13083-970 Campinas, SP (Brazil); Costa, Mariana C. [School of Applied Science, University of Campinas, UNICAMP, CEP 13484-350 Limeira, SP (Brazil); Meirelles, Antonio J.A., E-mail: tomze@fea.unicamp.br [EXTRAE, Department of Food Engineering, Food Engineering Faculty, University of Campinas, UNICAMP, CEP 13083-862 Campinas, SP (Brazil)

    2014-08-10

    Highlights: • SLE of binary mixtures of saturated fatty alcohols was studied. • Experimental data were obtained using DSC and stepscan DSC. • Microscopy and X-ray diffraction used as complementary techniques. • Systems presented eutectic, peritectic and metatectic points. - Abstract: The solid–liquid phase diagrams of the following binary mixtures of even saturated fatty alcohols are reported in the literature for the first time: 1-octanol (C8OH) + 1-decanol (C10OH), 1-decanol + 1-dodecanol (C12OH), 1-dodecanol + 1-hexadecanol (C16OH) and 1-tetradecanol (C14OH) + 1-octadecanol (C18OH). The phase diagrams were obtained by differential scanning calorimetry (DSC) using a linear heating rate of 1 K min{sup −1} and further investigated by using a stepscan DSC method. X-ray diffraction (XRD) and polarized light microscopy were also used to complement the characterization of the phase diagrams which have shown a complex global behavior, presenting not only peritectic and eutectic reactions, but also the metatectic reaction and partial immiscibility on solid state.

  10. Gold–Copper Nano-Alloy, “Tumbaga”, in the Era of Nano: Phase Diagram and Segregation

    Science.gov (United States)

    2015-01-01

    Gold–copper (Au–Cu) phases were employed already by pre-Columbian civilizations, essentially in decorative arts, whereas nowadays, they emerge in nanotechnology as an important catalyst. The knowledge of the phase diagram is critical to understanding the performance of a material. However, experimental determination of nanophase diagrams is rare because calorimetry remains quite challenging at the nanoscale; theoretical investigations, therefore, are welcomed. Using nanothermodynamics, this paper presents the phase diagrams of various polyhedral nanoparticles (tetrahedron, cube, octahedron, decahedron, dodecahedron, rhombic dodecahedron, truncated octahedron, cuboctahedron, and icosahedron) at sizes 4 and 10 nm. One finds, for all the shapes investigated, that the congruent melting point of these nanoparticles is shifted with respect to both size and composition (copper enrichment). Segregation reveals a gold enrichment at the surface, leading to a kind of core–shell structure, reminiscent of the historical artifacts. Finally, the most stable structures were determined to be the dodecahedron, truncated octahedron, and icosahedron with a Cu-rich core/Au-rich surface. The results of the thermodynamic approach are compared and supported by molecular-dynamics simulations and by electron-microscopy (EDX) observations. PMID:25338111

  11. Phase diagrams of aluminium alloys of Al-Cu-Mg, Al-Mg-Si-Cu, and Al-Mg-Li system

    International Nuclear Information System (INIS)

    Ber, L.B.; Kaputkin, E.Ya.

    2001-01-01

    Isothermal diagrams of phase transformations (DPT) and temperature-time charts (TTC) of variation of electric conductivity and of mechanical features at tension were plotted following thermal treatment according to the pattern of direct hardening and ageing and according to the pattern of normal aging for D16 commercial alloy, Al-Cu-Mg model alloy of the same system, AD37 commercial alloys of Al-Mg-Si-Cu and 1424 one of Al-Li-Mg system. Phase transformations were studied by means of fluorescence electron microscopy, micro-X-ray spectral analysis, X-ray phase analysis of single crystals and polycrystals and differential scanning calorimetry. For every alloy comparison of TTC and DPT enables to clarity the mechanism of phase composition effect on features and to optimize conditions of hardening cooling and ageing [ru

  12. Pathobiology of cholesterol gallstone disease: from equilibrium ternary phase diagram to agents preventing cholesterol crystallization and stone formation.

    Science.gov (United States)

    Portincasa, Piero; Moschetta, Antonio; Calamita, Giuseppe; Margari, Antonio; Palasciano, Giuseppe

    2003-03-01

    The primum movens in cholesterol gallstone formation is hypersecretion of hepatic cholesterol, chronic surpersaturation of bile with cholesterol and rapid precipitation of cholesterol crystals in the gallbladder from cholesterol-enriched vesicles. Associated events include biochemical defects (increased biliary mucin, and increased proportions of hydrophobic bile salts in the intestine and gallbladder), motility defects (gallbladder smooth muscle hypocontractility in vitro and gallbladder stasis in vivo, sluggish intestinal transit), and an abnormal genetic background. The study of physical-chemical factors and pathways leading to cholesterol crystallization in bile has clinical relevance and the task can be carried out in different ways. The lithogenicity of bile is investigated in artificial model biles made by three biliary lipids - cholesterol, bile salts and phospholipids - variably combined in systems plotting within the equilibrium ternary phase diagram; also, crystallization propensity of ex vivo incubated human bile is studied by biochemical analysis of precipitated crystals, polarizing quantitative light microscopy and turbidimetric methods. The present review will focus on the recent advances in the field of pathobiology of cholesterol gallstones, by underscoring the role of early events like water transport, lipid transport, crystallization phenomena - including a genetic background - in gallstone pathogenesis. Agents delaying or preventing precipitation of cholesterol crystals and gallstone formation in bile will also be discussed.

  13. STUDY TO DETERMINE A NEW MODEL OF THE ISHIKAWA DIAGRAM FOR QUALITY IMPROVEMENT

    Directory of Open Access Journals (Sweden)

    Liliana LUCA

    2017-05-01

    Full Text Available The paper presents the results of a study concerning the use of the Ishikawa diagram in analyzing the causes that determine the improvement of the quality of education in a university. All the possible, main and secondary causes that could generate the studied problem were identified. We determined six possible main causes: Man-professor, Man- student, Methods, Materials, Environment for Teaching and Learning, Quality Management. All main causes and secondary causes described a new Ishikawa diagram, a new model with 4 M + 1E + 1Q.

  14. An Excel Macro to Plot the HFE-Diagram to Identify Sea Water Intrusion Phases.

    Science.gov (United States)

    Giménez-Forcada, Elena; Sánchez San Román, F Javier

    2015-01-01

    A hydrochemical facies evolution diagram (HFE-D) is a multirectangular diagram, which is a useful tool in the interpretation of sea water intrusion processes. This method note describes a simple method for generating an HFE-D plot using the spreadsheet software package, Microsoft Excel. The code was applied to groundwater from the alluvial coastal plain of Grosseto (Tuscany, Italy), which is characterized by a complex salinization process in which sea water mixes with sulfate or bicarbonate recharge water. © 2014, National GroundWater Association.

  15. Quantum tricritical point in the temperature-pressure-magnetic field phase diagram of CeTiGe3

    Science.gov (United States)

    Kaluarachchi, Udhara S.; Taufour, Valentin; Bud'ko, Sergey L.; Canfield, Paul C.

    2018-01-01

    We report the temperature-pressure-magnetic-field phase diagram of the ferromagnetic Kondo-lattice CeTiGe3 determined by means of electrical resistivity measurements. Measurements up to ˜5.8 GPa reveal a rich phase diagram with multiple phase transitions. At ambient pressure, CeTiGe3 orders ferromagnetically at TC=14 K. Application of pressure suppresses TC, but a pressure-induced ferromagnetic quantum criticality is avoided by the appearance of two new successive transitions for p >4.1 GPa that are probably antiferromagnetic in nature. These two transitions are suppressed under pressure, with the lower-temperature phase being fully suppressed above 5.3 GPa. The critical pressures for the presumed quantum phase transitions are p1≅4.1 GPa and p2≅5.3 GPa. Above 4.1 GPa, application of magnetic field shows a tricritical point evolving into a wing-structure phase with a quantum tricritical point at 2.8 T at 5.4 GPa, where the first-order antiferromagnetic-ferromagnetic transition changes into the second-order antiferromagnetic-ferromagnetic transition.

  16. Entropy, complexity, and Markov diagrams for random walk cancer models.

    Science.gov (United States)

    Newton, Paul K; Mason, Jeremy; Hurt, Brian; Bethel, Kelly; Bazhenova, Lyudmila; Nieva, Jorge; Kuhn, Peter

    2014-12-19

    The notion of entropy is used to compare the complexity associated with 12 common cancers based on metastatic tumor distribution autopsy data. We characterize power-law distributions, entropy, and Kullback-Liebler divergence associated with each primary cancer as compared with data for all cancer types aggregated. We then correlate entropy values with other measures of complexity associated with Markov chain dynamical systems models of progression. The Markov transition matrix associated with each cancer is associated with a directed graph model where nodes are anatomical locations where a metastatic tumor could develop, and edge weightings are transition probabilities of progression from site to site. The steady-state distribution corresponds to the autopsy data distribution. Entropy correlates well with the overall complexity of the reduced directed graph structure for each cancer and with a measure of systemic interconnectedness of the graph, called graph conductance. The models suggest that grouping cancers according to their entropy values, with skin, breast, kidney, and lung cancers being prototypical high entropy cancers, stomach, uterine, pancreatic and ovarian being mid-level entropy cancers, and colorectal, cervical, bladder, and prostate cancers being prototypical low entropy cancers, provides a potentially useful framework for viewing metastatic cancer in terms of predictability, complexity, and metastatic potential.

  17. What Happens when Representations Fail to Represent? Graduate Students' Mental Models of Organic Chemistry Diagrams

    Science.gov (United States)

    Strickland, Amanda M.; Kraft, Adam; Bhattacharyya, Gautam

    2010-01-01

    As part of our investigations into the development of representational competence, we report results from a study in which we elicited sixteen graduate students' expressed mental models of commonly-used terms for describing organic reactions--functional group, nucleophile/electrophile, acid/base--and for diagrams of transformations and their…

  18. Phase diagram of two-color QCD in a Dyson-Schwinger approach

    Energy Technology Data Exchange (ETDEWEB)

    Buescher, Pascal Joachim

    2014-04-28

    We investigate two-color QCD with N{sub f}=2 at finite temperatures and chemical potentials using a Dyson-Schwinger approach. We employ two different truncations for the quark loop in the gluon DSE: one based on the Hard-Dense/Hard-Thermal Loop (HDTL) approximation of the quark loop and one based on the back-coupling of the full, self-consistent quark propagator (SCQL). We compare results for the different truncations with each other as well as with other approaches. As expected, we find a phase dominated by the condensation of quark-quark pairs. This diquark condensation phase overshadows the critical end point and first-order phase transition which one finds if diquark condensation is neglected. The phase transition from the phase without diquark condensation to the diquark-condensation phase is of second order. We observe that the dressing with massless quarks in the HDTL approximation leads to a significant violation of the Silver Blaze property and to a too small diquark condensate. The SCQL truncation, on the other hand, is found to reproduce all expected features of the μ-dependent quark condensates. Moreover, with parameters adapted to the situation in other approaches, we also find good to very good agreement with model and lattice calculations in all quark quantities. We find indictions that the physics in recent lattice calculations is likely to be driven solely by the explicit chiral symmetry breaking. Discrepancies w.r.t. the lattice are, however, observed in two quantities that are very sensitive to the screening of the gluon propagator, the dressed gluon propagator itself and the phase-transition line at high temperatures.

  19. Phase diagrams for the system water/butyric acid/propylene carbonate at T = 293.2-313.2 K and p = 101.3 kPa

    Science.gov (United States)

    Shekarsaraee, Sina; Nahzomi, Hossein Taherpour; Nasiri-Touli, Elham

    2017-11-01

    Phase diagrams for the system water/butyric acid/propylene carbonate were plotted at T = 293.2, 303.2, 313.2 K and p = 101.3 kPa. Acidimetric titration and refractive index methods were used to determine tie-line data. Solubility data revealed that the studied system exhibits type-1 behavior of liquid-liquid equilibrium. The experimental data were regressed and acceptably correlated using the UNIQUAC and NRTL models. As a result, propylene carbonate is a suitable separating agent for aqueous mixture of butyric acid.

  20. The CsBr-AlBr3 Phase Diagram and The Crystal Structure of CsAlBr4

    DEFF Research Database (Denmark)

    Berg, Rolf W.

    1997-01-01

    The phase diagram in the CsBr-AlBr3 system has been reinvestigated. An adjusted liquidus diagram is given, showing the compound CsAlBr4 which melts congruently at 360 oC. The lack of consistency among previous results is presumably due to the presence of oxide impurities formed by attack of bromide...... on the silica ampul walls. Some molten salt density data are given. The CsAlBr4 crystal structure has been solved in the orthorhombic space group Pnma, no. 62 (D2h16), with a = 12.2137(20) , b = 7.5304(14) and c = 9.9293(16) Å, by means of X-ray powder diffraction and full-profile Rietveld refinements...

  1. Soluble 1:1 complexes and insoluble 3:2 complexes - Understanding the phase-solubility diagram of hydrocortisone and γ-cyclodextrin.

    Science.gov (United States)

    Schönbeck, Christian; Madsen, Tobias L; Peters, Günther H; Holm, René; Loftsson, Thorsteinn

    2017-10-15

    The molecular mechanisms underlying the drug-solubilizing properties of γ-cyclodextrin were explored using hydrocortisone as a model drug. The B S -type phase-solubility diagram of hydrocortisone with γ-cyclodextrin was thoroughly characterized by measuring the concentrations of hydrocortisone and γ-cyclodextrin in solution and the solid phase. The drug-solubilizer interaction was also studied by isothermal titration calorimetry from which a precise value of the 1:1 binding constant (K 11 =4.01mM -1 at 20°C) was obtained. The formation of water-soluble 1:1 complexes is responsible for the initial increase in hydrocortisone solubility while the precipitation of entities with a 3:2 ratio of γ-cyclodextrin:hydrocortisone is responsible for the plateau and the ensuing strong decrease in solubility once all solid hydrocortisone is used up. The complete phase-solubility diagram is well accounted for by a model employing the 1:1 binding constant and the solubility product of the precipitating 3:2 entity (K 32 S =5.51 mM 5 ). For such systems, a small surplus of γ-cyclodextrin above the optimum concentration may result in a significant decrease in drug solubility, and the implications for drug formulations are briefly discussed. Copyright © 2017 Elsevier B.V. All rights reserved.

  2. Universal block diagram based modeling and simulation schemes for fractional-order control systems.

    Science.gov (United States)

    Bai, Lu; Xue, Dingyü

    2017-05-08

    Universal block diagram based schemes are proposed for modeling and simulating the fractional-order control systems in this paper. A fractional operator block in Simulink is designed to evaluate the fractional-order derivative and integral. Based on the block, the fractional-order control systems with zero initial conditions can be modeled conveniently. For modeling the system with nonzero initial conditions, the auxiliary signal is constructed in the compensation scheme. Since the compensation scheme is very complicated, therefore the integrator chain scheme is further proposed to simplify the modeling procedures. The accuracy and effectiveness of the schemes are assessed in the examples, the computation results testify the block diagram scheme is efficient for all Caputo fractional-order ordinary differential equations (FODEs) of any complexity, including the implicit Caputo FODEs. Copyright © 2017 ISA. Published by Elsevier Ltd. All rights reserved.

  3. Roto-flexoelectric coupling impact on the phase diagrams and pyroelectricity of thin SrTiO3 films

    Science.gov (United States)

    Morozovska, Anna N.; Eliseev, Eugene A.; Bravina, Svetlana L.; Borisevich, Albina Y.; Kalinin, Sergei V.

    2012-09-01

    The influence of the flexoelectric and rotostriction coupling on the phase diagrams of ferroelastic-quantum paraelectric SrTiO3 films was studied using Landau-Ginzburg-Devonshire theory. The phase diagrams in coordinates temperature-film thickness were calculated for different epitaxial misfit strains. Tensile misfit strains stimulate appearance of the spontaneous out-of-plane structural order parameter (displacement vector of an appropriate oxygen atom from its cubic position) in the structural phase. Compressive misfit strains stimulate appearance of the spontaneous in-plane structural order parameter. Gradients of the structural order parameter components, which inevitably exist in the vicinity of film surfaces due to the termination and symmetry breaking, induce improper polarization and pyroelectric response via the flexoelectric and rotostriction coupling mechanism. Flexoelectric and rotostriction coupling results in the roto-flexoelectric field that is antisymmetric inside the film, small in the central part of the film, where the gradients of the structural parameter are small, and maximal near the surfaces, where the gradients of the structural parameter are highest. The field induces improper polarization and pyroelectric response. Penetration depths of the improper phases (both polar and structural) can reach several nm from the film surfaces. An improper pyroelectric response of thin films is high enough to be registered with planar-type electrode configurations by conventional pyroelectric methods.

  4. De Vaucouleurs-Ikeuchi Diagram and Commutation Relations among Phase Space Coordinates

    Science.gov (United States)

    Fukuyama, Takeshi; Kikuchi, Tatsuru

    We consider the relations between de Vaucouleurs-Ikeuchi diagram and generalized commutation relations among the coordinates and momenta. All physical objects in the Universe ranging from elementary particles to super-cluster of galaxies are confined within the Triangle of the de Vaucouleurs-Ikeuchi diagram on the matter density versus scale length plane. These three boundaries are characterized by the quantum uncertainty principle, gravitational event horizon, and cosmological constant. These are specified by the nonzero commutation relations [xμ, pν], [xμ, xν] (strictly [xi, t]) and [pμ, pν], respectively. The canonical commutation relation [xi, pj] are slightly modified, which preserves the self consistency as a whole.

  5. New Bedform Phase Diagrams and Discriminant Functions for Formative Conditions of Bedforms in Open-Channel Flows

    Science.gov (United States)

    Ohata, Koji; Naruse, Hajime; Yokokawa, Miwa; Viparelli, Enrica

    2017-11-01

    Understanding of the formative conditions of fluvial bedforms is significant for both river management and geological studies. Diagrams showing bedform stability conditions have been widely used for the analyses of sedimentary structures. However, the use of discriminants to determine the boundaries of different bedforms regimes has not yet been explored. In this study, we use discriminant functions to describe formative conditions for a range of fluvial bedforms in a 3-D dimensionless parametric space. We do this by means of discriminant analysis using the Mahalanobis distance. We analyzed 3,793 available laboratory and field data and used these to produce new bedform phase diagrams. These diagrams employ three dimensionless parameters representing properties of flow hydraulics and sediment particles as their axes. The discriminant functions for bedform regimes proposed herein are quadratic functions of three dimensionless parameters and are expressed as curved surfaces in 3-D space. These empirical functions can be used to estimate paleoflow velocities from sedimentary structures. As an example of the reconstruction of hydraulic conditions, we calculated the paleoflow velocity of the 2011 Tohoku-Oki tsunami backwash flow from the sedimentary structures of the tsunami deposit. In so doing, we successfully reconstructed reasonable values of the paleoflow velocities.

  6. Effect of Difference in Fatty Acid Chain Lengths of Medium- Chain Lipids on Lipid/Surfactant/Water Phase Diagrams and Drug Solubility

    Directory of Open Access Journals (Sweden)

    Hetal N. Prajapati

    2011-09-01

    Full Text Available Lipids consisting of medium chain fatty acids are commonly used in the development of lipid-based selfemulsifying and self-microemulsifying drug delivery systems. However, no systematic approach to selecting one lipid over another has been reported in the literature. In this study, propylene glycol (PG monoester (PG monocaprylate, Capmul PG-8® and PG diester (PG dicaprylocaprate, Captex 200P® of C8-fatty acids were compared with PG monoester (PG monolaurate, Capmul PG-12® and PG diester (PG dilaurate, Capmul PG-2L® of C12-fatty acids with respect to their phase diagrams, and especially for their ability to form microemulsions in the presence of a common surfactant, Cremophor EL®, and water. The solubility of two model drugs, danazol and probucol, in the lipids and lipid/surfactant mixtures were also compared. The effect of the chain length of medium-chain fatty acids (C8 versus C12 on the phase diagrams of the lipids was minimal. Both shorter and longer chain lipids formed essentially similar microemulsion and emulsion regions in the presence of Cremophor EL® and water, although the C12-fatty acid esters formed larger gel regions in the phase diagrams than the C8-fatty acid esters. When monoesters were mixed with their respective diesters at 1:1 ratios, larger microemulsion regions with lower lipid particle sizes were observed compared to those obtained with individual lipids alone. While the solubility of both danazol and probucol increased greatly in all lipids studied, compared to their aqueous solubility, the solubility in C12-fatty acid esters was found to be lower than in C8-fatty acid esters when the lipids were used alone. This difference in solubility due to the difference in fatty acid chain length, practically disappeared when the lipids were combined with the surfactant.

  7. Toward Robust Model Identification in Interactive Influence Diagrams Using Mutual Information

    DEFF Research Database (Denmark)

    Zeng, Yifeng; Doshi, Prashant

    2008-01-01

    Modeling the perceived behaviors of other agents improves the performance of an agent in multiagent interactions. We utilize the language of interactive influence diagrams to model repeated interactions between the agents, and ascribe procedural models to other agents. Procedural models offer the...... the space. We then seek to identify models that are relevant to the observed behaviors of others and show how the agent may learn to identify these models. We evaluate the performance of our methods in two repeated games and provide experimental results in support.......Modeling the perceived behaviors of other agents improves the performance of an agent in multiagent interactions. We utilize the language of interactive influence diagrams to model repeated interactions between the agents, and ascribe procedural models to other agents. Procedural models offer...... the benefit of understanding how others arrive at their behaviors. Asmodel spaces are often bounded, the true models of others may not be present in the model space. In addition to considering the case when the true model is within the model space, we investigate the case when the true model may fall outside...

  8. Determination of the succinonitrile-benzene and succinonitrile-cyclohexanol phase diagrams by thermal and UV spectroscopic analysis

    Science.gov (United States)

    Kaukler, W. F.; Frazier, D. O.; Facemire, B.

    1984-01-01

    Equilibrium temperature-composition diagrams were determined for the two organic systems, succinonitrile-benzene and succinonitrile-cyclohexanol. Measurements were made using the common thermal analysis methods and UV spectrophotometry. Succinonitrile-benzene monotectic was chosen for its low affinity for water and because UV analysis would be simplified. Succinonitrile-cyclohexanol was chosen because both components are transparent models for metallic solidification, as opposed to the other known succinonitrile-based monotectics.

  9. Improved Approximation of Interactive Dynamic Influence DiagramsUsing Discriminative Model Updates

    DEFF Research Database (Denmark)

    Prashant, Doshi; Zeng, Yifeng

    2009-01-01

    Interactive dynamic influence diagrams (I-DIDs) are graphical models for sequential decision making in uncertain settings shared by other agents. Algorithms for solving I-DIDs face the challenge of an exponentially growing space of candidate models ascribed to other agents, over time. We formalize...... the concept of a minimal model set, which facilitates qualitative comparisons between different approximation techniques. We then present a new approximation technique that minimizes the space of candidate models by discriminating between model updates. We empirically demonstrate that our approach improves...

  10. The phase diagram of BaFe2(As1-xPx)2 as determined by neutron diffraction

    Science.gov (United States)

    Allred, Jared; Taddei, Keith; Bugaris, Daniel; Avci, Sevda; Chmaissem, Omar; Dela Cruz, Clarina; Chung, Duck Young; Kanatzidis, Mercouri; Rosenkranz, Stephan; Osborn, Ray

    2013-03-01

    The iron-arsenides are a now famous family of high-Tc superconductors where the superconducting state is stabilized by suppressing a magnetic ground state in a parent compound. The phenomenon is quite robust, and BaFe2As2, for example, can be made superconducting either by applying pressure or by electron, hole, or isovalent doping. The isovalently doped BaFe2(As1-xPx)2 materials are particularly interesting because it is not obvious what is driving the suppression of the SDW and enhancing Tc. The driving force has been variously ascribed to chemical pressure, changes in polarity of the Fe-(As,P) bond, and other even more subtle chemical effects. Moreover, reports on various general features in the iron-arsenide phase diagram--such as short-range nematic order and the separation of the Néel transition (TN) and the structural transition (Ts) --remain contradictory and underexplored. We have undertaken a detailed neutron diffraction study of the phase diagram in order to clarify some of the ambiguities. We find that Ts = TN and that the superconducting dome rises more sharply than for the aliovalently doped materials. Moreover, the T dependence of the structural and magnetic order parameters and a discontinuous increase in c/ a below TN suggest a first order phase transition.

  11. Structural phase transition and phase diagram of half doped organometallic compound [(CH3)2NH2]Mn0.5Ni0.5(HCOO)3

    Science.gov (United States)

    Chakraborty, Tirthankar; Swain, Diptikanta; Yadav, Ruchika; Row, T. N. Guru; Elizabeth, Suja

    2017-11-01

    Structural phase transition in half doped compound [(CH3)2NH2]Mn0.5Ni0.5(HCOO)3 is investigated. Differential scanning calorimetry data indicated this to be a distinct transition with enthalpy 465.6 J/mol. Powder X-ray diffraction at different temperature shows structural phase transition from trigonal R-3c to monoclinic Cc through co-existing mixed phase. Based on the experimental results, a phase diagram has been proposed. This phase transition is confirmed to be of first order nature by specific heat measurement. Entropy change and latent heat of the phase transition are also calculated from specific heat which are found to be 2.53 J/mol-K and 412 J/mol respectively.

  12. Search for inhomogeneous phases in fermionic models

    Science.gov (United States)

    Braun, Jens; Finkbeiner, Stefan; Karbstein, Felix; Roscher, Dietrich

    2015-06-01

    We revisit the Gross-Neveu model with N fermion flavors in 1 +1 dimensions and compute its phase diagram at finite temperature and chemical potential in the large-N limit. To this end, we double the number of fermion degrees of freedom in a specific way which allows us to detect inhomogeneous phases in an efficient manner. We show analytically that this "fermion doubling trick" predicts correctly the position of the boundary between the chirally symmetric phase and the phase with broken chiral symmetry. Most importantly, we find that the emergence of an inhomogeneous ground state is predicted correctly. We critically analyze our approach based on this trick and discuss its applicability to other theories, such as fermionic models in higher dimensions, where it may be used to guide the search for inhomogeneous phases.

  13. Perancangan Model Data Flow Diagram Untuk Mengukur Kualitas Website Menggunakan Webqual 4.0

    Directory of Open Access Journals (Sweden)

    Karina Hapsari

    2017-05-01

    Full Text Available The more competition the e-commerce company and the development of technology company in Indonesia, website of Zalora Indonesia traffic rank declining. Measuring the quality of website by using WebQual 4.0 will help manage the web to be able to adjust the quality of the web with user perception.  The research aims to make design of Data Flow Diagram model to measure website quality using WebQual 4.0 based on user satisfaction variable. A case study was conducted on the Zalora Indonesia website. Data Flow model is used to make design of system model recommendation, while WebQual 4.0 method is used to measure website quality to user satisfaction. The research data using primary data in the form of questionnaires involving 384 respondents in the city of Bandung who had transacted on the website Zalora Indonesia. Data analysis technique applies descriptive analysis. Based on the research result on the quality of the website Zalora Indonesia, simultaneous positive and significant impact on user satisfaction Zalora Indonesia website. t test result showed that three variables partially have a posotive impact on user satisfaction Zalora Indonesia website is usability quality, information quality and service interaction quality, with Information quality variable has largest impact. Therefore, the modeling system using the Context Diagram-Data Flow Diagram focused on information quality variable.

  14. The use of UML activity diagrams and the i* language in the modeling of the balanced scorecard implantation process

    OpenAIRE

    Haya, Mariela; Franch, Xavier; Mayol, Enric

    2005-01-01

    Business management is a complex task that can be facilitated using different methodologies and models. One of their most relevant purposes is to align the organization strategy with the daily functioning of the organization. One of these models is the Balanced Scorecard (BSC). In this paper, we propose a modeling strategy for the BSC implantation process. We will model it using UML Activity Diagrams and Strategy Dependency models of the language i*. The Activity Diagrams allow determining th...

  15. Phase diagrams of a nonequilibrium mixed spin-1/2 and spin-2 Ising ferrimagnetic system under a time-dependent oscillating magnetic field

    International Nuclear Information System (INIS)

    Keskin, M.; Canko, O.; Gueldal, S.

    2009-01-01

    We present phase diagrams for a nonequilibrium mixed spin-1/2 and spin-2 Ising ferrimagnetic system on a square lattice in the presence of a time dependent oscillating external magnetic field. We employ the Glauber transition rates to construct the mean-field dynamical equations. The time variation of the average magnetizations and the thermal behavior of the dynamic magnetizations are investigated, extensively. The nature (continuous or discontinuous) of the transitions is characterized by studying the thermal behaviors of the dynamic magnetizations. The dynamic phase transition points are obtained and the phase diagrams are presented in two different planes. Phase diagrams contain paramagnetic (p) and ferrimagnetic (i) phases, and one coexistence or mixed phase region, namely the i+p, that strongly depend on interaction parameters. The system exhibits the dynamic tricritical point and the reentrant behaviors.

  16. Phase diagrams of a nonequilibrium mixed spin-1/2 and spin-2 Ising ferrimagnetic system under a time-dependent oscillating magnetic field

    Energy Technology Data Exchange (ETDEWEB)

    Keskin, M., E-mail: keskin@erciyes.edu.t [Department of Physics, Erciyes University, 38039 Kayseri (Turkey); Canko, O. [Department of Physics, Erciyes University, 38039 Kayseri (Turkey); Gueldal, S. [Institute of Science, Erciyes University, 38039 Kayseri (Turkey)

    2009-12-14

    We present phase diagrams for a nonequilibrium mixed spin-1/2 and spin-2 Ising ferrimagnetic system on a square lattice in the presence of a time dependent oscillating external magnetic field. We employ the Glauber transition rates to construct the mean-field dynamical equations. The time variation of the average magnetizations and the thermal behavior of the dynamic magnetizations are investigated, extensively. The nature (continuous or discontinuous) of the transitions is characterized by studying the thermal behaviors of the dynamic magnetizations. The dynamic phase transition points are obtained and the phase diagrams are presented in two different planes. Phase diagrams contain paramagnetic (p) and ferrimagnetic (i) phases, and one coexistence or mixed phase region, namely the i+p, that strongly depend on interaction parameters. The system exhibits the dynamic tricritical point and the reentrant behaviors.

  17. Phase diagrams of high-order critical phenomene and high-temperature equilibria in the H2O-HgI2-PbI2 system

    International Nuclear Information System (INIS)

    Valyashko, V.M.; Urusova, M.A.

    1996-01-01

    The paper studies the principal schemes of complete state diagram of volatile component-two non-volatile components three-component system with tricritical point and sequence of phase transformations at variation of temperature, pressure and composition of mixture. H 2 O-HgI 2 -PbI 2 system, solid phase dissolving process, stratification of solutions and critical phenomena under 200-400 deg C are studied experimentally. General nature of the system phase diagram and parameters of three-phase equilibrium critical point (tricritical point), that is, gas-liquid 1 -liquid 2 are determined. 17 refs., 8 figs., 3 tabs

  18. Deviation from bulk in the pressure-temperature phase diagram of V2O3 thin films

    Science.gov (United States)

    Valmianski, I.; Ramirez, Juan Gabriel; Urban, C.; Batlle, X.; Schuller, Ivan K.

    2017-04-01

    We found atypical pressure dependence in the transport measurements of the metal to insulator transition (MIT) in epitaxial thin films of vanadium sesquioxide (V2O3 ). Three different crystallographic orientations and four thicknesses, ranging from 40 to 500 nm, were examined under hydrostatic pressures (Ph) of up to 1.5 GPa. All of the films at transition exhibited a four order of magnitude resistance change, with transition temperatures ranging from 140 to 165 K, depending on the orientation. This allowed us to build pressure-temperature phase diagrams of several orientations and film thicknesses. Interestingly, for pressures below 500 MPa, all samples deviate from bulk behavior and show a weak transition temperature (Tc) pressure dependence (d Tc/d Ph=1.2 ×10-2±0.3 ×10-2K /MPa ), which recovers to bulklike behavior (3.9 ×10-2±0.3 ×10-2K /MPa ) at higher pressures. Furthermore, we found that pressurization leads to morphological but not structural changes in the films. This indicates that the difference in the thin film and bulk pressure-temperature phase diagrams is most probably due to pressure-induced grain boundary relaxation, as well as both plastic and elastic deformations in the film microstructure. These results highlight the difference between bulk and thin films behaviors.

  19. Conduvtivity, NMR, Thermal Measurements and Phase Diagram of the K2S2O7-KHSO4 System

    DEFF Research Database (Denmark)

    Eriksen, Kim Michael; Fehrmann, Rasmus; Hatem, Gerard

    1996-01-01

    The phase diagram of the catalytically important K2S2O7-KHSO4 molten salt solvent system has been investigated by electrochemical, thermal and spectroscopic methods.It is of the simple eutectic type with a temperature of fusion of 205C for the eutectic composition, X(KHSO4)= 0.94. The conductivit......The phase diagram of the catalytically important K2S2O7-KHSO4 molten salt solvent system has been investigated by electrochemical, thermal and spectroscopic methods.It is of the simple eutectic type with a temperature of fusion of 205C for the eutectic composition, X(KHSO4)= 0.......94. The conductivities of the solid and molten K2S2O7-KHSO4 system were measured at 13 different compositions in the whole composition range, X(KHSO4)= 0-1. The conductivity of the molten mixtures were fitted to polynomia of the second degree.The results indicated delocalization of the conducting ions compared...

  20. Phase diagrams and magnetic properties of CaCu3Fe2Os2O12 quadruple perovskite: Monte Carlo study

    Science.gov (United States)

    Sidi Ahmed, S.; Ngantso, G. Dimitri; Bahmad, L.; Benyoussef, A.; El Kenz, A.

    2018-01-01

    In this paper, a Monte Carlo Simulation (MCS) has been used to study the quadruple perovskite oxide CaCu3Fe2Os2O12. The system has been conceived as a mixture of atoms with the magnetic moments Cu (±1/2), Fe (±5/2, ±3/2, ±1/2) and Os (±3/2, ±1/2). Phase diagrams depending on reduced exchange couplings and reduced crystal fields have been established. A stable ferromagnetic phase at the ground state has been found. Investigation of magnetic properties has been focused on the finite size analysis of magnetization and magnetic susceptibility according to reduced temperatures. Critical temperature has been calculated through simulation and the compound has been found to belong in the three-dimensional Ising model universality class.

  1. Phase diagrams of antiferromagnetic spin-1 bosons on a square optical lattice with the quadratic Zeeman effect

    Science.gov (United States)

    de Forges de Parny, L.; Rousseau, V. G.

    2018-02-01

    We study the quadratic Zeeman effect (QZE) in a system of antiferromagnetic spin-1 bosons on a square lattice and derive the ground-state phase diagrams by means of quantum Monte Carlo simulations and mean-field treatment. The QZE imbalances the populations of the magnetic sublevels σ =±1 and σ =0 , and therefore affects the magnetic and mobility properties of the phases. Both methods show that the tip of the even Mott lobes, stabilized by singlet state, is destroyed when turning on the QZE, thus leaving the space to the superfluid phase. Contrariwise, the tips of odd Mott lobes remain unaffected. Therefore, the Mott-superfluid transition with even filling strongly depends on the strength of the QZE, and we show that the QZE can act as a control parameter for this transition at fixed hopping. Using quantum Monte Carlo simulations, we elucidate the nature of the phase transitions and examine in detail the nematic order: the first-order Mott-superfluid transition with even filling observed in the absence of QZE becomes second order for weak QZE, in contradistinction to our mean-field results which predict a first-order transition in a larger range of QZE. Furthermore, a spin nematic order with director along the z axis is found in the odd Mott lobes and in the superfluid phase for energetically favored σ =±1 states. In the superfluid phase with even filling, the x y components of the nematic director remain finite only for moderate QZE.

  2. Effect of self-interaction on the phase diagram of a Gibbs-like measure derived by a reversible Probabilistic Cellular Automata

    International Nuclear Information System (INIS)

    Cirillo, Emilio N.M.; Louis, Pierre-Yves; Ruszel, Wioletta M.; Spitoni, Cristian

    2014-01-01

    Cellular Automata are discrete-time dynamical systems on a spatially extended discrete space which provide paradigmatic examples of nonlinear phenomena. Their stochastic generalizations, i.e., Probabilistic Cellular Automata (PCA), are discrete time Markov chains on lattice with finite single-cell states whose distinguishing feature is the parallel character of the updating rule. We study the ground states of the Hamiltonian and the low-temperature phase diagram of the related Gibbs measure naturally associated with a class of reversible PCA, called the cross PCA. In such a model the updating rule of a cell depends indeed only on the status of the five cells forming a cross centered at the original cell itself. In particular, it depends on the value of the center spin (self-interaction). The goal of the paper is that of investigating the role played by the self-interaction parameter in connection with the ground states of the Hamiltonian and the low-temperature phase diagram of the Gibbs measure associated with this particular PCA

  3. Disentangling phase transitions and critical points in the proton–neutron interacting boson model by catastrophe theory

    Directory of Open Access Journals (Sweden)

    J.E. García-Ramos

    2014-09-01

    Full Text Available We introduce the basic concepts of catastrophe theory needed to derive analytically the phase diagram of the proton–neutron interacting boson model (IBM-2. Previous studies [1–3] were based on numerical solutions. We here explain the whole IBM-2 phase diagram including the precise order of the phase transitions in terms of the cusp catastrophe.

  4. Phase diagram of Ti-B-C system in the temperature range of 300-3500 K

    International Nuclear Information System (INIS)

    Gusev, A.I.

    1996-01-01

    Calculation of phase equilibrium in the ternary system Ti-B-C in the areas of the TiC y -TiB 2 and B 4 C y -TiB 2 cross sections as well as partial construction of three-dimensional (spatial)diagram of the Ti-B-C system within the temperature range of 300-3500 K is carried out. The form of the isothermal cross section of the ternary system remains almost unchanged up to 1900 K. The most essential change is related to disordering of the low-temperature ordered phases Ti 2 C, Ti 3 C and Ti 6 C 5 of the titanium carbide at T > 950 K [ru

  5. High-pressure phase diagram of the drug mitotane in compressed and/or supercritical CO{sub 2}

    Energy Technology Data Exchange (ETDEWEB)

    Favareto, Rogerio [Department of Chemical Engineering, State University of Maringa (UEM), Av. Colombo, 5790, Bloco D-90, 87020-900 Maringa, PR (Brazil); Pereira, Jose R.D. [Department of Physique, State University of Maringa (UEM), Av. Colombo, 5790, Bloco G-56, 87020-900 Maringa, PR (Brazil); Santana, Cesar C. [College of Chemical Engineering, State University of Campinas (UNICAMP), Cx. Postal 6066, 13083-970 Campinas, SP (Brazil); Madureira, Ed H. [College of Veterinary Medicine and Zootechny, University of Sao Paulo (USP), Av. Duque de Caxias Norte, 225, 13635-900 Pirassununga, SP (Brazil); Cabral, Vladimir F. [Department of Chemical Engineering, State University of Maringa (UEM), Av. Colombo, 5790, Bloco D-90, 87020-900 Maringa, PR (Brazil); Tavares, Frederico W. [School of Chemical, Federal University of Rio de Janeiro (UFRJ), Cidade Universitaria, Ilha do Fundao, 21949-900 Rio de Janeiro, RJ (Brazil); Cardozo-Filho, Lucio, E-mail: cardozo@deq.uem.b [Department of Chemical Engineering, State University of Maringa (UEM), Av. Colombo, 5790, Bloco D-90, 87020-900 Maringa, PR (Brazil)

    2010-02-15

    This work provides experimental phase diagram of mitotane, a drug used in the chemotherapy treatment of adrenocortical carcinoma, in compressed and/or supercritical CO{sub 2}. The synthetic-static method in a high-pressure variable-volume view cell coupled with a transmitted-light intensity probe was used to measure the solid-fluid (SF) equilibrium data. The phase equilibrium experiments were determined in temperature ranging from (298.2 to 333.1) K and pressure up to 22 MPa. Peng-Robinson equation of state (PR-EoS) with classical mixing rule was used to correlate the experimental data. Excellent agreement was found between experimental and calculated values.

  6. Charge-transfer complexes from decamethylferrocene and 1,4-quinone derivatives: neutral-ionic phase diagrams for metallocene complexes.

    Science.gov (United States)

    Mochida, Tomoyuki; Funasako, Yusuke; Azumi, Hiroko

    2011-09-28

    Charge-transfer (CT) complexes of ferrocenes with 1,4-quinone derivatives were investigated. Deca- and octamethylferrocene complexes with 1,4-naphthoquinone derivatives were prepared and structurally characterized; these were neutral 1:2 DA complexes with mixed-stack structures. The formation of complexes with 1,4-benzoquinones was examined by applying solvent-drop grinding. CT energies and phase transitions in these neutral and other ionic complexes were investigated. Their electronic states are discussed on the basis of the phase diagrams derived for mixed-stack ferrocene-based CT complexes, taking into account their dependence on the DA ratio, dimensionality, and intermolecular interactions. This journal is © The Royal Society of Chemistry 2011

  7. Investigation and thermodynamic calculation of phase diagram of CdI2-PbI2-NaI system

    International Nuclear Information System (INIS)

    Storonkin, A.V.; Vasil'kova, I.V.; Korobkov, S.V.

    1976-01-01

    Using the thermographic and X-ray phase analyses binary CdI 2 -PbI 2 , PI 2 -NaI, CdI 2 -NaI systems and a triple CdI 2 -PbI 2 -NaI system are investigated and their melting diagrams are plotted. A method of thermodynamic calculation has been proposed and tested of the shape of the eutectic lines for the system CdI 2 -PbI 2 -NaI, taking into account the non-ideality of the liquid phase. The method uses data obtained for the binary systems. The liquidus surface of the triple system has been constructed on the basis of the calculation. The results of the calculation of the triple eutectics are in good agreement with the experimental data

  8. Conductivity, Thermal Measurements, and Phase Diagram of the Na2S2O7-NaHSO4 System

    DEFF Research Database (Denmark)

    Hatem, G.; Gaune-Escard, M.; Rasmussen, Søren Birk

    1999-01-01

    The conductivity of the Na2S2O7-NaHSO4 binary system has been measured for 15 different compositions in the full composition range, and in the temperature range 400-700 K.Phase transition temperatures were obtained, and the phase diagram constructed. It is of thesimple eutectic type, where......, as found earlier for theK2S2O7-KHSO4 system. For each composition measured of the Na2S2O7-NaHSO4 system inthe molten state, the conductivity has been expressed by equations of the form = A(X) +B(X)(T - Tm) + C(X)(T-Tm)^2, where Tm is the intermediate temperature of the measuredtemperature range....

  9. Structure and phase diagram of an adhesive colloidal dispersion under high pressure: a small angle neutron scattering, diffusing wave spectroscopy, and light scattering study.

    Science.gov (United States)

    Vavrin, R; Kohlbrecher, J; Wilk, A; Ratajczyk, M; Lettinga, M P; Buitenhuis, J; Meier, G

    2009-04-21

    We have applied small angle neutron scattering (SANS), diffusing wave spectroscopy (DWS), and dynamic light scattering (DLS) to investigate the phase diagram of a sterically stabilized colloidal system consisting of octadecyl grafted silica particles dispersed in toluene. This system is known to exhibit gas-liquid phase separation and percolation, depending on temperature T, pressure P, and concentration phi. We have determined by DLS the pressure dependence of the coexistence temperature and the spinodal temperature to be dP/dT=77 bar/K. The gel line or percolation limit was measured by DWS under high pressure using the condition that the system became nonergodic when crossing it and we determined the coexistence line at higher volume fractions from the DWS limit of turbid samples. From SANS measurements we determined the stickiness parameter tau(B)(P,T,phi) of the Baxter model, characterizing a polydisperse adhesive hard sphere, using a global fit routine on all curves in the homogenous regime at various temperatures, pressures, and concentrations. The phase coexistence and percolation line as predicted from tau(B)(P,T,phi) correspond with the determinations by DWS and were used to construct an experimental phase diagram for a polydisperse sticky hard sphere model system. A comparison with theory shows good agreement especially concerning the predictions for the percolation threshold. From the analysis of the forward scattering we find a critical scaling law for the susceptibility corresponding to mean field behavior. This finding is also supported by the critical scaling properties of the collective diffusion.

  10. Revision of the Ge–Ti phase diagram and structural stability of the new phase Ge{sub 4}Ti{sub 5}

    Energy Technology Data Exchange (ETDEWEB)

    Bittner, Roland W. [University of Vienna, Department of Inorganic Chemistry/Materials Chemistry, Währingerstraße 42, 1090 Wien (Austria); Colinet, Catherine [Science et Ingénierie des Matériaux et Procédés, Grenoble INP, UJF, CNRS, 38402 Saint Martin d’Hères Cedex (France); Tedenac, Jean-Claude [Institut de Chimie Moléculaire et des Matériaux I.C.G., UMR-CNRS 5253, Université Montpellier II, Place E. Bataillon, 34095 Montpellier Cedex 5 (France); Richter, Klaus W., E-mail: klaus.richter@univie.ac.at [University of Vienna, Department of Inorganic Chemistry/Materials Chemistry, Währingerstraße 42, 1090 Wien (Austria)

    2013-11-15

    Highlights: •New compound Ge{sub 4}Ti{sub 5} found by experiments and by DFT ground state calculations. •Enthalpies of formation calculated for different Ge–Ti compounds. •Modifications of the Ge–Ti phase diagram suggested. -- Abstract: The binary phase diagram Ge–Ti was investigated experimentally by powder X-ray diffraction, scanning electron microscopy including EDX analysis, and differential thermal analysis. Total energies of the compounds GeTi{sub 3}, GeTi{sub 2}, Ge{sub 3}Ti{sub 5}, Ge{sub 4}Ti{sub 5}, Ge{sub 5}Ti{sub 6}, GeTi and Ge{sub 2}Ti were calculated for various structure types employing electronic density-functional theory (DFT). Experimental studies as well as electronic calculations show the existence of a new phase Ge{sub 4}Ti{sub 5} (Ge{sub 4}Sm{sub 5}-type, oP36, Pnma) which is formed in a solid state reaction Ge{sub 3}Ti{sub 5} + Ge{sub 5}Ti{sub 6} = Ge{sub 4}Ti{sub 5}. In addition, a significant homogeneity range was observed for the compound Ge{sub 3}Ti{sub 5} and the composition of the liquid phase in the eutectic reaction L = Ge + Ge{sub 2}Ti was found to be at significant higher Ge-content (97.5 at.% Ge) than reported in previous studies. Based on these new results, a modified phase diagram Ge–Ti is suggested. The zero-temperature lattice parameters and the formation enthalpies determined by DTF calculations were found to be in good agreement with experimental data.

  11. Ground-state phase diagram, fermionic entanglement and kinetically-induced frustration in a hybrid ladder with localized spins and mobile electrons

    Science.gov (United States)

    Carvalho, R. C. P.; Pereira, M. S. S.; de Oliveira, I. N.; Strečka, J.; Lyra, M. L.

    2017-09-01

    We introduce an exactly solvable hybrid spin-ladder model containing localized nodal Ising spins and interstitial mobile electrons, which are allowed to perform a quantum-mechanical hopping between the ladder’s legs. The quantum-mechanical hopping process induces an antiferromagnetic coupling between the ladder’s legs that competes with a direct exchange coupling of the nodal spins. The model is exactly mapped onto the Ising spin ladder with temperature-dependent two- and four-spin interactions, which is subsequently solved using the transfer-matrix technique. We report the ground-state phase diagram and compute the fermionic concurrence to characterize the quantum entanglement between the pair of interstitial mobile electrons. We further provide a detailed analysis of the local spin ordering including the pair and four-spin correlation functions around an elementary plaquette, as well as, the local ordering diagrams. It is shown that a complex sequence of distinct local orderings and frustrated correlations takes place when the model parameters drive the investigated system close to a zero-temperature triple coexistence point.

  12. Modeling of liquid phases

    CERN Document Server

    Soustelle, Michel

    2015-01-01

    This book is part of a set of books which offers advanced students successive characterization tool phases, the study of all types of phase (liquid, gas and solid, pure or multi-component), process engineering, chemical and electrochemical equilibria, and the properties of surfaces and phases of small sizes. Macroscopic and microscopic models are in turn covered with a constant correlation between the two scales. Particular attention has been given to the rigor of mathematical developments. This second volume in the set is devoted to the study of liquid phases.

  13. Tetrafluoromethane monolayer physisorbed on graphite : its orientational walls and its complex phase diagram

    OpenAIRE

    Croset , B.; Marti , C.; Thorel , P.; Lauter , H.

    1982-01-01

    Neutron diffraction results for a monolayer of CF4 physisorbed on different graphites show the complexity of the system, mainly due to the non spherical shape of the admolecule. From our neutron data and LEED results [6] we recognize at least 6 different phases. These are, with decreasing temperature, liquid, plastic, commensurate solid, incommensurate solid, incommensurate tilted and a surprising triple-peaked incommensurate phase. This low temperature phase is especially studied and compare...

  14. Binary phase diagrams based on elements VIIIA and IB periods of the D.I. Mendeleev’s table and features of crystallographic parameters

    Science.gov (United States)

    Potekaev, A. I.; Klopotov, A. A.; Porobova, S. A.; Klopotov, V. D.; Markova, T. N.; Imanaliev, M. I.

    2017-01-01

    The data obtained as a result of the analysis of crystallogeometric parameters and the structure of state diagrams of binary systems from elements VIIIA and IB periods of the D.I. Mendeleev’s table are presented. It is shown that the classification of the evolution of phase diagrams of binary systems by types, proposed by T.A. Lebedev, correlates with features of concentration dependences of the deviation of atomic volumes in solid solutions from Zen law.

  15. Application of dual-anneal diffusion multiples to the effective study of phase diagrams and phase transformations in the Fe–Cr–Ni system

    International Nuclear Information System (INIS)

    Cao, Siwei; Zhao, Ji-Cheng

    2015-01-01

    A dual-anneal diffusion multiple (DADM) approach is developed for effective determination of intermediate-temperature phase diagrams that are critical to the establishment of reliable thermodynamic databases. A large amount of phase equilibrium data was obtained from DADMs to construct the Fe–Cr–Ni isothermal sections at 1200, 900, 800 and 700 °C. The DADM approach is also a systematic and effective way to study phase precipitation from wide ranges of compositions, thus generating rich atlases of microstructures induced by various transformations. The results from this study indicate that the body-centered cubic to sigma phase transformation in the Fe–Cr–Ni system took place initially through a massive transformation mechanism

  16. Phase diagram of the system Ca–Ti–O at 1200 K

    Indian Academy of Sciences (India)

    Phase relations in the system Ca–Ti–O have been established by equilibration of several samples at 1200 K for prolonged periods and identification of phases in quenched samples by optical and scanning electron microscopy, XRD and EDS. Samples representing 20 compositions in the ternary system were analyzed.

  17. "Cooperative collapse" of the denatured state revealed through Clausius-Clapeyron analysis of protein denaturation phase diagrams.

    Science.gov (United States)

    Tischer, Alexander; Machha, Venkata R; Rösgen, Jörg; Auton, Matthew

    2018-02-19

    Protein phase diagrams have a unique potential to identify the presence of additional thermodynamic states even when non-2-state character is not readily apparent from the experimental observables used to follow protein unfolding transitions. Two-state analysis of the von Willebrand factor A3 domain has previously revealed a discrepancy in the calorimetric enthalpy obtained from thermal unfolding transitions as compared with Gibbs-Helmholtz analysis of free energies obtained from the Linear Extrapolation Method (Tischer and Auton, Prot Sci 2013; 22(9):1147-60). We resolve this thermodynamic conundrum using a Clausius-Clapeyron analysis of the urea-temperature phase diagram that defines how ΔH and the urea m-value interconvert through the slope of c m versus T, (∂cm/∂T)=ΔH/(mT). This relationship permits the calculation of ΔH at low temperature from m-values obtained through iso-thermal urea denaturation and high temperature m-values from ΔH obtained through iso-urea thermal denaturation. Application of this equation uncovers sigmoid transitions in both cooperativity parameters as temperature is increased. Such residual thermal cooperativity of ΔH and the m-value confirms the presence of an additional state which is verified to result from a cooperative phase transition between urea-expanded and thermally-compact denatured states. Comparison of the equilibria between expanded and compact denatured ensembles of disulfide-intact and carboxyamidated A3 domains reveals that introducing a single disulfide crosslink does not affect the presence of the additional denatured state. It does, however, make a small thermodynamically favorable free energy (∼-13 ± 1 kJ/mol) contribution to the cooperative denatured state collapse transition as temperature is raised and urea concentration is lowered. The thermodynamics of this "cooperative collapse" of the denatured state retain significant compensations between the enthalpy and entropy contributions to the overall

  18. Light elements in the core: Effects of impurities on the phase diagram of iron

    OpenAIRE

    Cote, A. S.; Vocadlo, L.; Brodholt, J. P.

    2008-01-01

    The stable phase of iron ( Fe) in the Earth's core has been the subject of extensive studies, yet still remains controversial. Hexagonal close-packed structure (hcp) is the accepted stable form of pure Fe; however, it has been recently proposed that a body-centered-cubic (bcc) structured alloy of Fe with lighter elements would be a strong candidate. Experiments and ab initio calculations have shown that small amounts of silicon can stabilize the bcc phase with respect to the hcp phase. In thi...

  19. Phase diagram of Janus particles: The missing dimension of pressure anisotropy

    Science.gov (United States)

    Rezvantalab, Hossein; Beltran-Villegas, Daniel J.; Larson, Ronald G.

    2017-08-01

    Brownian dynamics simulations of single-patch Janus particles under sedimentation equilibrium reveal that the phases found at fixed temperature and volume fraction are extremely sensitive to small changes in lateral box dimension. We trace this sensitivity to an uncontrolled parameter, namely, the pressure component parallel to the hexagonally ordered layers formed through sedimentation. We employ a flexible-cell constant-pressure scheme to achieve explicit control over this usually overlooked parameter, enabling the estimation of phase behavior under given pressure anisotropy. Our results show an increase in the stability range of an orientationally ordered lamellar phase with lateral layer compression and suggest a novel mechanism to control solid-solid phase transitions with negligible change in system volume, thus showing prospect for design of novel structures and switchable crystals from anisotropic building blocks.

  20. A computer calculation of the ternary Mo-Pd-Rh phase diagram

    International Nuclear Information System (INIS)

    Guerler, R.; Pratt, J.N.

    1993-01-01

    Thermodynamic coefficients for the phases in the binary Mo-Pd, Pd-Rh and Mo-Rh systems were derived by the assessment of the available experimental data using the binary Lukas optimization program. The resulting coefficients were first successfully utilised in reestablishing the binaries. The coefficients thus obtained in the binary computation were combined with ternary descriptions to compute ternary isothermal sections. Although no ternary interaction term was involved in the construction of the isotherms, the section calculated at 1373 K is found to be consistent with the experimentally established isothermal section at the same temperature. The location of three-phase field (bcc+hcp+fcc) and phase boundaries in both isotherms are matching reasonably well. Combining only binary coefficients of these phases, it is possible to construct reasonable isothermal sections at different temperatures. Following this conclusion, isothermal sections ranging from 1373 to 2673 K of the ternary Mo-Pd-Rh system were calculated. (orig.)

  1. Rare Earth Electrochemical Property Measurements and Phase Diagram Development in a Complex Molten Salt Mixture for Molten Salt Recycle

    Energy Technology Data Exchange (ETDEWEB)

    Zhang, Jinsuo; Guo, Shaoqiang

    2018-03-30

    novel process using a galvanic couple between a cathode basket made of stainless steel and a Gd rod is investigated in LiCl-KCl-UCl3-MgCl2. The process shows rapid reduction of UCl3 to U and MgCl2 to Mg without any co-reduction of LaCl3, NdCl3, or CeCl3 because of the higher standard potential of Gd3+/Gd. Electrolysis of the molten salt results in a perturbation of the composition, which in turn can affect the equilibrium phase behavior. Studies on phase behavior in more complex salt mixtures as will be encountered in real electrorefiner salt drawdown are very limited. In present research, the solidus and liquidus temperatures for four quaternary LiCl-KCl-CsCl-RECl3 (RE = La, Nd, Ce, and Gd) salt systems are analyzed by differential scanning calorimetry (DSC) measurement. The presence of CsCl causes a slight depression in the liquidus temperature for all of the four rare earth chloride mixtures when compared to the corresponding ternary system liquidus temperatures in the absence of any CsCl. Thermodynamic assessment for the LiCl-KCl-LnCl3 ternary system(here Gd as a reprehensive of Ln) has been carried out by CALPHAD method using two-sublattice model. From the optimized phase diagram, the solubility of GdCl3 in LiCl-KCl eutectic is obtained. This model can also be applied to other salt system to evaluate the thermodynamic properties of other REs in pyroprocessing salt systems with more components. In the end, an electrolysis model is developed to predict the electrolysis process for RE drawdown from LiCl-KCl salt. The model considers both the diffusion in electrolyte and Faraday process on the electrode surface and a surface layer is introduced to account for the fact that diffusion current is not necessarily equal to the current due to the Butler-Volmer equation. Using the fundamental data obtained from this study, the proposed model is validated by chronoamperometry and chronopotentiometry experimental data.

  2. In Defense of an Accelerating Universe: Model Insensitivity of the Hubble Diagram

    Science.gov (United States)

    Ringermacher, Harry I.; Mead, Lawrence R.

    2018-01-01

    A recently published paper by Nielsen, Guffanti & Sarkar (. Sci. Rep. 6, 35596, Oct. 2016) argues that the evidence for cosmic acceleration is marginal and that a coasting universe - the “Milne Universe” - fits the same supernovae data in a Hubble diagram nearly as well. Other papers have since jumped on the bandwagon. The Milne Universe has negative spatial curvature, but is Riemann-flat. Nevertheless, we confirm that the Milne model fits the data just as well as LCDM. We show that this unexpected result points to a weakness in the Hubble diagram rather than to a failure in LCDM. It seems the Hubble diagram is insensitive to spatial curvature. To be specific, the spatial curvature dependences of the comoving radius in the luminosity distance nearly exactly cancel the energy density differences. That is, r(LCDM) = sinh[r(Milne)]. By transforming the distance modulus vs. redshift data to scale factor vs. cosmological time data, for each curvature, k = {+1, 0, -1}, the curvature dependence of the data is effectively separated thus permitting a more precise fit of the Omega parameters to the scale factor data to decide the correct model. Here we present the data and both models in a scale factor vs. cosmological time plot. The difference of the means of the k = 0 and k =-1 data separate at a 2-sigma confidence level. The LCDM fit to the k = 0 data are consistent with an accelerating universe to 99% confidence. The Milne universe fits the k =-1 data to no better than about 70% confidence. This is consistent with independent CMB and BAO observations supporting a flat universe.

  3. Fragile phase stability in (1-x)Pb(Mg1/3Nb2/3O3)-xPbTiO3 crystals: A comparison of [001] and [110] field-cooled phase diagrams

    International Nuclear Information System (INIS)

    Cao, Hu; Li, Jiefang; Viehland, D.; Xu, Guangyong

    2006-01-01

    Phase diagrams of [001] and [110] field-cooled (FC) (1-x)Pb(Mg 1/3 Nb 2/3 O 3 )-xPbTiO 3 or PMN-xPT (0.15≤x≤0.38) crystals have been constructed, based on high-resolution x-ray diffraction data. Comparisons reveal several interesting findings. First, a region of abnormal thermal expansion (c≠a) above the dielectric maximum was found, whose stability range extended to higher temperatures on application of electric field (E). Second, the rhombohedral (R) phase of the zero-field-cooled (ZFC) state was replaced by monoclinic M A in the [001] FC diagram, but with monoclinic M B in the [110] FC. Third, the monoclinic M C phase in the ZFC and [001] FC diagram was replaced by an orthorhombic (O) phase in the [110] FC diagram. Finally, in the [001] FC diagram, the phase boundary between tetragonal (T) and M A phases was extended to lower PT content (x=0.25); whereas in the [110] FC diagram, this extended region was entirely replaced by the O phase. These results clearly demonstrate that the phase stability of PMN-xPT crystals is quite fragile--depending not only on modest changes in E, but also on the direction along which E is applied

  4. Isothermal sections of phase equilibria diagrams for systems (terbium, dysprosium, holmium)-molybdenum-boron at 1273 K

    International Nuclear Information System (INIS)

    Kuz'ma, Yu.B.; Zakharchuk, N.P.; Maksimova, L.T.

    1988-01-01

    The methods of X-ray analysis are used to study the R-Mo-B (R-Tb, Dy, Ho) systems and isothermal sections of phase equilibria diagrams at 1273 K are plotted. A formation of RMoB 4 (structure of the YCrB 4 type) is confirmed and borides R 3 MoB 7 (structure of the Er 3 CrB 7 type) and ∼ RMo 4 B 8 (of the unknown structure) are obtained for the first time. Borides DyMoB 3 and HoMoB 3 are of the ErMoB 3 structure. Lattice periods of new compounds are indicated. Diffractogrammes of borides Dy 3 MoB 7 and DyMoB 3 are calculated. A peculiarity of components interaction in the systems rare-earth metal-molybdenum-boron is considered

  5. Phase Diagram of Hydrogen and a Hydrogen-Helium Mixture at Planetary Conditions by Quantum Monte Carlo Simulations

    Science.gov (United States)

    Mazzola, Guglielmo; Helled, Ravit; Sorella, Sandro

    2018-01-01

    Understanding planetary interiors is directly linked to our ability of simulating exotic quantum mechanical systems such as hydrogen (H) and hydrogen-helium (H-He) mixtures at high pressures and temperatures. Equation of state (EOS) tables based on density functional theory are commonly used by planetary scientists, although this method allows only for a qualitative description of the phase diagram. Here we report quantum Monte Carlo (QMC) molecular dynamics simulations of pure H and H-He mixture. We calculate the first QMC EOS at 6000 K for a H-He mixture of a protosolar composition, and show the crucial influence of He on the H metallization pressure. Our results can be used to calibrate other EOS calculations and are very timely given the accurate determination of Jupiter's gravitational field from the NASA Juno mission and the effort to determine its structure.

  6. Pressure and temperature phase diagram of Gd{sub 2}Ti{sub 2}O{sub 7} under irradiation

    Energy Technology Data Exchange (ETDEWEB)

    Catillon, G. [Université Paris-Est, G2I, EA4119, 5 Blvd. Descartes, F-77454 Marne la Vallée Cedex 2 (France); Chartier, A., E-mail: alain.chartier@cea.fr [CEA, DEN, DMN, SCCME, F-91191 Gif-Sur-Yvette Cedex (France)

    2014-11-21

    The pressure and temperature phase diagram of Gd{sub 2}Ti{sub 2}O{sub 7} under irradiation are calculated by means of molecular dynamics calculations. The critical temperature for amorphization obeys a linear law with pressure. Gd{sub 2}Ti{sub 2}O{sub 7} under irradiation transits towards the fluorite above this temperature and amorphizes below. The configuration of the Ti interstitial reveals to be the key of the amorphizability of Gd{sub 2}Ti{sub 2}O{sub 7}. Its stability depends upon disorder and pressure. Low pressure promotes the stabilization of Ti linked-polyhedra that drive the system to the amorphous state under irradiation. Conversely, high pressure activates its destabilization to interstitials that recombine with vacancies, driving the system to the fluorite structure under irradiation.

  7. An investigation of difficulties experienced by students developing unified modelling language (UML) class and sequence diagrams

    Science.gov (United States)

    Sien, Ven Yu

    2011-12-01

    Object-oriented analysis and design (OOAD) is not an easy subject to learn. There are many challenges confronting students when studying OOAD. Students have particular difficulty abstracting real-world problems within the context of OOAD. They are unable to effectively build object-oriented (OO) models from the problem domain because they essentially do not know "what" to model. This article investigates the difficulties and misconceptions undergraduate students have with analysing systems using unified modelling language analysis class and sequence diagrams. These models were chosen because they represent important static and dynamic aspects of the software system under development. The results of this study will help students produce effective OO models, and facilitate software engineering lecturers design learning materials and approaches for introductory OOAD courses.

  8. Pressure-temperature stability, Ca2+ binding, and pressure-temperature phase diagram of cod parvalbumin: Gad m 1.

    Science.gov (United States)

    Somkuti, Judit; Bublin, Merima; Breiteneder, Heimo; Smeller, László

    2012-07-31

    Fish allergy is associated with IgE-mediated hypersensitivity reactions to parvalbumins, which are small calcium-binding muscle proteins and represent the major and sole allergens for 95% of fish-allergic patients. We performed Fourier transform infrared and tryptophan fluorescence spectroscopy to explore the pressure-temperature (p-T) phase diagram of cod parvalbumin (Gad m 1) and to elucidate possible new ways of pressure-temperature inactivation of this food allergen. Besides the secondary structure of the protein, the Ca(2+) binding to aspartic and glutamic acid residues was detected. The phase diagram was found to be quite complex, containing partially unfolded and molten globule states. The Ca(2+) ions were essential for the formation of the native structure. A molten globule conformation appears at 50 °C and atmospheric pressure, which converts into an unordered aggregated state at 75 °C. At >200 MPa, only heat unfolding, but no aggregation, was observed. A pressure of 500 MPa leads to a partially unfolded state at 27 °C. The complete pressure unfolding could only be reached at an elevated temperature (40 °C) and pressure (1.14 GPa). A strong correlation was found between Ca(2+) binding and the protein conformation. The partially unfolded state was reversibly refolded. The completely unfolded molecule, however, from which Ca(2+) was released, could not refold. The heat-unfolded protein was trapped either in the aggregated state or in the molten globule state without aggregation at elevated pressures. The heat-treated and the combined heat- and pressure-treated protein samples were tested with sera of allergic patients, but no change in allergenicity was found.

  9. Isothermal section of Nd-Mn-As phase diagram at 800 C

    Energy Technology Data Exchange (ETDEWEB)

    Gu, Zheng Fei; Hu, Kai; Cheng, Gang; Lin, Rui San; Hong, Liang Jie [Guilin Univ. of Electronic Technology, School of Material Science and Engineering, Guangxi (China); Xu, Cheng Fu [Guilin Univ. of Electronic Technology, School of Material Science and Engineering, Guangxi (China); Guilin Univ. of Aerospace Technology, Dept. of Mechanical Engineering, Guangxi (China)

    2015-09-15

    The isothermal section of the Nd-Mn-As ternary system at 800 C has been constructed in this work by using X-ray diffraction, scanning electron microscopy and energy dispersive X-ray spectroscopy techniques. This isothermal section consists of 11 single-phase regions, 19 two-phase regions and 9 three-phase regions. The maximum solubility of As in (Mn) is about 2.602 at.% As and that of Mn in Mn{sub 3}As and NdAs is below 1 at.% Mn. The highest solid solubility of Nd in MnAs is less than 1.25 at.% Nd. The decomposition temperature of NdAs{sub 2} → NdAs + As is about 668 C. The phase Nd{sub 3}As could be slowly composed by peritectic reaction L + NdAs → Nd{sub 3}As at higher temperature. The phase Mn3As still exists under this experimental condition. No ternary compound was found to exist in this section at 800 C.

  10. Phase diagrams of the Tb–Ag–In and Dy–Ag–In systems at 870 K

    International Nuclear Information System (INIS)

    Demchyna, M.; Belan, B.; Manyako, M.; Pietraszko, A.; Kalychak, Ya.

    2012-01-01

    The phase equilibria of Tb–Ag–In and Dy–Ag–In ternary systems have been studied at 870 K in the whole concentration range by means of X-ray powder, single crystal X-ray diffraction and EDX analyses. Isothermal sections of Tb–Ag–In and Dy–Ag–In phase diagrams at this temperature have been constructed. Both systems are characterized by formation of three ternary compounds: REAg 3 In 3 (YbAg 2 In 4 -type, space group Im-3), REAg 2 In (MnCu 2 Al-type, space group Fm-3m) and RE 2 AgIn 3 (CaIn 2 -type, space group P6 3 /mmc) RE=Tb, Dy. Homogeneity ranges of the ternary phases with CaIn 2 structure type lies from 35 to 60 at% of In for Tb-containing phase and from 39 to 50 at% of In for Dy-containing phase. The existence of solid solutions based on REAg (CsCl-type, space group Pm-3m) binary compounds up to 30 at% of In and REIn 3 (AuCu 3 -type, space group Pm-3 m) binary compounds up to 5 at% of Ag has been found. - Graphical Abstract: Phase relations in the ternary systems Tb–Ag–In and Dy–Ag–In have been established for the isothermal section at T=870 K based on X-ray powder and single crystal diffraction analyses. The existence of three ternary compounds in each system were observed. Highlights: ► Isothermal section of Tb–Ag–In system at T=870 K was constructed. ► Isothermal section of Dy–Ag–In system at T=870 K was constructed. ► Three ternary compounds and two solid solutions in each system were detected.

  11. The phase diagram of a part of the system Ti-Hf-O

    International Nuclear Information System (INIS)

    Ruda, G.I.; Vavilova, V.V.

    1979-01-01

    Using the methods of physico-chemical analysis phase equilibria in Ti-Hf-O system in the concentration range up to 50 at.% Hf and 33 at.% O are investigated. Detected is the existence of wide region of ternary α-solid solutions Ti(Hf,O). The temperature increase reduces it due to extention of two-phase region (α+β). Alloy systems are subjected to transformations connected with Ti and Hf polymorphism. Solubility boundary α/α+γ(HfO 2 ) (20 - 25 at.% range) is constant from 40O to 1600 deg C

  12. HP-67 calculator programs for thermodynamic data and phase diagram calculations

    Energy Technology Data Exchange (ETDEWEB)

    Brewer, L.

    1978-05-25

    This report is a supplement to a tabulation of the thermodynamic and phase data for the 100 binary systems of Mo with the elements from H to Lr. The calculations of thermodynamic data and phase equilibria were carried out from 5000/sup 0/K to low temperatures. This report presents the methods of calculation used. The thermodynamics involved is rather straightforward and the reader is referred to any advanced thermodynamic text. The calculations were largely carried out using an HP-65 programmable calculator. In this report, those programs are reformulated for use with the HP-67 calculator; great reduction in the number of programs required to carry out the calculation results.

  13. Thermodynamic analysis of 6xxx series Al alloys: Phase fraction diagrams

    OpenAIRE

    Cui S.; Mishra R.; Jung I.-H.

    2018-01-01

    Microstructural evolution of 6xxx Al alloys during various metallurgical processes was analyzed using accurate thermodynamic database. Phase fractions of all the possible precipitate phases which can form in the as-cast and equilibrium states of the Al-Mg-Si-Cu-Fe-Mn-Cr alloys were calculated over the technically useful composition range. The influence of minor elements such as Cu, Fe, Mn, and Cr on the amount of each type of precipitate in the as-cast and equilibrium conditions were analyzed...

  14. The Use of a Block Diagram Simulation Language for Rapid Model Prototyping

    Science.gov (United States)

    Whitlow, Johnathan E.; Engrand, Peter

    1996-01-01

    The research performed this summer was a continuation of work performed during the 1995 NASA/ASEE Summer Fellowship. The focus of the work was to expand previously generated predictive models for liquid oxygen (LOX) loading into the external fuel tank of the shuttle. The models which were developed using a block diagram simulation language known as VisSim, were evaluated on numerous shuttle flights and found to well in most cases. Once the models were refined and validated, the predictive methods were integrated into the existing Rockwell software propulsion advisory tool (PAT). Although time was not sufficient to completely integrate the models developed into PAT, the ability to predict flows and pressures in the orbiter section and graphically display the results was accomplished.

  15. Phase diagram of antimony up to 31 GPa and 835 K

    Science.gov (United States)

    Coleman, A. L.; Stevenson, M.; McMahon, M. I.; Macleod, S. G.

    2018-04-01

    X-ray powder diffraction experiments using resistively heated diamond anvil cells have been conducted in order to establish the phase behavior of antimony up to 31 GPa and 835 K. The dip in the melting curve at 5.7 GPa and 840 K is identified as the triple point between the Sb-I, incommensurate Sb-II, and liquid phases. No evidence of the previously reported simple cubic phase was observed. Determination of the phase boundary between Sb-II and Sb-III suggests the existence of a second triple point in the region of 13 GPa and 1200 K. The incommensurate composite structure of Sb-II was found to remain ordered to the highest temperatures studies—no evidence of disordering of the guest-atom chains was observed. Indeed, the modulation reflections that arise from interactions between the host and guest subsystems were found to be present to the highest temperatures, suggesting such interactions remain relatively strong in Sb even in the presence of increased thermal motion. Finally, we show that the incommensurately modulated structure recently reported as giving an improved fit to diffraction data from incommensurate Ba-IV can be rejected as the structure of Sb-II using a simple density argument.

  16. Surface Reconstruction Phase Diagrams for InAs, AlSb, and GaSb

    National Research Council Canada - National Science Library

    Bracker, A. S; Yang, M. J; Bnnett, B. R; Culbertson, J. C; Moore, W. J

    2000-01-01

    ... for optimizing growth conditions. Phase boundaries for InAs (0 0 1) [(2*4)->(4*2)], AlSb (0 0 1) [c(4*4)->(1*3)], and GaSb (0 0 1) [(2*5)_>(1*3)] are presented as a function of substrate temperature and Group V-limited growth rate...

  17. The magnetic and nematic phase diagram of Ba1-xSrxFe2-yNiyAs2

    Science.gov (United States)

    Gong, Dongliang; Li, Shiliang; SC8, National Lab for superconductivity, IOP, CAS Team

    The correlation between magnetic and nematic orders has been widely studied in iron-based superconductors. The magnetic and nematic phase transitions may be both first order as in SrFe2As2,o or both second order as in BaFe2-xNixAs2. Within spin-nematic scenario, it is possible for a system to establish the nematic phase as second order while keeping the magnetic transition first-ordered. Experimentally, it is rather hard to distinguish a second-order transition from a weakly first-order transition. Here we have systematically studied the nematic susceptibility and magnetic susceptibility in the iron-based superconductor Ba1-xSrxFe2-yNiyAs2 by elastoresistivity and magnetic susceptibility measurements, respectively. The evolutions of the nematic and magnetic transitions from first order to second order can be continuously tuned by the substitution of Sr by Ba. Our results give a phase diagram that is consistent with the spin-nematic theory. Chinese Academy of Sciences, Ministry of Science and Technology of China, e National Science Foundation of China, China Academy of Engineering Physics.

  18. Phase diagram of (Li(1-x)Fe(x))OHFeSe: a bridge between iron selenide and arsenide superconductors.

    Science.gov (United States)

    Dong, Xiaoli; Zhou, Huaxue; Yang, Huaixin; Yuan, Jie; Jin, Kui; Zhou, Fang; Yuan, Dongna; Wei, Linlin; Li, Jianqi; Wang, Xinqiang; Zhang, Guangming; Zhao, Zhongxian

    2015-01-14

    Previous experimental results have shown important differences between iron selenide and arsenide superconductors which seem to suggest that the high-temperature superconductivity in these two subgroups of iron-based families may arise from different electronic ground states. Here we report the complete phase diagram of a newly synthesized superconducting (SC) system, (Li1-xFex)OHFeSe, with a structure similar to that of FeAs-based superconductors. In the non-SC samples, an antiferromagnetic (AFM) spin-density-wave (SDW) transition occurs at ∼127 K. This is the first example to demonstrate such an SDW phase in an FeSe-based superconductor system. Transmission electron microscopy shows that a well-known √5×√5 iron vacancy ordered state, resulting in an AFM order at ∼500 K in AyFe2-xSe2 (A = metal ions) superconductor systems, is absent in both non-SC and SC samples, but a unique superstructure with a modulation wave vector q = (1)/2(1,1,0), identical to that seen in the SC phase of KyFe2-xSe2, is dominant in the optimal SC sample (with an SC transition temperature Tc = 40 K). Hence, we conclude that the high-Tc superconductivity in (Li1-xFex)OHFeSe stems from the similarly weak AFM fluctuations as FeAs-based superconductors, suggesting a universal physical picture for both iron selenide and arsenide superconductors.

  19. Thermodynamic properties of fluid mixtures at high pressures and high temperatures. Application to high explosives and to phase diagrams of binary mixtures

    International Nuclear Information System (INIS)

    Pittion-Rossillon, Gerard

    1982-01-01

    The free energy for mixtures of about ten species which are chemically reacting is calculated. In order to have accurate results near the freezing line, excess properties are deduced from a modern statistical mechanics theory. Intermolecular potentials for like molecules are fitted to give good agreement with shock experiments in pure liquid samples, and mixture properties come naturally from the theory. The stationary Chapman-Jouguet detonation wave is calculated with a chemical equilibrium computer code and results are in good agreement with experiment for a lot of various explosives. One then study gas-gas equilibria in a binary mixture and show the extreme sensitivity of theoretical phase diagrams to the hypothesis of the model (author) [fr

  20. Studies on the phase diagram of boron employing a neural network potential

    Energy Technology Data Exchange (ETDEWEB)

    Morawietz, Tobias; Behler, Joerg [Lehrstuhl fuer Theoretische Chemie, Ruhr-Universitaet Bochum (Germany); Parrinello, Michele [Department of Chemistry and Applied Biosciences, ETH Zuerich (Switzerland)

    2009-07-01

    The crystalline phases of elemental boron have a structural complexity unique in the periodic table. The complex connection pattern of the icosahedral building blocks forms a formidable challenge for the construction of accurate but efficient potentials. We present a high-dimensional neural network potential for boron, which is based on first-principles calculations and can be systematically improved. The potential is several orders of magnitude faster to evaluate than the underlying density-functional theory calculations and allows to perform long molecular dynamics and metadynamics simulations of large system. By a stepwise refinement of the potential and an application of the potential in metadynamics simulations we show that starting from random atomic positions the structure of {alpha}-boron is predicted in agreement with experiment. Further, pressure-induced phase transitions of {alpha}-boron are discussed.

  1. The QCD Phase Diagram, Equation of State, and Heavy Ion Collisions

    OpenAIRE

    Shuryak, E. V.

    2001-01-01

    After some historic remarks and a brief summary of recent theoretical news about the QCD phases, we turn to the issue of $freeze-out$ in heavy ion collisions. We argue that the chemical freeze-out line should actually consists of two crossing lines of different nature. We also consider some inelatic reactions which occure $after$ chemical freeze-out, emphasizing the role of overpopulation of pions. The $hydrodynamics$ (with or without hadronic afterburner) explaines SPS/RHIC data on radial an...

  2. Phase diagrams in blends of poly(3-hydroxybutyric acid with various aliphatic polyesters

    Directory of Open Access Journals (Sweden)

    2011-07-01

    Full Text Available Phase behavior with immiscibility, miscibility, crystalline morphology, and kinetic analysis in blends of poly(3-hydroxybutyric acid (PHB with aliphatic polyesters such as poly(butylene adipate (PBA, poly(ethylene adipate (PEA, poly(trimethylene adipate (PTA, or poly(ethylene succinate (PESu, respectively, were explored mainly using differential scanning calorimeter (DSC and polarized-light optical microscopy (POM. Immiscibility phase behavior with reversible upper-critical-solution-temperature (UCST is common in the PHB/polyester blends. The polyester/polyester blend of PHB/PTA is partially miscible with no UCST in melt and amorphous glassy states within a composition range of PTA less than 50 wt%. The miscible crystalline/crystalline blend exhibits ring-banded spherulites at Tc = 50~100°C, with inter-ring spacing dependent on Tc. All immiscible or partially miscible PHB/polyester blends, by contrast, exhibit disrupted ringbanded spherulites or discrete spherical phase domains upon cooling from UCST to crystallization. The blends of PHB with all other aliphatic polyesters, such as PESu, PEA, PBA, etc. are only partially miscible or immiscible with an upper critical solution temperature (UCST at 180~221°C depending on blend composition. UCST with reversibility was verified.

  3. Experimental investigation of the U–Zr–Al ternary phase diagram: Isothermal sections at 673 K and 1073 K

    Energy Technology Data Exchange (ETDEWEB)

    Moussa, C.; Désévédavy, F.; Noël, H.; Pasturel, M.; Gouttefangeas, F. [ISCR/CSM, Université de Rennes1, UMR-CNRS 6226, Campus de Beaulieu, 263 Avenue du Général Leclerc, 35042 Rennes Cedex, France, (France); Dubois, S. [CEA/DEN/DEC, Cadarache, 13108 St. Paul Lez Durance (France); Stepnik, B. [AREVA/CERCA, 10 Rue Juliette Récamier, 69006 Lyon (France); Tougait, O., E-mail: tougait@univ-rennes1.fr [ISCR/CSM, Université de Rennes1, UMR-CNRS 6226, Campus de Beaulieu, 263 Avenue du Général Leclerc, 35042 Rennes Cedex, France, (France); UCCS, UMR 8181 CNRS, Université Lille 1, ENSCL, Avenue Mendeleiev, 59655 Villeneuve d’Ascq Cedex (France)

    2015-06-15

    Highlights: • Isothermal sections of the U–Zr–Al system were investigated for 673 K and 1073 K. • The crystallographic properties of the equilibrium phases were checked. • The ternary extension of both unary and binary phases was determined. • The solubility of Al into UZr{sub 2} (δ-phase) was assessed by diffusion couples. • The microstructure of quenched alloys is discussed. - Abstract: Isothermal sections at 673 K and 1073 K of the ternary U–Zr–Al system were established in the whole concentration range, by means of powder X-ray diffraction, scanning electron microscopy–energy dispersive X-ray spectroscopy and differential thermal analysis. All measured compositions and unit-cell refinements were performed at room temperature from quenched samples annealed at 1073 K and 673 K for four and eight weeks respectively. For both temperatures, the Al-rich corner of the phase diagram is characterized by extended homogeneity ranges due to mutual exchange between U and Zr in UAl{sub 3} (cubic, AuCu{sub 3}-type) and in the Laves phase UAl{sub 2} (cubic, MgCu{sub 2}-type). Minute U solubility in ZrAl{sub 2} (hexagonal, MgZn{sub 2}-type) and in Zr{sub 2}Al (hexagonal, Ni{sub 2}In-type) was evaluated to be of the order of 1 at.% U. For the other binary compounds, the solubility of the third component was found negligible. At 1073 K, the solid solution based on γU (cubic, W-type) which covers the U–Zr binary axis up to 95.5 at.% Zr, allows also some limited solubility of Al [maximum of 5 at.%]. For Al-content below 66 at.%, most of the phase relations comprise equilibria between the Zr–Al binaries and the γ(U,Zr,Al) solid solution. At 673 K, the U–Zr axis is found in agreement with the literature data and no Al solubility could be detected in αU, αZr and UZr{sub 2} (δ phase). The phase relations are mainly established between Zr–Al binaries and αU. For monolithic UMo fuel with a Zr diffusion barrier foil cladded with Al, the main interaction

  4. Experimental investigation of the U–Zr–Al ternary phase diagram: Isothermal sections at 673 K and 1073 K

    International Nuclear Information System (INIS)

    Moussa, C.; Désévédavy, F.; Noël, H.; Pasturel, M.; Gouttefangeas, F.; Dubois, S.; Stepnik, B.; Tougait, O.

    2015-01-01

    Highlights: • Isothermal sections of the U–Zr–Al system were investigated for 673 K and 1073 K. • The crystallographic properties of the equilibrium phases were checked. • The ternary extension of both unary and binary phases was determined. • The solubility of Al into UZr 2 (δ-phase) was assessed by diffusion couples. • The microstructure of quenched alloys is discussed. - Abstract: Isothermal sections at 673 K and 1073 K of the ternary U–Zr–Al system were established in the whole concentration range, by means of powder X-ray diffraction, scanning electron microscopy–energy dispersive X-ray spectroscopy and differential thermal analysis. All measured compositions and unit-cell refinements were performed at room temperature from quenched samples annealed at 1073 K and 673 K for four and eight weeks respectively. For both temperatures, the Al-rich corner of the phase diagram is characterized by extended homogeneity ranges due to mutual exchange between U and Zr in UAl 3 (cubic, AuCu 3 -type) and in the Laves phase UAl 2 (cubic, MgCu 2 -type). Minute U solubility in ZrAl 2 (hexagonal, MgZn 2 -type) and in Zr 2 Al (hexagonal, Ni 2 In-type) was evaluated to be of the order of 1 at.% U. For the other binary compounds, the solubility of the third component was found negligible. At 1073 K, the solid solution based on γU (cubic, W-type) which covers the U–Zr binary axis up to 95.5 at.% Zr, allows also some limited solubility of Al [maximum of 5 at.%]. For Al-content below 66 at.%, most of the phase relations comprise equilibria between the Zr–Al binaries and the γ(U,Zr,Al) solid solution. At 673 K, the U–Zr axis is found in agreement with the literature data and no Al solubility could be detected in αU, αZr and UZr 2 (δ phase). The phase relations are mainly established between Zr–Al binaries and αU. For monolithic UMo fuel with a Zr diffusion barrier foil cladded with Al, the main interaction product is expected to involve the U

  5. Structural and magnetic phase diagram of CrAs and its relationship with pressure-induced superconductivity

    Science.gov (United States)

    Shen, Yao; Wang, Qisi; Hao, Yiqing; Pan, Bingying; Feng, Yu; Huang, Qingzhen; Harriger, L. W.; Leao, J. B.; Zhao, Yang; Chisnell, R. M.; Lynn, J. W.; Cao, Huibo; Hu, Jiangping; Zhao, Jun

    2016-02-01

    We use neutron diffraction to study the structure and magnetic phase diagram of the newly discovered pressure-induced superconductor CrAs. Unlike most magnetic unconventional superconductors where the magnetic moment direction barely changes upon doping, here we show that CrAs exhibits a spin reorientation from the a b plane to the a c plane, along with an abrupt drop of the magnetic propagation vector at a critical pressure (Pc≈0.6 GPa). This magnetic phase transition, accompanied by a lattice anomaly, coincides with the emergence of bulk superconductivity. With further increasing pressure, the magnetic order completely disappears near the optimal Tc regime (P ≈0.94 GPa). Moreover, the Cr magnetic moments tend to be aligned antiparallel between nearest neighbors with increasing pressure toward the optimal superconductivity regime. Our findings suggest that the noncollinear helimagnetic order is strongly coupled to structural and electronic degrees of freedom, and that the antiferromagnetic correlations between nearest neighbors might be essential for superconductivity.

  6. Critical Behavior and Macroscopic Phase Diagram of the Monoaxial Chiral Helimagnet Cr1/3NbS2.

    Science.gov (United States)

    Clements, Eleanor M; Das, Raja; Li, Ling; Lampen-Kelley, Paula J; Phan, Manh-Huong; Keppens, Veerle; Mandrus, David; Srikanth, Hariharan

    2017-07-26

    Cr 1/3 NbS 2 is a unique example of a hexagonal chiral helimagnet with high crystalline anisotropy, and has generated growing interest for a possible magnetic field control of the incommensurate spin spiral. Here, we construct a comprehensive phase diagram based on detailed magnetization measurements of a high quality single crystal of Cr 1/3 NbS 2 over three magnetic field regions. An analysis of the critical properties in the forced ferromagnetic region yields 3D Heisenberg exponents β = 0.3460 ± 0.040, γ = 1.344 ± 0.002, and T C  = 130.78 K ± 0.044, which are consistent with the localized nature the of Cr 3+ moments and suggest short-range ferromagnetic interactions. We exploit the temperature and magnetic field dependence of magnetic entropy change (ΔS M ) to accurately map the nonlinear crossover to the chiral soliton lattice regime from the chiral helimagnetic phase. Our observations in the low field region are consistent with the existence of chiral ordering in a temperature range above the Curie temperature, T C  < T < T*, where a first-order transition has been previously predicted. An analysis of the universal behavior of ΔS M (T,H) experimentally demonstrates for the first time the first-order nature of the onset of chiral ordering.

  7. A neutron diffraction and NMR study of the P-T phase diagram of Rb1-x(NH4)xI mixed crystals (x = 0.29,0.77)

    International Nuclear Information System (INIS)

    Wagonsicki, J; Lewicki, S; Kozlenko, D P; Kozak, A; Nawrocik, W; Kichanov, S E; Savenko, B N; Shchedrina, T

    2004-01-01

    The structure of Rb 1-x (NH 4 ) x I (x = 0.29,0.77) mixed crystals was studied by means of powder neutron diffraction in the temperature range 20-300 K and at ambient pressure. Measurements of spin-lattice relaxation time T 1 have been performed for polycrystalline samples of Rb 1-x (NH 4 ) x I (x = 0.29,0.77) in the temperature range 95-300 K and pressure range 0-800 MPa by the proton NMR technique using the saturation method. Activation parameters were obtained for a model of complex ammonium ion reorientations around two-fold C 2 and three-fold C 3 axes. The activation volume for different phases of the investigated compounds was determined. The experimental data were used for a construction of P-T phase diagram of Rb 1-x (NH 4 ) x I (x = 0.29,0.77) mixed crystals. The phase diagram of Rb 0.23 (NH 4 ) 0.77 I has similar features to that of NH 4 I. Four different phases were found to exist in the temperature and pressure range studied: a disordered α phase with an NaCl-type cubic structure, a disordered β phase with a CsCl-type cubic structure, a γ phase with a tetragonal structure and antiparallel ordering of ammonium ions, and a δ phase with a CsCl-type cubic structure and parallel order of ammonium ions. The phase diagram of Rb 0.71 (NH 4 ) 0.29 I contains only α and β phases, and is similar to that of RbI

  8. Phase diagram and universality of the Lennard-Jones gas-liquid system

    KAUST Repository

    Watanabe, Hiroshi

    2012-01-01

    The gas-liquid phase transition of the three-dimensional Lennard-Jones particles system is studied by molecular dynamics simulations. The gas and liquid densities in the coexisting state are determined with high accuracy. The critical point is determined by the block density analysis of the Binder parameter with the aid of the law of rectilinear diameter. From the critical behavior of the gas-liquid coexisting density, the critical exponent of the order parameter is estimated to be β = 0.3285(7). Surface tension is estimated from interface broadening behavior due to capillary waves. From the critical behavior of the surface tension, the critical exponent of the correlation length is estimated to be ν = 0.63(4). The obtained values of β and ν are consistent with those of the Ising universality class. © 2012 American Institute of Physics.

  9. The phase diagram of hydrogen with other elements, and applications to Jovian planet interiors

    Science.gov (United States)

    Hubbard, W. B.

    1988-01-01

    The physical properties of pure hydrogen are studied under conditions appropriate to the interiors of Jupiter and Saturn (pressure of about 10 Mbar, T of about 80,000 K), and of Uranus and Neptune (pressure of about 0.5 Mbar, T of about 5000 K). Metallization of hydrogen takes place in Jupiter and Saturn but not in Uranus and Neptune. Hydrogen will be in a strongly interacting liquid phase in the deep interiors of all of the Jovian planets. Consideration is given to cases of hydrogen mixed with cosmically abundant impurities such as helium, oxygen, and carbon. Observational results for abundances in Jovian planet atmospheres and their possible relation to processes in the deep interior and to flow measurements are discussed.

  10. Phase diagrams of a spin-1 Ising superlattice with alternating transverse field

    International Nuclear Information System (INIS)

    Saber, A.; Ez-Zahraouy, H.; Lo Russo, S.; Mattei, G.; Ainane, A.

    2003-01-01

    The effects of alternating transverse fields Ω a and Ω b on the critical behavior of an alternating spin-1 Ising superlattice are studied within an effective field theory with a probability distribution technique that accounts for the single-site spin correlation. Critical temperatures are calculated as a function of the thickness of the superlattice and the strength of the transverse field. Depending on the values of the transverse fields Ω a and Ω b , the critical temperature can increase or decrease with increasing the thickness of the film, such result is not obtained in the uniform transverse field case (Ω a = Ω b ). Furthermore, for each thickness L of the film, a long range ordered phase persist at low temperature for selected values of the transverse field Ω a and arbitrary values of Ω b . The effects of interlayer and intralayer exchange interactions are also examined

  11. Phase diagrams of a spin-1 Ising superlattice with alternating transverse field

    International Nuclear Information System (INIS)

    Saber, A.; Ez-Zahraouy, H.

    2000-09-01

    The effects of alternating transverse fields Ω a and Ω b on the critical behavior of an alternating spin-1 Ising superlattice are studied within an effective field theory with a probability distribution technique that accounts for the single-site spin correlations. Critical temperatures are calculated as a function of the thickness of the superlattice and the strength of the transverse field. Depending on the values of the transverse fields Ω a and Ω b , the critical temperature can increase or decrease with increasing the thickness of the film, such result is not obtained in the uniform transverse field case (Ω a = Ω b ). Furthermore, for each thickness L of the film, a long range ordered phase persists at low temperature for selected values of the transverse field Ω a and arbitrary values of Ω b . The effects of interlayer and intralayer exchange interactions are also examined. (author)

  12. Metallurgical study and phase diagram calculations of the Zr-Nb-Fe-(Sn,O) system

    International Nuclear Information System (INIS)

    Toffolon, C.

    2000-01-01

    The Framatome M5 TM Zr-Nb-O alloy with small amounts of Fe is of interest for nuclear applications (PWR fuel cladding).The behaviour of this kind of alloy for in-service conditions strongly depends on the microstructure. Therefore, a metallurgical study of alloys of the Zr-Nb-Fe-(O-Sn) system has been developed in order to study the influence of chemical composition variabilities of Nb, Fe and O and thermal treatments on the resultant microstructure. In order to get some insight on the physical metallurgy of Zr-Nb-Fe-(Sn,O) alloys and to minimize the experiments, it is useful to build a thermodynamic database. With this object, it was necessary to re-optimize and to calculate the low order binary systems such as Fe-Nb and Nb-Sn in order to assess the Zr-Nb-Fe-(Sn,O) system. Then, the experimental studies concerned: the influence of small variations in Nb and O contents on the α/β transus temperatures. A comparison between experimental results and thermodynamic predictions showed a good agreement; the precipitation kinetics of βNb and intermetallic phases in the α phase domain. These experiments showed that the kinetics depends on the initial metallurgical conditions; the determination of the crystallographic structure and the stoichiometry of the ternary Zr-Nb-Fe intermetallic compounds as a function of the temperature. Finally, these experimental data were used to propose a first assessment of the Zr-Nb-Fe(O∼1200 ppm) system. (author)

  13. The phase diagram of electron-doped La2-xCexCuO4-δ

    Science.gov (United States)

    Saadaoui, H.; Salman, Z.; Luetkens, H.; Prokscha, T.; Suter, A.; Macfarlane, W. A.; Jiang, Y.; Jin, K.; Greene, R. L.; Morenzoni, E.; Kiefl, R. F.

    2015-01-01

    Superconductivity is a striking example of a quantum phenomenon in which electrons move coherently over macroscopic distances without scattering. The high-temperature superconducting oxides (cuprates) are the most studied class of superconductors, composed of two-dimensional CuO2 planes separated by other layers that control the electron concentration in the planes. A key unresolved issue in cuprates is the relationship between superconductivity and magnetism. Here we report a sharp phase boundary of static three-dimensional magnetic order in the electron-doped superconductor La2-xCexCuO4-δ, where small changes in doping or depth from the surface switch the material from superconducting to magnetic. Using low-energy spin-polarized muons, we find that static magnetism disappears close to where superconductivity begins and well below the doping level at which dramatic changes in the transport properties are reported. These results indicate a higher degree of symmetry between the electron and hole-doped cuprates than previously thought.

  14. Critical point in the phase diagram of primordial quark-gluon matter from black hole physics

    Science.gov (United States)

    Critelli, Renato; Noronha, Jorge; Noronha-Hostler, Jacquelyn; Portillo, Israel; Ratti, Claudia; Rougemont, Romulo

    2017-11-01

    Strongly interacting matter undergoes a crossover phase transition at high temperatures T ˜1012 K and zero net-baryon density. A fundamental question in the theory of strong interactions, QCD, is whether a hot and dense system of quarks and gluons displays critical phenomena when doped with more quarks than antiquarks, where net-baryon number fluctuations diverge. Recent lattice QCD work indicates that such a critical point can only occur in the baryon dense regime of the theory, which defies a description from first principles calculations. Here we use the holographic gauge/gravity correspondence to map the fluctuations of baryon charge in the dense quark-gluon liquid onto a numerically tractable gravitational problem involving the charge fluctuations of holographic black holes. This approach quantitatively reproduces ab initio results for the lowest order moments of the baryon fluctuations and makes predictions for the higher-order baryon susceptibilities and also for the location of the critical point, which is found to be within the reach of heavy-ion collision experiments.

  15. Preparation and Evaluation of Tretinoin Microemulsion Based on Pseudo-Ternary Phase Diagram

    Directory of Open Access Journals (Sweden)

    Fatemeh Leis

    2012-06-01

    Full Text Available Purpose: The aim of the present research was to formulate a transparent microemolsion as a topical delivery system for tretinoin for the treatment of acne. Methods: Microemulsion formulations prepared by mixing appropriate amount of surfactant including Tween 80 and Labrasol, co-surfactant such as propylene glycol (PG and oil phase including isopropyl myristate – transcutol P (10:1 ratio. The prepared microemolsions were evaluated regarding their particle size, zeta potential, conductivity, stability, viscosity, differential scanning calorimetry (DSC, scanning electron microscopy (SEM, refractory index (RI and pH. Results: The results showed that maximum oil was incorporated in microemolsion system that was contained surfactant to co-surfactant ratio (Km of 4:1. The mean droplets size range of microemulsion formulation were in the range of 14.1 to 36.5 nm and its refractory index (RI and pH were 1.46 and 6.1, respectively. Viscosity range was 200-350 cps. Drug release profile showed 49% of the drug released in the first 8 hours of experiment belong to ME-7. Also, Hexagonal and cubic structures were seen in the SEM photograph of the microemulsions. Conclusion: physicochemical properties and in vitro release were dependent upon the contents of S/C, water and, oil percentage in formulations.Also, ME-7 may be preferable for topical tretinoin formulation.

  16. Small-angle neutron-scattering studies of the magnetic phase diagram of MnSi

    DEFF Research Database (Denmark)

    Harris, P.; Lebech, B.; Hae Seop Shim

    1995-01-01

    The antiferromagnetic order of MnSi has been studied as function of temperature and applied magnetic field using small-angle neutron scattering. The results were analyzed using the three-dimensional resolution function and the scattering cross-section to model the diffraction data. Physical...

  17. Estimating relative stability of polymorphs by generation of configurational free energy phase diagram

    DEFF Research Database (Denmark)

    Upadhyay, Pratik Pankaj; Dantuluri, Ajay K; Kumar, Lokesh

    2012-01-01

    , a new methodology for assessing thermodynamic T(t) of two polymorphs has been developed. Configurational free energy (G(c) ) of amorphous with respect to each polymorph was calculated to determine the T(t) . This method was used to determine the T(t) and polymorphic relationship of two model drugs...

  18. Electronic phase diagram of half-doped perovskite manganites on the plane of quenched disorder versus one-electron bandwidth

    Science.gov (United States)

    Tomioka, Y.; Ito, T.; Sawa, A.

    2018-01-01

    For half-doped manganese oxides that have a perovskite structure, R E1 -xA ExMn O3 (x =0.5 ) (RE and AE are rare-earth and alkaline-earth elements, respectively), the phase competition (stability) between the antiferromagnetic charge- or orbital-ordered insulator (CO/OO AFI), ferromagnetic metal (FM), layered (A-type) antiferromagnetic phase [AF(A)], and spin-glass-like insulator (SGI), have been studied using single crystals prepared by the floating zone method. The CO/OO AFI, FM, AF(A), and SGI are displayed on the plane of the disorder (the variance of the RE and AE cations) versus the effective one-electron bandwidth (the averaged ionic radius of the RE and AE). In the plane of the disorder versus the effective one-electron bandwidth, similar to the phase diagram of R E1 -xA ExMn O3 (x =0.45 ), the CO/OO AFI, FM, and SGI dominate at the lower-left, right, and upper regions, respectively. However, the CO/OO AFI for x =0.5 is more stable than that for x =0.45 , and it expands to the plane points that correspond to the R E0.5S r0.5Mn O3 (R E =Nd and Sm) specimens as the hole concentration is commensurate with the ordering of M n3 + /M n4 + with a ratio of 1/1. The y -dependent electronic phases for R E0.5(Sr1-yB ay ) 0.5Mn O3 (0 ≤y ≤0.5 ) (R E =Sm , N d0.5S m0.5 , Nd, and Pr) show that the AF(A) intervenes between the CO/OO AFI and FM. Besides the region around (La1-yP ry ) 0.5S r0.5Mn O3 (0 ≤y ≤1 ) that has a smaller disorder, the AF(A) also exists at the regions around R E0.5(Sr1-yB ay ) 0.5Mn O3 (0 disorder. This indicates that the AF(A) is rather robust against the increased disorder, even though an ordering of the (x2-y2 ) orbital occurs. This study has comprehensively investigated the effects of the disorder on the AF(A) as well as on the competition between the CO/OO AFI, FM, and AF(A) that is unique to x =0.5 . The comparison of phase diagrams between x =0.45 and 0.5 brings further insights into the understanding of the rich electronic phases of

  19. Shock Revival in Core-collapse Supernovae: A Phase-diagram Analysis

    Science.gov (United States)

    Gabay, Daniel; Balberg, Shmuel; Keshet, Uri

    2015-12-01

    We examine the conditions for the revival of the stalled accretion shock in core-collapse supernovae, in the context of the neutrino heating mechanism. We combine one-dimensional simulations of the shock revival process with a derivation of a quasi-stationary approximation, which is both accurate and efficient in predicting the flow. In particular, this approach is used to explore how the evolution of the accretion shock depends on the shock radius, RS, and velocity, VS (in addition to other global properties of the system). We do so through a phase-space analysis of the shock acceleration, aS, in the {R}S{--}{V}S plane, shown to provide quantitative insights into the initiation and nature of runaway expansion. In the particular case of an initially stationary ({V}S=0, {a}S=0) profile, the prospects for an explosion can be assessed by the initial signs of the partial derivatives of the shock acceleration, in analogy to a linear damped/anti-damped oscillator. If \\partial {a}S/\\partial {R}S\\lt 0 and \\partial {a}S/\\partial {V}S\\gt 0, runaway will likely occur after several oscillations, while if \\partial {a}S/\\partial {R}S\\gt 0, runaway expansion will commence in a non-oscillatory fashion. These two modes of runaway correspond to low and high mass accretion rates, respectively. We also use the quasi-stationary approximation to assess the advection-to-heating timescale ratio in the gain region, often used as an explosion proxy. Indeed, this ratio does tend to ∼1 in conjunction with runaway conditions, but neither this unit value nor the specific choice of the gain region as a point of reference appear to be unique in this regard.

  20. Contributions of the Model of Modelling Diagram to the Learning of Ionic Bonding: Analysis of A Case Study

    Science.gov (United States)

    Mendonça, Paula Cristina Cardoso; Justi, Rosária

    2011-08-01

    Current proposals for science education recognise the importance of students' involvement in activities aimed at favouring the understanding of science as a human, dynamic and non-linear construct. Modelling-based teaching is one of the alternatives through which to address such issues. Modelling-based teaching activities for ionic bonding were introduced. This topic was chosen because of both the high incidence of students' alternative conceptions and its abstract nature, which justify the need for understanding complex models. The diagram Model of Modelling was used as a theoretical construct during the development of the teaching activities, which were implemented in a Brazilian medium level public school class (16-18 years old students). The data collected were the written material and models produced by the students, the content-knowledge tests, the video-recording of the lessons, and the observations and field notes of both the teacher and the researcher who observed the lessons. The analysis of such data enabled the production of case studies for each of the student groups. In this paper, we analyse one of the case studies, looking for evidence about the way that specific elements of the teaching strategy supported students' learning. It supported our belief in the use of the Model of Modelling diagram as a theoretical construct with which to develop and analyse modelling-based teaching activities.