Rajagopal, K
1999-01-01
The QCD vacuum in which we live, which has the familiar hadrons as its excitations, is but one phase of QCD, and far from the simplest one at that. One way to better understand this phase and the nonperturbative dynamics of QCD more generally is to study other phases and the transitions between phases. We are engaged in a voyage of exploration, mapping the QCD phase diagram as a function of temperature T and baryon number chemical potential mu . Because of asymptotic freedom, the high temperature and high baryon density phases of QCD are more simply and more appropriately described in terms of quarks and gluons as degrees of freedom, rather than hadrons. The chiral symmetry breaking condensate which characterizes the vacuum phase melts away. At high densities, quarks form Cooper pairs and new condensates develop. The formation of such superconducting phases requires only weak attractive interactions; these phases may nevertheless break chiral symmetry and have excitations which are indistinguishable from thos...
QCD Phase Diagram with Imaginary Chemical Potential
Directory of Open Access Journals (Sweden)
Nakamura Atsushi
2012-02-01
Full Text Available We report our recent results on the QCD phase diagram obtained from the lattice QCD simulation. The location of the phase boundary between hadronic and QGP phases in the two-flavor QCD phase diagram is investigated. The imaginary chemical potential approach is employed, which is based on Monte Carlo simulations of the QCD with imaginary chemical potential and analytic continuation to the real chemical potential region.
Phase diagram of twisted mass lattice QCD
Sharpe, Stephen R.; Wu, Jackson M.
2004-11-01
We use the effective chiral Lagrangian to analyze the phase diagram of two-flavor twisted mass lattice QCD as a function of the normal and twisted masses, generalizing previous work for the untwisted theory. We first determine the chiral Lagrangian including discretization effects up to next-to-leading order (NLO) in a combined expansion in which m2π/(4πfπ)2˜aΛ (a being the lattice spacing, and Λ=ΛQCD). We then focus on the region where m2π/(4πfπ)2˜(aΛ)2, in which case competition between leading and NLO terms can lead to phase transitions. As for untwisted Wilson fermions, we find two possible phase diagrams, depending on the sign of a coefficient in the chiral Lagrangian. For one sign, there is an Aoki phase for pure Wilson fermions, with flavor and parity broken, but this is washed out into a crossover if the twisted mass is nonvanishing. For the other sign, there is a first order transition for pure Wilson fermions, and we find that this transition extends into the twisted mass plane, ending with two symmetrical second order points at which the mass of the neutral pion vanishes. We provide graphs of the condensate and pion masses for both scenarios, and note a simple mathematical relation between them. These results may be of importance to numerical simulations.
The magnetized effective QCD phase diagram
Ayala, Alejandro; Hernandez, L A; Loewe, M; Zamora, R
2015-01-01
The QCD phase diagram in the temperature versus quark chemical potential plane is studied in the presence of a magnetic field, using the linear sigma model coupled to quarks. It is shown that the decrease of the couplings with increasing field strength obtained in this model leads to the critical temperature for the phase transition to decrease with increasing field intensity (inverse magnetic catalysis). This happens provided that plasma screening is properly accounted for. It is also found that with increasing field strength the location of the critical end point (CEP) in the phase diagram moves toward lower values of the critical quark chemical potential and larger values of the critical temperature. In addition, the CEP approaches the temperature axis for large values of the magnetic field. We argue that a similar behavior is to be expected in QCD, since the physical impact of the magnetic field, regardless of strength, is to produce a spatial dimension reduction, whereby virtual quark-antiquark pairs are...
QCD phase diagram with isospin chemical potential
Brandt, Bastian B
2016-01-01
In this contribution we investigate the phase diagram of QCD in the presence of an isospin chemical potential. To alleviate the infrared problems of the theory associated with pion condensation, we introduce the pionic source as an infrared regulator. We discuss various methods to extrapolate the results to vanishing pionic source, including a novel method based on the singular value spectrum of the massive Dirac operator, a leading-order reweighting and a spline Monte-Carlo fit. Our main results concern the phase transition boundary between the normal and the pion condensation phases and the chiral/deconfinement transition temperature as a function of the chemical potential. In addition, we perform a quantitative comparison between our direct results and a Taylor-expansion obtained at zero chemical potential to assess the applicability range of the latter.
Exploring the QCD phase diagram through relativistic heavy ion collisions
Mohanty, Bedangadas
2013-01-01
We present a review of the studies related to establishing the QCD phase diagram through high energy nucleus-nucleus collisions. We particularly focus on the experimental results related to the formation of a quark-gluon phase, crossover transition and search for a critical point in the QCD phase diagram.
Fluctuations and the QCD Phase Diagram
Koch, Volker
2016-01-01
In this contribution we will discuss how the study of various fluctuation observables may be used to explore the phase diagram of the strong interaction. We will briefly summarize the present study of experimental and theoretical research in this area. We will then discuss various corrections and issues which need to be understood and applied for a meaningful comparison of experimental measurements with theoretical predictions. This contribution is dedicated to Andrzej Bialas on the occasion of his $80^{\\mathrm{th}}$ birthday.
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.
The QCD phase diagram from analytic continuation
Bellwied, R; Fodor, Z; Günther, J; Katz, S D; Ratti, C; Szabo, K K
2015-01-01
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 $\\mu_B\\approx 300$ 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 $N_t=$ 10, 12 and 16 lattices. By combining the analysis for these three observables we find, for the curvature, the value $\\kappa = 0.0149 \\pm 0.0021$.
Investigating the QCD phase diagram with hadron multiplicities at NICA
Becattini, F
2016-01-01
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.
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.)
QCD phase diagram from finite energy sum rules
Ayala, Alejandro; Dominguez, C A; Gutierrez, Enif; Loewe, M; Raya, Alfredo
2011-01-01
We study the QCD phase diagram at finite temperature and baryon chemical potential by relating the behavior of the light-quark condensate to the threshold energy for the onset of perturbative QCD. These parameters are connected to the chiral symmetry restoration and the deconfinement phase transition, respectively. This relation is obtained in the framework of finite energy QCD sum rules at finite temperature and density, with input from Schwinger-Dyson methods to determine the light-quark condensate. Results indicate that both critical temperatures are basically the same within some 3% accuracy. We also obtain bounds for the position of the critical end point, mu_{B c} >~ 300 MeV and T_c <~ 185 MeV.
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.)
Phase diagram of hot QCD in an external magnetic field
Energy Technology Data Exchange (ETDEWEB)
Fraga, Eduardo; Mizher, Ana Julia [Instituto de Fisica, Universidade Federal do Rio de Janeiro, CP 68528, Rio de Janeiro, 21945-970 RJ (Brazil); Chernodub, Maxim [Laboratoire de Mathematiques et Physique Theorique - LMPT, CNRS UMR 6083 Tours, Federation Denis Poisson, Faculte des Sciences et Techniques, Universite Francois Rabelais, Parc de Grandmont, 37200 Tours (France)
2010-07-01
The structure of the phase diagram for strong interactions becomes richer in the presence of a magnetic background, which enters as a new control parameter for the thermodynamics, and can exhibit new phases and interesting features. Motivated by the relevance of this physical setting for current and future high-energy heavy ion collision experiments and for the cosmological QCD transitions, we use the linear sigma model coupled to quarks and to Polyakov loops as an effective theory to investigate how the chiral and the deconfining transitions are affected, and present a general picture for the temperature-magnetic field phase diagram. We compute and discuss each contribution to the effective potential for the approximate order parameters, and uncover new phenomena such as the para-magnetically-induced breaking of Z(3). (authors)
The phase diagram of twisted mass lattice QCD
Sharpe, S R; Sharpe, Stephen R.; Wu, Jackson M. S.
2004-01-01
We use the effective chiral Lagrangian to analyze the phase diagram of two-flavor twisted mass lattice QCD as a function of the normal and twisted masses, generalizing previous work for the untwisted theory. We first determine the chiral Lagrangian including discretization effects up to next-to-leading order (NLO) in a combined expansion in which m_\\pi^2/(4\\pi f_\\pi)^2 ~ a \\Lambda (a being the lattice spacing, and \\Lambda = \\Lambda_{QCD}). We then focus on the region where m_\\pi^2/(4\\pi f_\\pi)^2 ~ (a \\Lambda)^2, in which case competition between leading and NLO terms can lead to phase transitions. As for untwisted Wilson fermions, we find two possible phase diagrams, depending on the sign of a coefficient in the chiral Lagrangian. For one sign, there is an Aoki phase for pure Wilson fermions, with flavor and parity broken, but this is washed out into a crossover if the twisted mass is non-vanishing. For the other sign, there is a first order transition for pure Wilson fermions, and we find that this transitio...
Constraints for the QCD phase diagram from imaginary chemical potential
Philipsen, Owe
2010-01-01
We present unambiguous evidence from lattice simulations of N_f=3 QCD 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 quark regime. Together with similar results in the literature for N_f=2 this implies the existence of a chiral and of a deconfinement tricritical line at those values of imaginary chemical potentials. These tricritical lines represent the boundaries of the analytically continued chiral and deconfinement critical surfaces, respectively, which delimit the parameter space with first order phase transitions. It is demonstrated that the shape of the deconfinement critical surface is dictated by tricritical scaling and implies the weakening of the deconfinement transition with real chemical potential. A qualitatively similar effect holds for the chiral critical surface.
Cumulants and Correlation Functions vs the QCD phase diagram
Bzdak, Adam; Strodthoff, Nils
2016-01-01
In this note we discuss the relation of particle number cumulants and correlation functions related to them. It is argued that measuring couplings of the genuine correlation functions could provide cleaner information on possible non-trivial dynamics in heavy-ion collisions. We extract integrated multi-particle correlation functions from the presently available experimental data on proton cumulants. We find that the STAR data contain significant four-particle correlations, at least at the lower energies, with indication of changing dynamics in central collisions. We also find that these correlations are rather long-ranged in rapidity. Finally based on the signs of genuine correlation functions we provide exclusion plots for the QCD phase diagram.
The QCD phase diagram from Schwinger-Dyson Equations
Gutierrez, Enif; Ayala, Alejandro; Bashir, Adnan; Raya, Alfredo
2013-01-01
We study the phase diagram of quantum chromodynamics (QCD). For this purpose we employ the Schwinger-Dyson equations (SDEs) technique and construct a truncation of the infinite tower of equations by demanding a matching with the lattice results for the quark-anti-quark condensate at finite temperature (T), for zero quark chemical potential (mu), that is, the region where lattice calculations are expected to provide reliable results. We compute the evolution of the phase diagram away from T=0 for increasing values of the chemical potential by following the evolution of the heat capacity as a function of T and mu. The behavior of this thermodynamic variable clearly demonstrates the existence of a cross-over for mu less than a critical value. However, the heat capacity develops a singularity near mu approx 0.22 GeV marking the onslaught of a first order phase transition characterized by the existence of a critical point. The critical line continues until mu approx 0.53 GeV where Tc=0 and thus chiral symmetry is ...
The baryonic phase in holographic descriptions of the QCD phase diagram
Evans, N.; Kim, K.-Y.; Magou, M.; Seo, Y.; Sin, S.J.
2012-01-01
We study holographic models of the QCD temperature-chemical potential phase diagram based on the D3/D7 system with chiral symmetry breaking. The baryonic phase may be included through linked D5-D7 systems. In a previous analysis of a model with a running gauge coupling a baryonic phase was shown to
Towards the heavy dense QCD phase diagram using Complex Langevin simulations
Aarts, Gert; Jäger, Benjamin; Seiler, Erhard; Sexty, Dénes; Stamatescu, Ion-Olimpiu
2015-01-01
Monte Carlo methods cannot probe far into the QCD phase diagram with a real chemical potential, due to the famous sign problem. Complex Langevin simulations, using adaptive step-size scaling and gauge cooling, are suited for sampling path integrals with complex weights. We report here on tests of the deconfinement transition in pure Yang-Mills SU(3) simulations and present an update on the QCD phase diagram in the limit of heavy and dense quarks.
Influence of finite volume and magnetic field effects on the QCD phase diagram
Magdy, Niseem; Lacey, Roy A
2015-01-01
The Polyakov linear sigma model (PLSM) is used to investigate the respective influence of a finite volume and a magnetic field on the quark-hadron phase boundary in the plane of baryon chemical potential ($\\mu_{B}$) vs. temperature ($T$) of the QCD phase diagram. The calculated results indicate sizable shifts of the quark-hadron phase boundary to lower values of $(\\mu_{B}~\\text{and}~T)$ for increasing magnetic field strength, and an opposite shift to higher values of $(\\mu_{B}~\\text{and}~T)$ for decreasing system volume. Such shifts could have important implications for extraction of the thermodynamic properties of the QCD phase diagram from heavy ion data.
On Locating the Critical End Point in QCD Phase Diagram
Srivastava, P K; Singh, C P
2011-01-01
We use the available two different self-consistent formulations of quasiparticle models and extend their applications for the description of quark gluon plasma (QGP) at non-vanishing baryon chemical potentials. The thermodynamical quantities calculated from these models are compared with the values obtained from lattice simulations and a good agreement between theoretical calculations and lattice QCD data suggests that the values of the parameters used in the paper are consistent. A new equation of state (EOS) for a gas of extended baryons and pointlike mesons is presented here which incorporates the repulsive hard-core interactions arising due to geometrical size of baryons. A first order deconfining phase transition is constructed using Gibb's equilibrium criteria between the hadron gas EOS and quasiparticle model EOS for the weakly interacting quark matter. This leads to an interesting finding that the phase transition line ends at a critical end point beyond which a crossover region exists in the phase di...
Complex Langevin in Lattice QCD: dynamic stabilisation and the phase diagram
Aarts, Gert; Jäger, Benjamin; Sexty, Dénes
2016-01-01
Complex Langevin simulations provide an alternative to sample path integrals with complex weights and therefore are suited to determine the phase diagram of QCD from first principles. We use our proposed method of Dynamic Stabilisation (DS) to ensure improved convergence to the right limit and present new systematic tests of this technique. We also show results on QCD in the limit of heavy quarks and an analysis of DS compared to known results from reweighting.
Phase diagram of QCD in a magnetic field: A review
Andersen, Jens O; Tranberg, Anders
2014-01-01
We review in detail recent advances in our understanding of the phase structure and the phase transitions of hadronic matter in strong magnetic fields $B$ and zero quark chemical potentials $\\mu_f$. Many aspects of QCD are described using low-energy effective theories and models such as the MIT bag model, the hadron resonance gas model, chiral perturbation theory, the Nambu-Jona-Lasinio (NJL) model, the quark-meson (QM) model and Polyakov-loop extended versions of the NJL and QM models. We critically examine their properties and applications. This includes mean-field calculations as well as approaches beyond the mean-field approximation such as the functional renormalization group (FRG). Renormalization issues are discussed and the influence of the vacuum fluctuations on the chiral phase transition is pointed out. Magnetic catalysis at $T=0$ is covered as well. We discuss recent lattice results for the thermodynamics of nonabelian gauge theories with emphasis on $SU(2)_c$ and $SU(3)_c$. In particular, we focu...
On the critical end point of the QCD and the NJL model phase diagrams
Ruggieri, Marco
2009-01-01
In this talk I compare the knowledge on the critical end point of the QCD phase diagram grasped from lattice calculations, with that obtained from Nambu--Jona-Lasinio (NJL) model computations. The original publication is available at http://www.sif.it/SIF/en/portal/journals
Influence of finite volume and magnetic field effects on the QCD phase diagram
Magdy, Niseem; Csanád, M.; Lacey, Roy A.
2017-02-01
The 2 + 1 SU(3) Polyakov linear sigma model is used to investigate the respective influence of a finite volume and a magnetic field on the quark-hadron phase boundary in the plane of baryon chemical potential ({μ }B) versus temperature (T) of the quantum chromodynamics (QCD) phase diagram. The calculated results indicate sizable shifts of the quark-hadron phase boundary to lower values of ({μ }B {and} T) for increasing magnetic field strength, and an opposite shift to higher values of ({μ }B {and} T) for decreasing system volume. Such shifts could have important implications for the extraction of the thermodynamic properties of the QCD phase diagram from heavy ion data.
Results on the heavy-dense QCD phase diagram using complex Langevin
Aarts, Gert; Jäger, Benjamin; Sexty, Dénes
2016-01-01
Complex Langevin simulations have been able to successfully reproduce results from Monte Carlo methods in the region where the sign problem is mild and make predictions when it is exponentially hard. We present here our study of the QCD phase diagram and the boundary between the confined and deconfined phases in the limit of heavy and dense quarks (HDQCD) for 3 different lattice volumes. We also briefly discuss instabilities encountered in our simulations.
Extended soft-wall model for the QCD phase diagram
Zöllner, Rico; Kampfer, Burkhard
2016-01-01
The soft-wall model, emerging as bottom-up holographic scenario anchored in the AdS/CFT correspondence, displays the disappearance of normalisable modes referring to vector mesons at a temperature $T_{\\dis}$ depending on the chemical potential $\\mu$, $T_{\\dis}(\\mu)$. We explore options for making $T_{\\dis}(\\mu)$ consistent with the freeze-out curve $T_{\\rm f.o.}(\\mu)$ from relativistic heavy-ion collisions and the cross-over curve $T_{\\rm c}(\\mu)$ from QCD at small values of $\\mu$.
Relativistic nucleus-nucleus collisions and the QCD phase diagram
Stock, Reinhard
2005-01-01
A steep maximum occurs in the Wroblewski ratio between strange and non-strange quarks created in central nucleus-nucleus collisions, of about A=200, at the lower SPS energy square root s approximately= 7 GeV. By analyzing hadronic multiplicities within the grand canonical statistical hadronization model this maximum is shown to occur at a baryochemical potential of about 450 MeV. In comparison, recent QCD lattice calculations at finite baryochemical potential suggest a steep maximum of the light quark susceptibility, to occur at similar mu /sub B/, indicative of "critical fluctuation" expected to occur at or near the QCD critical endpoint. This endpoint had not been firmly pinned down but should occur in the 300 MeV < mu /sub B//sup c/ < 700 MeV interval. It is argued that central collisions within the low SPS energy range should exhibit a turning point between compression /heating, and expansion/cooling at energy density, temperature and mu /sub B/ close to the suspected critical point. Whereas from to...
Perturbative aspects of the phase diagram of QCD with heavy quarks
Serreau, Julien; Reinosa, Urko
2017-03-01
We report on recent progress in the description of the phase diagram of QCD with heavy quarks at nonzero temperature and chemical potential in the context of a modified perturbative approach. The latter is based on a simple massive extension of the QCD Lagrangian in the Landau-DeWitt gauge, the background field generalization of the Landau gauge. Here, the background field plays the role of an order parameter for the center symmetry, relevant for confinement-deconfinement transition. One-loop results in this approach give a fairly accurate description of the phase diagram both at real and imaginary chemical potential. We comment on issues related to the sign problem in continuum approaches. Based on works in collaboration with Matthieu Tissier and Nicolás Wschebor.
Hadron yields, the chemical freeze-out and the QCD phase diagram
Andronic, A; Redlich, K; Stachel, J
2016-01-01
We present the status of the chemical freeze-out, determined from fits of hadron yields with the statistical hadronization (thermal) model, with focus on the data at the LHC. A description of the yields of hadrons containing light quarks as well as the application of the model for the production of the J/$\\psi$ meson is presented. The implications for the QCD phase diagram are discussed.
QCD phase diagram at small densities from simulations with imaginary mu
de Forcrand, P.; Forcrand, Ph. de
2003-01-01
We review our results for the QCD phase diagram at baryonic chemical potential mu_B \\leq pi T. Our simulations are performed with an imaginary chemical potential mu_I for which the fermion determinant is positive. For 2 flavors of staggered quarks, we map out the phase diagram and identify the pseudo-critical temperature T_c(mu_I). For mu_I/T \\leq pi/3, this is an analytic function, whose Taylor expansion is found to converge rapidly, with truncation errors far smaller than statistical ones. The truncated series may then be continued to real mu, yielding the corresponding phase diagram for mu_B \\lsim 500 MeV. This approach provides control over systematics and avoids reweighting. We outline our strategy to find the (2+1)-flavor critical point.
Auxiliary field Monte-Carlo study of the QCD phase diagram at strong coupling
Ohnishi, Akira; Nakano, Takashi Z
2012-01-01
We investigate the QCD phase diagram in the strong coupling limit by using a newly developed auxiliary field Monte-Carlo (AFMC) method. Starting from an effective action in the leading order of the 1/g^2 and 1/d expansion with one species of unrooted staggered fermion, we solve the many-body problem exactly by introducing the auxiliary fields and integrating out the temporal links and quark fields. We have a sign problem in AFMC, which is different from the original one in finite density lattice QCD. For low momentum auxiliary field modes, a complex phase cancellation mechanism exists, and the sign problem is not serious on a small lattice. Compared with the mean field results, the transition temperature is found to be reduced by around 10 % and the hadron phase is found to be extended in the larger chemical potential direction by around 20 %, as observed in the monomer-dimer-polymer (MDP) simulations.
Fan, Wenkai; Zong, Hong-Shi
2016-01-01
Under the chemical equilibrium and electric charge neutrality conditions, we evaluate the $2$nd to $4$th order baryon, charge and strangeness susceptibilities near a chiral critical point using the Nambu--Jona--Lasinio model. Because of the considerati on of electron chemical potential, up and down quarks are no longer degenerate, but have a chemical potential difference. This isospin chemical potential does not bring new qualitative features in the QCD phase diagram. Furthermore, baryon number susce ptibilities are found to be of the greatest magnitude, offering the strongest signal. Whereas the strangeness susceptibilities have the smallest divergence dominating area, owing to the large strange quark mass.
Critical endpoint in the QCD phase diagram for extremely strong background magnetic fields
Endrodi, 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 endpoint in the QCD phase diagram. ...
Polyakov loop effects on the phase diagram in strong-coupling lattice QCD
Miura, Kohtaroh; Nakano, Takashi Z; Ohnishi, Akira
2016-01-01
We investigate the Polyakov loop effects on the QCD phase diagram by using the strong-coupling (1/g^2) expansion of the lattice QCD (SC-LQCD) with one species of unrooted staggered quark, including O}(1/g^4) effects. We take account of the effects of Polyakov loop fluctuations in Weiss mean-field approximation (MFA), and compare the results with those in the Haar-measure MFA (no fluctuation from the mean-field). The Polyakov loops strongly suppress the chiral transition temperature in the second-order/crossover region at small chemical potential, while they give a minor modification of the first-order phase boundary at larger chemical potential. The Polyakov loops also account for a drastic increase of the interaction measure near the chiral phase transition. The chiral and Polyakov loop susceptibilities have their peaks close to each other in the second-order/crossover region. In particular in Weiss MFA, there is no indication of the separated deconfinement transition boundary from the chiral phase boundary ...
Continuum study on QCD phase diagram through an OPE-modified gluon propagator
Shi, Chao; Xu, Shu-Sheng; Liu, Xiao-Jun; Zong, Hong-Shi
2016-01-01
Within the Dyson-Schwinger equations (DSEs) framework, a gluon propagator model incorporating quark's feedback through operator product expansion (OPE) is introduced to investigate the QCD phase diagram in the temperature--chemical-potential ($T-\\mu$) plane. Partial restoration of chiral symmetry at zero temperature and finite temperature are both studied, suggesting a first order phase transition point on the $\\mu$ axis and a critical end point at $(T_E,\\mu_E)/T_c = (0.85,1.11)$, where $T_c$ is the pseudo-critical temperature. In addition, we find the pseudo-critical line can be well parameterized with the curvature parameter $\\kappa$ and a consistent decrease in $\\kappa$ with more of gluon propagator distributed to quark's feedback.
QCD in magnetic fields: from Hofstadter's butterfly to the phase diagram
Endrodi, G
2014-01-01
I revisit the problem of a charged particle on a two-dimensional lattice immersed in a constant (electro)magnetic field, and discuss the energy spectrum - Hofstadter's butterfly - from a new, quantum field theoretical perspective. In particular, I point out that there is an intricate interplay between a) the structure of the butterfly at low magnetic flux, b) the absence of asymptotic freedom in QED and c) the enhancement of the quark condensate by a magnetic field at zero temperature. I proceed to discuss the response of the QCD condensate to the magnetic field at nonzero temperatures in four space-time dimensions, present the resulting phase diagram and compare it to low-energy model predictions.
Probing the QCD phase diagram with dileptons - a study using coarse-grained transport dynamics
Endres, Stephan; Bleicher, Marcus
2016-01-01
Dilepton production in heavy-ion collisions at various energies is studied using coarse-grained transport simulations. Microscopic output from the Ultra-relativistic Quantum Molecular Dynamics (UrQMD) model is hereby put on a grid of space-time cells which allows to extract the local temperature and chemical potential in each cell via an equation of state. The dilepton emission is then calculated applying in-medium spectral functions from hadronic many-body theory and partonic production rates based on lattice calculations. The comparison of the resulting spectra with experimental data shows that the dilepton excess beyond the decay contributions from a hadronic cocktail reflects the trajectory of the fireball in the $T-\\mu_{\\mathrm{B}}$ plane of the QCD phase diagram.
Phase diagram of dense two-color QCD within lattice simulations
Braguta, V. V.; Ilgenfritz, E.-M.; Kotov, A. Yu.; Molochkov, A. V.; Nikolaev, A. A.
2017-03-01
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.
Study of the phase diagram of dense two-color QCD within lattice simulation
Braguta, V V; Kotov, A Yu; Molochkov, A V; Nikolaev, A A
2016-01-01
In this paper we carry out a low-temperature scan of the phase diagram of dense two-color QCD with $N_f=2$ 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 $\\mu = m_{\\pi}/2$ 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 t...
Exploring phase diagram of $N_f=3$ QCD at $\\mu=0$ with HISQ fermions
Ding, H -T; Hegde, P; Karsch, F; Mukherjee, S; Petreczky, P
2011-01-01
We studied the QCD phase transition as a function of quark mass in the $N_f=3$ QCD at vanishing baryon density. Lattice simulations have been performed using Highly Improved Staggered Quarks on $N_{\\tau}=6$ lattices with quark masses that correspond to pion masses in the region $80 \\lesssim m_{\\pi} \\lesssim 230 $MeV. We found no evidence of the first order phase transition in the current pion mass window. The pion mass at the critical point where the first order phase transition starts is estimated to be $m^c_{\\pi}\\lesssim 45$ MeV.
Kawamoto, N; Ohnishi, A; Ohnuma, T
2005-01-01
We study the phase diagram of quark matter at finite temperature (T) and finite chemical potential (mu) in the strong coupling limit of lattice QCD for color SU(3). We derive an analytical expression of the effective free energy as a function of T and mu, including baryon effects. The finite temperature effects are evaluated by integrating over the temporal link variable exactly in the Polyakov gauge with anti-periodic boundary condition for fermions. The obtained phase diagram shows the first order phase transition at low temperatures and the second order phase transition at high temperatures separated by the tri-critical point in the chiral limit. Baryon has effects to reduce the effective free energy and to extend the hadron phase to a larger mu direction at low temperatures.
Universal Off-Equilibrium Scaling of Critical Cumulants in the QCD Phase Diagram
Mukherjee, Swagato; Venugopalan, Raju; Yin, Yi
2016-11-01
Exploiting the universality between the QCD critical point and the three-dimensional Ising model, closed form expressions derived for nonequilibrium critical cumulants on the crossover side of the critical point reveal that they can differ in both magnitude and sign from equilibrium expectations. We demonstrate here that key elements of the Kibble-Zurek framework of nonequilibrium phase transitions can be employed to describe the dynamics of these critical cumulants. Our results suggest that observables sensitive to critical dynamics in heavy-ion collisions should be expressible as universal scaling functions, thereby providing powerful model-independent guidance in searches for the QCD critical point.
Ferreira, Márcio; Providência, Constança
2015-01-01
The effect of an external magnetic field in QCD phase diagram, namely, in the the location of the critical end point (CEP) is investigated. Using the 2+1 flavor Nambu--Jona-Lasinio model with Polyakov loop, it is shown that when an external magnetic field is applied its effect on the CEP depends on the strength of the coupling. If the coupling depends on the magnetic field, allowing for inverse magnetic catalysis, the CEP moves to lower chemical potentials eventually disappearing, and the chiral restoration phase transition is always of first order.
The QCD Phase Diagram, Equation of State, and Heavy Ion Collisions
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...
Alvarez-Castillo, D E
2016-01-01
In this work we study the case of deconfinement in compact star interiors in the presence of a strong first order phase transition associated to a critical end point in the QCD phase diagram. Neutron stars fulfilling these conditions show a third branch in the mass-radius diagram with the first and second branches being the white dwarfs and neutron stars configurations. The transition to the third branch can be reached by a pure hadronic neutron star through an induced collapse releasing energy that corresponds to a mass-energy difference between the second and third branch configurations. Physical outcomes of this phenomenon that can potentially explain the already detected astrophysical signals are discussed. In particular we present energy estimations for the case of a fast radio burst, seen as a double-peak structure in the object's light curve.
Mizher, A J; Fraga, E S
2010-01-01
The structure of the phase diagram for strong interactions becomes richer in the presence of a magnetic background, which enters as a new control parameter for the thermodynamics. Motivated by the relevance of this physical setting for current and future high-energy heavy ion collision experiments and for the cosmological QCD transitions, we use the linear sigma model coupled to quarks and to Polyakov loops as an effective theory to investigate how the chiral and the deconfining transitions are affected, and present a general picture for the temperature--magnetic field phase diagram. We compute and discuss each contribution to the effective potential for the approximate order parameters, and uncover new phenomena such as the paramagnetically-induced breaking of global $\\mathbb{Z}_3$ symmetry, and possible splitting of deconfinement and chiral transitions in a strong magnetic field.
Universal off-equilibrium scaling of critical cumulants in the QCD phase diagram
Mukherjee, Swagato; Yin, Yi
2016-01-01
Exploiting the universality between the QCD critical point and the three dimensional Ising model, closed form expressions derived (arXiv:1506.00645 ) for non-equilibrium critical cumulants on the crossover side of the critical point reveal that they can differ both in magnitude and sign from equilibrium expectations. We demonstrate here that key elements of the Kibble-Zurek framework of non-equilibrium phase transitions can be employed to describe the dynamics of these critical cumulants. Our results suggest that observables sensitive to critical dynamics in heavy-ion collisions should be expressible as universal scaling functions, thereby providing powerful model independent guidance in searches for the QCD critical point.
The Phase Diagram of High Temperature QCD with Three Flavors of Improved Staggered Quarks
Bernard, C; De Tar, C E; Steven Gottlieb; Gregory, E B; Heller, U M; Hetrick, J E; Sugar, R L; Toussaint, D; Louis, St; Gottlieb, Steven
2003-01-01
We report on progress in our study of high temperature QCD with three flavors of improved staggered quarks. Simulations are being carried out with three degenerate quarks with masses less than or equal to the strange quark mass, $m_s$, and with degenerate up and down quarks with masses in the range $0.1 m_s \\leq m_{u,d}\\leq 0.6 m_s$, and the strange quark mass fixed near its physical value. For the quark masses studied to date we find rapid crossovers, which sharpen as the quark mass is reduced, rather than bona fide phase transitions.
Numerical study of QCD phase diagram at high temperature and density by a histogram method
Ejiri, Shinji; Hatsuda, Tetsuo; Kanaya, Kazuyuki; Nakagawa, Yoshiyuki; Ohno, Hiroshi; Saito, Hana; Umeda, Takashi
2012-01-01
We study the QCD phase structure at high temperature and density adopting a histogram method. Because the quark determinant is complex at finite density, the Monte-Carlo method cannot be applied directly. We use a reweighting method and try to solve the problems which arise in the reweighting method, i.e. the sign problem and the overlap problem. We discuss the chemical potential dependence of the probability distribution function in the heavy quark mass region and examine the applicability of the approach in the light quark region.
Andronic, A; Braun-Munzinger, P; Cleymans, J; Fukushima, K; McLerran, L D; Oeschler, H; Pisarski, R D; Redlich, K; Sasaki, C; Satz, H; Stachel, J
2009-01-01
We argue that features of hadron production in relativistic nuclear collisions, mainly at CERN-SPS energies, may be explained by the existence of three forms of matter: Hadronic Matter, Quarkyonic Matter, and a Quark-Gluon Plasma. We suggest that these meet at a triple point in the QCD phase diagram. Some of the features explained, both qualitatively and semi-quantitatively, include the curve for the decoupling of chemical equilibrium, along with the non-monotonic behavior of strange particle multiplicity ratios at center of mass energies near 10 GeV. If the transition(s) between the three phases are merely crossover(s), the triple point is only approximate.
Lattice QCD at non-vanishing density phase diagram, equation of state
Csikor, Ferenc; Fodor, Z; Katz, S D; Szabó, K K; Tóth, A I
2003-01-01
We propose a method to study lattice QCD at non-vanishing temperature (T) and chemical potential (\\mu). We use n_f=2+1 dynamical staggered quarks with semi-realistic masses on L_t=4 lattices. The critical endpoint (E) of QCD on the Re(\\mu)-T plane is located. We calculate the pressure (p), the energy density (\\epsilon) and the baryon density (n_B) of QCD at non-vanishing T and \\mu.
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.
Simultaneous chiral symmetry restoration and deconfinement - Consequences for the QCD phase diagram
Klahn, Thomas; Hempel, Matthias
2016-01-01
For studies of quark matter in astrophysical scenarios the thermodynamic bag model (tdBag) is commonly employed. Although successful, it does not account for dynamical chiral symmetry breaking (D$\\chi$SB) and repulsions due to the vector interaction which is crucial to explain recent observations of massive, two solar mass neutron stars. In Kl\\"ahn & Fischer (2015) we developed the novel vBag quark matter model which takes these effects into account. This article extends vBag to finite temperatures and isospin asymmetry. Another particular feature of vBag is the determination of the deconfinement bag constant $B_{\\rm dc}$ from a given hadronic equation of state (EoS) in order to ensure that chiral and deconfinement transitions coincide. We discuss consequences of this novel approach for the phase transition construction and the phase diagram.
Simultaneous Chiral Symmetry Restoration and Deconfinement Consequences for the QCD Phase Diagram
Klähn, Thomas; Fischer, Tobias; Hempel, Matthias
2017-02-01
For studies of quark matter in astrophysical scenarios, the thermodynamic bag model is commonly employed. Although successful, it does not account for dynamical chiral symmetry breaking and repulsions due to the vector interaction which is crucial to explain recent observations of massive, two solar mass neutron stars. In Klähn & Fischer we developed the novel vBag quark matter model which takes these effects into account. This article extends vBag to finite temperatures and isospin asymmetry. Another particular feature of vBag is the determination of the deconfinement bag constant {B}{dc} from a given hadronic equation of state in order to ensure that chiral and deconfinement transitions coincide. We discuss consequences of this novel approach for the phase transition construction, the phase diagram, and implications for protoneutron stars.
The QCD Phase Diagram, Equation of State, and Heavy Ion Collisions
Shuryak, E V
2002-01-01
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 and elliptic flow in unexpected details,for different particles, collision energies, and impact parameters. Apart of Equation of State (EoS), it has basically no free parameters. The EoS which describe these data best agrees quite well with the lattice predictions, with the QGP latent heat $\\Delta\\epsilon\\approx 800 Mev/fm^3$. Other phenomena at RHIC, such as ``jet quenching'' and huge ellipticity at large $p_t$, also point toward very rapid entropy production. Its mechanism remains an outstanding open problem: at the end w...
Resummation of Cactus Diagrams in Lattice QCD
Panagopoulos, H
1998-01-01
We show how to perform a resummation, to all orders in perturbation theory, of a certain class of gauge invariant diagrams in Lattice QCD. These diagrams are often largely responsible for lattice artifacts. Our resummation leads to an improved perturbative expansion. Applied to a number of cases of interest, this expansion yields results remarkably close to corresponding nonperturbative estimates.
Ayala, Alejandro
2016-01-01
In the past few years a wealth of high quality data has made possible to test current theoretical ideas about the properties of hadrons subject to extreme conditions of density and temperature. The relativistic heavy-ion program carried out at the CERN-SPS and under development at the BNL-RHIC and CERN-LHC has provided results that probe the evolution of collisions of hadronic matter at high energies from the initially large density to the late dilute stages. In addition, QCD on the lattice has produced results complementing these findings with first principles calculations for observables in a regime where perturbative techniques cannot describe the nature of strongly coupled systems. This work aims to review some recent developments that make use of field theoretical methods to describe the physics of hadrons at finite temperature and density. I concentrate on two of the main topics that have been explored in the last few years: (1) The search for the structure of the phase diagram and (2) analytical signal...
Ayala, Alejandro
2016-10-01
In the past few years a wealth of high quality data has made possible to test current theoretical ideas about the properties of hadrons subject to extreme conditions of density and temperature. The relativistic heavy-ion program carried out at the CERN-SPS and under development at the BNL-RHIC and CERN-LHC has provided results that probe the evolution of collisions of hadronic matter at high energies from the initially large density to the late dilute stages. In addition, QCD on the lattice has produced results complementing these findings with first principles calculations for observables in a regime where perturbative techniques cannot describe the nature of strongly coupled systems. This work aims to review some recent developments that make use of field theoretical methods to describe the physics of hadrons at finite temperature and density. I concentrate on two of the main topics that have been explored in the last few years: (1) The search for the structure of the phase diagram and (2) analytical signals linked to the chiral symmetry restoration/deconfinement.
Energy Technology Data Exchange (ETDEWEB)
Zeeb, G.
2006-07-01
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 {sigma}-{omega} 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
Algorithms for Disconnected Diagrams in Lattice QCD
Energy Technology Data Exchange (ETDEWEB)
Gambhir, Arjun Singh [College of William and Mary, Williamsburg, VA (United States); Thomas Jefferson National Accelerator Facility (TJNAF), Newport News, VA (United States); Stathopoulos, Andreas [College of William and Mary, Williamsburg, VA (United States); Orginos, Konstantinos [College of William and Mary, Williamsburg, VA (United States); Thomas Jefferson National Accelerator Facility (TJNAF), Newport News, VA (United States); Yoon, Boram [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Gupta, Rajan [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Syritsyn, Sergey [Stony Brook Univ., NY (United States)
2016-11-01
Computing disconnected diagrams in Lattice QCD (operator insertion in a quark loop) entails the computationally demanding problem of taking the trace of the all to all quark propagator. We first outline the basic algorithm used to compute a quark loop as well as improvements to this method. Then, we motivate and introduce an algorithm based on the synergy between hierarchical probing and singular value deflation. We present results for the chiral condensate using a 2+1-flavor clover ensemble and compare estimates of the nucleon charges with the basic algorithm.
Algorithms for Disconnected Diagrams in Lattice QCD
Gambhir, Arjun Singh; Orginos, Kostas; Yoon, Boram; Gupta, Rajan; Syritsyn, Sergey
2016-01-01
Computing disconnected diagrams in Lattice QCD (operator insertion in a quark loop) entails the computationally demanding problem of taking the trace of the all to all quark propagator. We first outline the basic algorithm used to compute a quark loop as well as improvements to this method. Then, we motivate and introduce an algorithm based on the synergy between hierarchical probing and singular value deflation. We present results for the chiral condensate using a 2+1-flavor clover ensemble and compare estimates of the nucleon charges with the basic algorithm.
Phase Equilibria Diagrams Database
SRD 31 NIST/ACerS Phase Equilibria Diagrams Database (PC database for purchase) The Phase Equilibria Diagrams Database contains commentaries and more than 21,000 diagrams for non-organic systems, including those published in all 21 hard-copy volumes produced as part of the ACerS-NIST Phase Equilibria Diagrams Program (formerly titled Phase Diagrams for Ceramists): Volumes I through XIV (blue books); Annuals 91, 92, 93; High Tc Superconductors I & II; Zirconium & Zirconia Systems; and Electronic Ceramics I. Materials covered include oxides as well as non-oxide systems such as chalcogenides and pnictides, phosphates, salt systems, and mixed systems of these classes.
Energy Technology Data Exchange (ETDEWEB)
Roessner, Simon
2009-04-09
Quantum Chromodynamics (QCD) is the theory of the strong interaction within the Standard Model of elementary particles. Today's research in this area dedicates substantial resources to numeric solutions of the QCD field equations and experimental programs exploring the phases of QCD. This thesis proceeds along a complementary line - that of modelling QCD, with the aim of identifying its dominant degrees of freedom. This is possible by minimally coupling effective potentials for the Polyakov loop to Nambu-Jona-Lasinio models using temporal background fields to model chiral symmetry breaking respecting colour confinement. The fermion sign problem resulting from the minimal coupling is addressed in this work establishing a novel, systematically ordered approach. The modifications to the approximative order parameter of colour confinement, the Polyakov loop, are in direct connection with the fermion sign problem. Furthermore an effective coupling of quark densities of different flavours is induced. This mechanism, most likely also present in QCD, produces finite contributions to flavour off diagonal susceptibilities. Susceptibilities are amongst the most promising physical quantities for the experimental exploration of the phase transition at high temperatures and densities. (orig.)
Shuryak, E V
1996-01-01
In the recent years we have learned that light quarks play a crucial role in QCD-like theories, transforming it to many different phases. We review what is known about them, both from lattice and non-lattice approaches. A particularly simple mechanism of the QCD chiral restoration phase transition is discussed first: it suggests that it is a transition from randomly placed tunneling events (instantons) at low T to strongly localized tunneling-anti-tunneling pairs at high T. Many features of the transition found on the lattice can be explained in this simple picture. Very relevant for RHIC, this approach predicts a strong non-perturbative interaction between quarks $above$ the phase transition. It also predicts that QGP-like phase sets in at $zero$ temperature, provided few more light quark flavors are added to QCD. Finally, we also discuss possible experimental signatures of the QCD phase transition. One issue is CERN dilepton data, possibly related with ``dropping'' masses of $\\rho, A_1$ mesons. Another is d...
Institute of Scientific and Technical Information of China (English)
LI Shichun
2004-01-01
Based on the Thomas-Fermi-Dirac-Cheng model, atomic phase diagram or electron density versus atomic radius diagram describing the interaction properties of atoms of different kinds in equilibrium state is developed. Atomic phase diagram is established based on the two-atoms model. Besides atomic radius, electron density and continuity condition for electron density on interfaces between atoms, the lever law of atomic phase diagram involving other physical parameters is taken into account, such as the binding energy, for the sake of simplicity.
Engineering holographic phase diagrams
Chen, Jiunn-Wei; Dai, Shou-Huang; Maity, Debaprasad; Zhang, Yun-Long
2016-10-01
By introducing interacting scalar fields, we tried to engineer physically motivated holographic phase diagrams which may be interesting in the context of various known condensed matter systems. We introduce an additional scalar field in the bulk which provides a tunable parameter in the boundary theory. By exploiting the way the tuning parameter changes the effective masses of the bulk interacting scalar fields, desired phase diagrams can be engineered for the boundary order parameters dual to those scalar fields. We give a few examples of generating phase diagrams with phase boundaries which are strikingly similar to the known quantum phases at low temperature such as the superconducting phases. However, the important difference is that all the phases we have discussed are characterized by neutral order parameters. At the end, we discuss if there exists any emerging scaling symmetry associated with a quantum critical point hidden under the dome in this phase diagram.
Aggarwal, M M; Alakhverdyants, A V; Alekseev, I; Anderson, B D; Arkhipkin, D; Averichev, G S; Balewski, J; Barnby, L S; Baumgart, S; Beavis, D R; Bellwied, R; Betancourt, M J; Betts, R R; Bhasin, A; Bhati, A K; Bichsel, H; Bielcik, J; Bielcikova, J; Biritz, B; Bland, L C; Bonner, B E; Bouchet, J; Braidot, E; Brandin, A V; Bridgeman, A; Bruna, E; Bueltmann, S; Bunzarov, I; Burton, T P; Cai, X Z; Caines, H; CalderóndelaBarcaSánchez, M; Catu, O; Cebra, D; Cendejas, R; Cervantes, M C; Chajecki, Z; Chaloupka, P; Chattopadhyay, S; Chen, H F; Chen, J H; Chen, J Y; Cheng, J; Cherney, M; Chikanian, A; Choi, K E; Christie, W; Chung, P; Clarke, R F; Codrington, M J M; Corliss, R; Cramer, J G; Crawford, H J; Das, D; Dash, S; DavilaLeyva, A; DeSilva, L C; Debbe, R R; Dedovich, T G; Derevschikov, A A; DerradideSouza, R; Didenko, L; Djawotho, P; Dogra, S M; Dong, X; Drachenberg, J L; Draper, J E; Dunlop, J C; DuttaMazumdar, M R; Efimov, L G; Elhalhuli, E; Elnimr, M; Engelage, J; Eppley, G; Erazmus, B; Estienne, M; Eun, L; Evdokimov, O; Fachini, P; Fatemi, R; Fedorisin, J; Fersch, R G; Filip, P; Finch, E; Fine, V; Fisyak, Y; Gagliardi, C A; Gangadharan, D R; Ganti, M S; Garcia, E J; Solis,; Geromitsos, A; Geurts, F; Ghazikhanian, V; Ghosh, P; Gorbunov, Y N; Gordon, A; Grebenyuk, O; Grosnick, D; Guertin, S M; Gupta, A; Gupta, N; Guryn, W; Haag, B; Hamed, A; Han, LX; Harris, J W; HaysWehle, J P; Heinz, M; Heppelmann, S; Hirsch, A; Hjort, E; Hoffman, A M; Hoffmann, G W; Hofman, D J; Huang, B; Huang, H Z; Humanic, T J; Huo, L; Igo, G; Jacobs, P; Jacobs, W W; Jena, C; Jin, F; Jones, C L; Jones, P G; Joseph, J; Judd, E G; Kabana, S; Kajimoto, K; Kang, K; Kapitan, J; Kauder, K; Keane, D; Kechechyan, A; Kettler, D; Kikola, D P; Kiryluk, J; Kisiel, A; Klein, S R; Knospe, A G; Kocoloski, A; Koetke, D D; Kollegger, T; Konzer, J; Koralt, I; Koroleva, L; Korsch, W; Kotchenda, L; Kouchpil, V; Kravtsov, P; Krueger, K; Krus, M; Kumar, L; Kurnadi, P; Lamont, M A C; Landgraf, J M; LaPointe, S; Lauret, J; Lebedev, A; Lednicky, R; C,; Lee, H; Lee, J H; Leight, W; LeVine, M J; Li, C; Li, L; Li, N; Li, W; Li, X; Li, X; Li, Y; Li, Z M; Lin, G; Lindenbaum, S J; Lisa, M A; Liu, F; Liu, H; Liu, J; Ljubicic, T; Llope, W J; Longacre, R S; Love, W A; Lu, Y; Luo, X; Ma, G L; Ma, Y G; Mahapatra, D P; Majka, R; Mall, O I; Mangotra, L K; Manweiler, R; Margetis, S; Markert, C; Masui, H; Matis, H S; Matulenko, Yu A; McDonald, D; McShane, T S; Meschanin, A; Milner, R; Minaev, N G; Mioduszewski, S; Mischke, A; Mitrovski, M K; Mohanty, B; Mondal, M M; Morozov, B; Morozov, D A; Munhoz, M G; Nandi, B K; Nattrass, C; Nayak, T K; Nelson, J M; Netrakanti, P K; Ng, M J; Nogach, L V; Nurushev, S B; Odyniec, G; Ogawa, A; Okorokov, V; Oldag, E W; Olson, D; Pachr, M; Page, B S; Pal, S K; Pandit, Y; Panebratsev, Y; Pawlak, T; Peitzmann, T; Perevoztchikov, V; Perkins, C; Peryt, W; Phatak, S C; Pile, P; Planinic, M; Ploskon, M A; Pluta, J; Plyku, D; Poljak, N; Poskanzer, A M; Potukuchi, B V K S; Powell, C B; Prindle, D; Pruneau, C; Pruthi, N K; Pujahari, P R; Putschke, J; Raniwala, R; Raniwala, S; Ray, R L; Redwine, R; Reed, R; Ritter, H G; Roberts, J B; Rogachevskiy, O V; Romero, J L; Rose, A; Roy, C; Ruan, L; Sahoo, R; Sakai, S; Sakrejda, I; Sakuma, T; Salur, S; Sandweiss, J; Sangaline, E; Schambach, J; Scharenberg, R P; Schmitz, N; Schuster, T R; Seele, J; Seger, J; Selyuzhenkov, I; Seyboth, P; Shahaliev, E; Shao, M; Sharma, M; Shi, S S; Sichtermann, E P; Simon, F; Singaraju, R N; Skoby, M J; Smirnov, N; Sorensen, P; Sowinski, J; Spinka, H M; Srivastava, B; Stanislaus, T D S; Staszak, D; Stevens, J R; Stock, R; Strikhanov, M; Stringfellow, B; Suaide, A A P; Suarez, M C; Subba, N L; Sumbera, M; Sun, X M; Sun, Y; Sun, Z; Surrow, B; Svirida, D N; Symons, T J M; SzantodeToledo, A; Takahashi, J; Tang, A H; Tang, Z; Tarini, L H; Tarnowsky, T; Thein, D; Thomas, J H; Tian, J; Timmins, A R; Timoshenko, S; Tlusty, D; Tokarev, M; Tram, V N; Trentalange, S; Tribble, R E; Tsai, O D; Ulery, J; Ullrich, T; Underwood, D G; VanBuren, G; vanLeeuwen, M; vanNieuwenhuizen, G; Vanfossen, J A; Jr.,; Varma, R; Vasconcelos, G M S; Vasiliev, A N; Videbaek, F; Viyogi, Y P; Vokal, S; Voloshin, S A; Wada, M; Walker, M; Wang, F; Wang, G; Wang, H; Wang, J S; Wang, Q; Wang, X L; Wang, Y; Webb, G; Webb, J C; Westfall, G D; WhittenJr., C; Wieman, H; Wissink, S W; Witt, R; Wu, Y F; Xie, W; Xu, N; Xu, Q H; Xu, W; Xu, Y; Xu, Z; Xue, L; Yang, Y; Yepes, P; Yip, K; Yoo, IK; Yue, Q; Zawisza, M; Zbroszczyk, H; Zhan, W; Zhang, J B; Zhang, S; Zhang, W M; Zhang, X P; Zhang, Y; Zhang, Z P; Zhao, J; Zhong, C; Zhou, J; Zhou, W; Zhu, X; Zhu, Y H; Zoulkarneev, R; Zoulkarneeva, Y
2010-01-01
The QCD phase diagram lies at the heart of what the RHIC Physics Program is all about. While RHIC has been operating very successfully at or close to its maximum energy for almost a decade, it has become clear that this collider can also be operated at lower energies down to 5 GeV without extensive upgrades. An exploration of the full region of beam energies available at the RHIC facility is imperative. The STAR detector, due to its large uniform acceptance and excellent particle identification capabilities, is uniquely positioned to carry out this program in depth and detail. The first exploratory beam energy scan (BES) run at RHIC took place in 2010 (Run 10), since several STAR upgrades, most importantly a full barrel Time of Flight detector, are now completed which add new capabilities important for the interesting physics at BES energies. In this document we discuss current proposed measurements, with estimations of the accuracy of the measurements given an assumed event count at each beam energy.
Hockney, Roger
1987-01-01
Algorithmic phase diagrams are a neat and compact representation of the results of comparing the execution time of several algorithms for the solution of the same problem. As an example, the recent results are shown of Gannon and Van Rosendale on the solution of multiple tridiagonal systems of equations in the form of such diagrams. The act of preparing these diagrams has revealed an unexpectedly complex relationship between the best algorithm and the number and size of the tridiagonal systems, which was not evident from the algebraic formulae in the original paper. Even so, for a particular computer, one diagram suffices to predict the best algorithm for all problems that are likely to be encountered the prediction being read directly from the diagram without complex calculation.
Hybrid model for QCD deconfining phase boundary
Srivastava, P. K.; Singh, C. P.
2012-06-01
Intensive search for a proper and realistic equations of state (EOS) is still continued for studying the phase diagram existing between quark gluon plasma (QGP) and hadron gas (HG) phases. Lattice calculations provide such EOS for the strongly interacting matter at finite temperature (T) and vanishing baryon chemical potential (μB). These calculations are of limited use at finite μB due to the appearance of notorious sign problem. In the recent past, we had constructed a hybrid model description for the QGP as well as HG phases where we make use of a new excluded-volume model for HG and a thermodynamically-consistent quasiparticle model for the QGP phase and used them further to get QCD phase boundary and a critical point. Since then many lattice calculations have appeared showing various thermal and transport properties of QCD matter at finite T and μB=0. We test our hybrid model by reproducing the entire data for strongly interacting matter and predict our results at finite μB so that they can be tested in future. Finally we demonstrate the utility of the model in fixing the precise location, the order of the phase transition and the nature of CP existing on the QCD phase diagram. We thus emphasize the suitability of the hybrid model as formulated here in providing a realistic EOS for the strongly interacting matter.
Collective neurodynamics: Phase diagram
Ovchinnikov, Igor V.; Li, Wenyuan; Schwartz, Robert N.; Hudson, Andrew E.; Meier, Karlheinz; Wang, Kang L.
2016-01-01
Here, we conceptualize the phase diagram of collective short-term bio-chemo-electric component of neurodynamics (S-ND) on the parameter space of externally, e.g., pharmacologically, controllable single-neuron parameters such as the resting potential and/or firing threshold, repolarization time, etc. This concept may become a useful tool for the systematization of knowledge in anesthesiology and provide a fruitful venue for future studies of the high-level S-ND functionalities such as short-te...
Resummation of Cactus Diagrams in Lattice QCD, to all Orders
Panagopoulos, H
2000-01-01
We show how to perform a resummation, to all orders in perturbation theory, of a certain class of gauge invariant tadpole-like diagrams in Lattice QCD. These diagrams are often largely responsible for lattice artifacts. Our resummation leads to an improved perturbative expansion. Applied to a number of cases of interest, e.g. the lattice renormalization of some two-fermion operators, this expansion yields results remarkably close to corresponding nonperturbative estimates. We consider in our study both the Wilson and the clover action for fermions.
Hempel, Matthias; Yudin, Andrey; Iosilevskiy, Igor; Liebendörfer, Matthias; Thielemann, Friedrich-Karl
2015-01-01
A phase transition (PT) to quark matter can lead to interesting phenomenological consequences in core-collapse supernovae, e.g., triggering an explosion in spherically symmetric models. However, until now this explosion mechanism was only shown to be working for equations of state that are in contradiction with recent pulsar mass measurements. Here we identify that this explosion mechanism is related to the existence of a third family of compact stars that is present only in the hot, early stages of their evolution. Its existence is a result of unusual thermal properties of the two-phase coexistence region of the PT, e.g., characterized by a decrease of temperature with increasing density for isentropes, and which can be related to a negative slope of the PT line in the temperature-pressure phase diagram.
QCD Phase Transitions, Volume 15
Energy Technology Data Exchange (ETDEWEB)
Schaefer, T.; Shuryak, E.
1999-03-20
The title of the workshop, ''The QCD Phase Transitions'', in fact happened to be too narrow for its real contents. It would be more accurate to say that it was devoted to different phases of QCD and QCD-related gauge theories, with strong emphasis on discussion of the underlying non-perturbative mechanisms which manifest themselves as all those phases. Before we go to specifics, let us emphasize one important aspect of the present status of non-perturbative Quantum Field Theory in general. It remains true that its studies do not get attention proportional to the intellectual challenge they deserve, and that the theorists working on it remain very fragmented. The efforts to create Theory of Everything including Quantum Gravity have attracted the lion share of attention and young talent. Nevertheless, in the last few years there was also a tremendous progress and even some shift of attention toward emphasis on the unity of non-perturbative phenomena. For example, we have seen some efforts to connect the lessons from recent progress in Supersymmetric theories with that in QCD, as derived from phenomenology and lattice. Another example is Maldacena conjecture and related development, which connect three things together, string theory, super-gravity and the (N=4) supersymmetric gauge theory. Although the progress mentioned is remarkable by itself, if we would listen to each other more we may have chance to strengthen the field and reach better understanding of the spectacular non-perturbative physics.
Yamamoto, Arata
2016-01-01
We propose the lattice QCD calculation of the Berry phase which is defined by the ground state of a single fermion. We perform the ground-state projection of a single-fermion propagator, construct the Berry link variable on a momentum-space lattice, and calculate the Berry phase. As the first application, the first Chern number of the (2+1)-dimensional Wilson fermion is calculated by the Monte Carlo simulation.
Lau, S. S.; Liu, B. X.; Nicolet, M.-A.
1983-05-01
Interactions induced by ion irradiation are generally considered to be non-equilibrium processes, whereas phase diagrams are determined by phase equilibria. These two entities are seemingly unrelated. However, if one assumes that quasi-equilibrium conditions prevail after the prompt events, subsequent reactions are driven toward equilibrium by thermodynamical forces. Under this assumption, ion-induced reactions are related to equilibrium and therefore to phase diagrams. This relationship can be seen in the similarity that exists in thin films between reactions induced by ion irradiation and reactions induced by thermal annealing. In the latter case, phase diagrams have been used to predict the phase sequence of stable compound formation, notably so in cases of silicide formation. Ion-induced mixing not only can lead to stable compound formation, but also to metastable alloy formation. In some metal-metal systems, terminal solubilities can be greatly extended by ion mixing. In other cases, where the two constituents of the system have different crystal structures, extension of terminal solubility from both sides of the phase diagram eventually becomes structurally incompatible and a glassy (amorphous) mixture can form. The composition range where this bifurcation is likely to occur is in the two-phase regions of the phase diagram. These concepts are potentially useful guides in selecting metal pairs that from metallic glasses by ion mixing. In this report, phenomenological correlation between stable (and metastable) phase formation and phase diagram is discussed in terms of recent experimental data.
Phase diagram and thermal properties of strong-interaction matter
Energy Technology Data Exchange (ETDEWEB)
Gao, Fei; Chen, Jing; Liu, Yu-Xin; Qin, Si-Xue; Roberts, Craig D.; Schmidt, Sebastian M.
2016-05-20
We introduce a novel method for computing the (μ, T)-dependent pressure in continuum QCD, from which we obtain a complex phase diagram and predictions for thermal properties of the dressed-quark component of the system, providing the in-medium behavior of the related trace anomaly, speed of sound, latent heat, and heat capacity.
QCD Phase Transition in a new Hybrid Model Formulation
Srivastava, P K
2013-01-01
Search of a proper and realistic equations of state (EOS) for strongly interacting matter used in the study of QCD phase diagram still appears as a challenging task. Recently, we have constructed a hybrid model description for the quark gluon plasma (QGP) as well as hadron gas (HG) phases where we use a new excluded-volume model for HG and a thermodynamically-consistent quasiparticle model for the QGP phase. We attempt to use them to get a QCD phase boundary and a critical point. We test our hybrid model by reproducing the entire lattice QCD data for strongly interacting matter at zero baryon chemical potential ($\\mu_{B}$)and predict the results at finite $\\mu_{B}$ and $T$.
Phase diagram of Hertzian spheres
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 wea
Phase of the Fermion Determinant for QCD at Finite Chemical Potential
Splittorff, K
2008-01-01
In this lecture we discuss various properties of the phase factor of the fermion determinant for QCD at nonzero chemical potential. Its effect on physical observables is elucidated by comparing the phase diagram of QCD and phase quenched QCD and by illustrating the failure of the Banks-Casher formula with the example of one-dimensional QCD. The average phase factor and the distribution of the phase are calculated to one-loop order in chiral perturbation theory. In quantitative agreement with lattice QCD results, we find that the distribution is Gaussian with a width $\\sim \\mu T \\sqrt V$ (for $m_\\pi \\ll T \\ll \\Lambda_{\\rm QCD}$). Finally, we introduce, so-called teflon plated observables which can be calculated accurately by Monte Carlo even though the sign problem is severe.
Origin and use of crystallization phase diagrams.
Rupp, Bernhard
2015-03-01
Crystallization phase diagrams are frequently used to conceptualize the phase relations and also the processes taking place during the crystallization of macromolecules. While a great deal of freedom is given in crystallization phase diagrams owing to a lack of specific knowledge about the actual phase boundaries and phase equilibria, crucial fundamental features of phase diagrams can be derived from thermodynamic first principles. Consequently, there are limits to what can be reasonably displayed in a phase diagram, and imagination may start to conflict with thermodynamic realities. Here, the commonly used `crystallization phase diagrams' are derived from thermodynamic excess properties and their limitations and appropriate use is discussed.
Phase diagram of crushed powders
Bodard, Sébastien; Jalbaud, Olivier; Saurel, Richard; Burtschell, Yves; Lapebie, Emmanuel
2016-12-01
Compression of monodisperse powder samples in quasistatic conditions is addressed in a pressure range such that particles fragmentation occurs while the solid remains incompressible (typical pressure range of 1-300 MPa for glass powders). For a granular bed made of particles of given size, the existence of three stages is observed during compression and crush up. First, classical compression occurs and the pressure of the granular bed increases along a characteristic curve as the volume decreases. Then, a critical pressure is reached for which fragmentation begins. During the fragmentation process, the granular pressure stays constant in a given volume range. At the end of this second stage, 20%-50% of initial grains are reduced to finer particles, depending on the initial size. Then the compression undergoes the third stage and the pressure increases along another characteristic curve, in the absence of extra fragmentation. The present paper analyses the analogies between the phase transition in liquid-vapour systems and powder compression with crush-up. Fragmentation diagram for a soda lime glass is determined by experimental means. The analogues of the saturation pressure and latent heat of phase change are determined. Two thermodynamic models are then examined to represent the crush-up diagram. The first one uses piecewise functions while the second one is of van der Waals type. Both equations of state relate granular pressure, solid volume fraction, and initial particle diameter. The piecewise functions approach provides reasonable representations of the phase diagram while the van der Waals one fails.
Phase Diagrams of Nuclear Pasta
Caplan, Matthew; Horowitz, Chuck; Berry, Don; da Silva Schneider, Andre
2016-03-01
In the inner crust of neutrons stars, where matter is near the saturation density, protons and neutrons arrange themselves into complex structures called nuclear pasta. Early theoretical work predicted a simple graduated hierarchy of pasta phases, consisting of spheres, cylinders, slabs, and uniform matter with voids. Previous work has simulated these phases with a simple classical model and has shown that the formation of these structures is dependent on the temperature, density, and proton fraction. However, previous work only studied a limited range of these parameters due to computational limitations. Thanks to recent advances in computing it is now possible to survey the structure of nuclear pasta for a larger range of parameters. By simulating nuclear pasta with constant temperature and proton fraction in an expanding simulation volume we are able to study the phase transitions in nuclear pasta, and thus produce a set of phase diagrams. We report on these phase diagrams as well as newly identified phases of nuclear pasta and discuss their implications for neutron star observables.
Sign-posting the phase diagram of quantum chromodynamics
Indian Academy of Sciences (India)
Sourendu Gupta
2012-10-01
The good agreement between lattice predictions and data for the shape of the distribution of event-by-event fluctuations of the baryon number is discussed. Such comparisons can give fine probes of thermalization, and can be used to provide a direct determination of the cross-over temperature c QCD. The logic of these comparisons and the systematics involved are discussed. The same methods can be used to further explore the phase diagram.
Resummation of Cactus Diagrams in the Clover Improved Lattice Formulation of QCD
Panagopoulos, H
1999-01-01
We extend to the clover improved lattice formulation of QCD the resummation of cactus diagrams, i.e. a certain class of tadpole-like gauge invariant diagrams. Cactus resummation yields an improved perturbative expansion. We apply it to the lattice renormalization of some two-fermion operators improving their one-loop perturbative estimates.
Stiele, Rainer
2016-01-01
Unquenching of the Polyakov-loop potential showed to be an important improvement for the description of the phase structure and thermodynamics of strongly-interacting matter at zero quark chemical potentials with Polyakov-loop extended chiral models. This work constitutes the first application of the quark backreaction on the Polyakov-loop potential at nonzero density. The observation is that it links the chiral and deconfinement phase transition also at small temperatures and large quark chemical potentials. The build up of the surface tension in the Polyakov-loop extended Quark-Meson model is explored by investigating the two and 2+1-flavour Quark-Meson model and analysing the impact of the Polyakov-loop extension. In general, the order of magnitude of the surface tension is given by the chiral phase transition. The coupling of the chiral and deconfinement transition with the unquenched Polyakov-loop potential leads to the fact that the Polyakov-loop contributes at all temperatures.
Phases of planar QCD on the torus
Narayanan, R; Narayanan, Rajamani; Neuberger, Herbert
2005-01-01
At infinite N, continuum Euclidean SU(N) gauge theory defined on a symmetrical four torus has a rich phase structure with phases where the finite volume system behaves as if it had infinite extent in some or all of the directions. In addition, fermions are automatically quenched, so planar QCD should be cheaper to solve numerically that full QCD. Large N is a relatively unexplored and worthwhile direction of research in lattice field theory.
Phase diagram of ammonium nitrate
Dunuwille, M.; Yoo, C. S.
2014-05-01
Ammonium Nitrate (AN) has often subjected to uses in improvised explosive devices, due to its wide availability as a fertilizer and its capability of becoming explosive with slight additions of organic and inorganic compounds. Yet, the origin of enhanced energetic properties of impure AN (or AN mixtures) is neither chemically unique nor well understood -resulting in rather catastrophic disasters in the past1 and thereby a significant burden on safety in using ammonium nitrates even today. To remedy this situation, we have carried out an extensive study to investigate the phase stability of AN at high pressure and temperature, using diamond anvil cells and micro-Raman spectroscopy. The present results confirm the recently proposed phase IV-to-IV' transition above 17 GPa2 and provide new constraints for the melting and phase diagram of AN to 40 GPa and 400 °C.
High temperature phase equilibria and phase diagrams
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
QCD phase diagram : heating or compressing ?
Maire, Antonin
2011-01-01
The sketch tries to address the question of the difference between heating and compressing the baryonic matter in relativistic heavy-ion collisions, i.e. how one can reach in the laboratory "high" temperature at "low" net baryon density (baryon chemical potential) or "low" temperature at "high" net baryon density.
On calculating disconnected-type hadronic light-by-light scattering diagrams from lattice QCD
Hayakawa, M; Christ, N H; Izubuchi, T; Jin, L C; Lehner, C
2015-01-01
For reliable comparison of the standard model prediction to the muon g-2 with its experimental value, the hadronic light-by-light scattering (HLbL) contribution must be calculated by lattice QCD simulation. HLbL contribution has many types of disconnected-type diagrams. Here, we start with recalling the point that must be taken care of in every method to calculate them by lattice QCD, and present one concrete method called nonperturbative QED method.
Stereo 3D spatial phase diagrams
Energy Technology Data Exchange (ETDEWEB)
Kang, Jinwu, E-mail: kangjw@tsinghua.edu.cn; Liu, Baicheng, E-mail: liubc@tsinghua.edu.cn
2016-07-15
Phase diagrams serve as the fundamental guidance in materials science and engineering. Binary P-T-X (pressure–temperature–composition) and multi-component phase diagrams are of complex spatial geometry, which brings difficulty for understanding. The authors constructed 3D stereo binary P-T-X, typical ternary and some quaternary phase diagrams. A phase diagram construction algorithm based on the calculated phase reaction data in PandaT was developed. And the 3D stereo phase diagram of Al-Cu-Mg ternary system is presented. These phase diagrams can be illustrated by wireframe, surface, solid or their mixture, isotherms and isopleths can be generated. All of these can be displayed by the three typical display ways: electronic shutter, polarization and anaglyph (for example red-cyan glasses). Especially, they can be printed out with 3D stereo effect on paper, and watched by the aid of anaglyph glasses, which makes 3D stereo book of phase diagrams come to reality. Compared with the traditional illustration way, the front of phase diagrams protrude from the screen and the back stretches far behind of the screen under 3D stereo display, the spatial structure can be clearly and immediately perceived. These 3D stereo phase diagrams are useful in teaching and research. - Highlights: • Stereo 3D phase diagram database was constructed, including binary P-T-X, ternary, some quaternary and real ternary systems. • The phase diagrams can be watched by active shutter or polarized or anaglyph glasses. • The print phase diagrams retains 3D stereo effect which can be achieved by the aid of anaglyph glasses.
Phase diagram of elastic spheres.
Athanasopoulou, L; Ziherl, P
2017-02-15
Experiments show that polymeric nanoparticles often self-assemble into several non-close-packed lattices in addition to the face-centered cubic lattice. Here, we explore theoretically the possibility that the observed phase sequences may be associated with the softness of the particles, which are modeled as elastic spheres interacting upon contact. The spheres are described by two finite-deformation theories of elasticity, the modified Saint-Venant-Kirchhoff model and the neo-Hookean model. We determine the range of indentations where the repulsion between the spheres is pairwise additive and agrees with the Hertz theory. By computing the elastic energies of nine trial crystal lattices at densities far beyond the Hertzian range, we construct the phase diagram and find the face- and body-centered cubic lattices as well as the A15 lattice and the simple hexagonal lattice, with the last two being stable at large densities where the spheres are completely faceted. These results are qualitatively consistent with observations, suggesting that deformability may indeed be viewed as a generic property that determines the phase behavior in nanocolloidal suspensions.
Phenomena at the QCD phase transition in nonequilibrium chiral fluid dynamics (NχFD)
Energy Technology Data Exchange (ETDEWEB)
Nahrgang, Marlene [Duke University, Department of Physics, Durham, NC (United States); Herold, Christoph [Suranaree University of Technology, School of Physics, Nakhon Ratchasima (Thailand)
2016-08-15
Heavy-ion collisions performed in the beam energy range accessible by the NICA collider facility are expected to produce systems of extreme net-baryon densities and can thus reach yet unexplored regions of the QCD phase diagram. Here, one expects the phase transition between the plasma of deconfined quarks and gluons and the hadronic matter to be of first order. A discovery of the first-order phase transition would as well prove the existence of the QCD critical point, a landmark in the phase diagram. In order to understand possible signals of the first-order phase transition in heavy-ion collision experiments it is very important to develop dynamical models of the phase transition. Here, we discuss the opportunities of studying dynamical effects at the QCD first-order phase transition within our model of nonequilibrium chiral fluid dynamics. (orig.)
The Phases of QCD in Heavy Ion Collisions and Compact Stars
Rajagopal, K
2000-01-01
I review arguments for the existence of a critical point in the QCD phase diagram as a function of temperature and baryon chemical potential. I describe how heavy ion collision experiments at the SPS and RHIC can discover the tell-tale signatures of such a critical point, thus mapping this region of the QCD phase diagram. I then review the phenomena expected in cold dense quark matter: color superconductivity and color-flavor locking. I close with a snapshot of ongoing explorations of the implications of recent developments in our understanding of cold dense quark matter for the physics of compact stars.
Ferroelectric phase diagram of PVDF:PMMA
Li, M.; Stingelin, N.; Michels, J.J.; Spijkman, M.-J.; Asadi, K.; Feldman, K.; Blom, P.W.M.; Leeuw, D.M. de
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 α- and β-phase PVDF was identified. Ferroelectric β-PVDF:PMMA blend films were made b
Ferroelectric Phase Diagram of PVDF : PMMA
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 w
Signals of the QCD Phase Transition in the Heavens
Schaffner-Bielich, J
2007-01-01
The modern phase diagram of strongly interacting matter reveals a rich structure at high-densities due to phase transitions related to the chiral symmetry of quantum chromodynamics (QCD) and the phenomenon of color superconductivity. These exotic phases have significant impacts on high-density astrophysics as the properties of neutron stars and the evolution of astrophysical systems as proto-neutron stars, core-collapse supernovae and neutron star mergers. Most recent pulsar mass measurements and constraints on neutron star radii are critically discussed. Astrophysical signals for exotic matter and phase transitions in high-density matter proposed recently in the literature are outlined. A strong first order phase transition leads to the emergence of a third family of compact stars besides white dwarfs and neutron stars. The different microphysics of quark matter results in an enhanced r-mode stability window for rotating compact stars compared to normal neutron stars. Future telescope and satellite data will...
Phase Diagram of Wilson and Twisted Mass Fermions at finite isospin chemical potential
Kieburg, M; Verbaarschot, J J M; Zafeiropoulos, S
2014-01-01
Wilson Fermions with untwisted and twisted mass are widely used in lattice simulations. Therefore one important question is whether the twist angle and the lattice spacing affect the phase diagram. We briefly report on the study of the phase diagram of QCD in the parameter space of the degenerate quark masses, isospin chemical potential, lattice spacing, and twist angle by employing chiral perturbation theory. Moreover we calculate the pion masses and their dependence on these four parameters.
Neutral mesons and disconnected diagrams in Twisted Mass QCD
Michael, C
2007-01-01
We evaluate properties of neutral mesons in Nf=2 dynamical simulations of TMQCD at maximal twist. The pion is explored - establishing the size of the isospin splitting (an order a^2 effect). We investigate the eta' (the Nf=2 flavour singlet pseudoscalar meson) and neutral rho and scalar mesons. We show that disconnected diagrams can be evaluated very efficiently in TMQCD using variance reduction methods.
Phase diagram to design passive nanostructures
Lee, Jeng Yi
2015-01-01
A phase diagram, defined by the amplitude square and phase of scattering coefficients for absorption cross-section in each individual channel, is introduced as a universal map on the electromagnetic properties for passive scatterers. General physical bounds are naturally revealed based on the intrinsic power conservation in a passive scattering system, entailing power competitions among scattering, absorption, and extinction. Exotic scattering and absorption phenomena, from resonant scattering, invisible cloaking, coherent perfect absorber, and subwavelength superscattering can all be illustrated in this phase diagram. With electrically small core-shell scatterers as an example, we demonstrate a systematic method to design field-controllable structures based on the allowed trajectories in the phase diagram. The proposed phase diagram not only provides a simple tool to design optical devices but also promotes a deep understanding on Mie's scattering theory.
Phase structure with nonzero $\\Theta_{\\rm QCD}$ and twisted mass fermions
Horkel, Derek P
2015-01-01
We determine the phase diagram and chiral condensate for lattice QCD with two flavors of twisted-mass fermions in the presence of nondegenerate up and down quarks, discretization errors and a nonzero value of $\\Theta_{\\rm QCD}$. Although such a theory has a complex action and cannot, at present, be simulated, the results are needed to understand how to tune to maximal twist in the presence of electromagnetism, a topic discussed in a companion paper. We find that, in general, the only phase structure is a first-order transition of finite length. Pion masses are nonvanishing throughout the phase plane except at the endpoints of the first-order line. Only for extremal values of the twist angle and $\\Theta_{\\rm QCD}$ ($\\omega=0$ or $\\pi/2$ and $\\Theta_{\\rm QCD}=0$ or $\\pi$) are there second-order transitions.
A Hybrid Model for QCD Deconfining Phase Boundary
Srivastava, P K
2012-01-01
Intensive search for a proper and realistic equations of state (EOS) is still continued for studying the phase diagram existing between quark gluon plasma (QGP) and hadron gas (HG) phases. Lattice calculations provide such EOS for the strongly interacting matter at finite temperature ($T$) and vanishing baryon chemical potential ($\\mu_{B}$). These calculations are of limited use at finite $\\mu_{B}$ due to the appearance of notorious sign problem. In the recent past, we had constructed a hybrid model description for the QGP as well as HG phases where we make use of a new excluded-volume model for HG and a thermodynamically-consistent quasiparticle model for the QGP phase and used them further to get QCD phase boundary and a critical point. Since then many lattice calculations have appeared showing various thermal and transport properties of QCD matter at finite $T$ and $\\mu_{B}=0$. We test our hybrid model by reproducing the entire data for strongly interacting matter and predict our results at finite $\\mu_{B}...
From ergodicity to extended phase diagrams.
Woodley, Scott M; Sokol, Alexey A
2012-04-16
Structure prediction of stable and metastable phases is put on equal footing for the first time, with a solid thermodynamical background. How to estimate the lifetime of metastable phases is demonstrated by recent groundbreaking work of Jansen, Pentin, and Schön. At the heart lies the exploration of the Gibbs free-energy landscapes and the extended phase diagrams for complex systems.
Mapping the QCD Phase Transition with Accreting Compact Stars
Blaschke, David; Grigorian, Hovik
2008-01-01
We discuss an idea for how accreting millisecond pulsars could contribute to the understanding of the QCD phase transition in the high-density nuclear matter equation of state (EoS). It is based on two ingredients, the first one being a ``phase diagram'' of rapidly rotating compact star configurations in the plane of spin frequency and mass, determined with state-of-the-art hybrid equations of state, allowing for a transition to color superconducting quark matter. The second is the study of spin-up and accretion evolution in this phase diagram. We show that the quark matter phase transition leads to a characteristic line in the Omega-M plane, the phase border between neutron stars and hybrid stars with a quark matter core. Along this line a change in the pulsar's moment of inertia entails a waiting point phenomenon in the accreting millisecond X-ray pulsar (AMXP) evolution: most of these objects should therefore be found along the phase border in the Omega-M plane, which may be viewed as the AMXP analog of th...
Phase diagrams modified by interfacial penalties
Directory of Open Access Journals (Sweden)
Atanacković T.M.
2007-01-01
Full Text Available The conventional forms of phase diagrams are constructed without consideration of interfacial energies and they represent an important tool for chemical engineers and metallurgists. If interfacial energies are taken into consideration, it is intuitively obvious that the regions of phase equilibria must become smaller, because there is a penalty on the formation of interfaces. We investigate this phenomenon qualitatively for a one-dimensional model, in which the phases occur as layers rather than droplets or bubbles. The modified phase diagrams are shown in Chapters 3 and 4.
Phase diagram of a truncated tetrahedral model
Krcmar, Roman; Gendiar, Andrej; Nishino, Tomotoshi
2016-08-01
Phase diagram of a discrete counterpart of the classical Heisenberg model, the truncated tetrahedral model, is analyzed on the square lattice, when the interaction is ferromagnetic. Each spin is represented by a unit vector that can point to one of the 12 vertices of the truncated tetrahedron, which is a continuous interpolation between the tetrahedron and the octahedron. Phase diagram of the model is determined by means of the statistical analog of the entanglement entropy, which is numerically calculated by the corner transfer matrix renormalization group method. The obtained phase diagram consists of four different phases, which are separated by five transition lines. In the parameter region, where the octahedral anisotropy is dominant, a weak first-order phase transition is observed.
Modeling the phase diagram of carbon
Ghiringhelli, L.M.; Los, J.H.; Meijer, E.J.; Fasolino, A.; Frenkel, D.
2005-01-01
We determined the phase diagram involving diamond, graphite, and liquid carbon using a recently developed semiempirical potential. Using accurate free-energy calculations, we computed the solid-solid and solid-liquid phase boundaries for pressures and temperatures up to 400 GPa and 12 000 K, respect
Phase diagram distortion from traffic parameter averaging.
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
Phase diagram distortion from traffic parameter averaging.
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 theori
Incani, E.; Usai, G.
2017-05-01
In this paper new ideas to experimentally investigate the issues of chiral symmetry restoration and the first order phase transition in the region of moderate-large baryon density of the phase diagram of strongly interacting matter are presented. The experimental strategy to address these points is to use a new fixed-target experiment at the CERN SPS (Super Proton Synchrotron) dedicated to the measurement of the production of muon pairs with unprecedented precision. Dileptons offer the possibility to measure temperature to obtain a caloric curve and to probe chiral symmetry restoration by studying for the first time the mass modifications in a simultaneous measurement of the vector meson ρ and its axial vector partner a1.
Phase diagrams of diluted transverse Ising nanowire
Energy Technology Data Exchange (ETDEWEB)
Bouhou, S.; Essaoudi, I. [Laboratoire de Physique des Matériaux et Modélisation, des Systèmes, (LP2MS), Unité Associée au CNRST-URAC 08, University of Moulay Ismail, Physics Department, Faculty of Sciences, B.P. 11201 Meknes (Morocco); Ainane, A., E-mail: ainane@pks.mpg.de [Laboratoire de Physique des Matériaux et Modélisation, des Systèmes, (LP2MS), Unité Associée au CNRST-URAC 08, University of Moulay Ismail, Physics Department, Faculty of Sciences, B.P. 11201 Meknes (Morocco); Max-Planck-Institut für Physik Complexer Systeme, Nöthnitzer Str. 38 D-01187 Dresden (Germany); Saber, M. [Laboratoire de Physique des Matériaux et Modélisation, des Systèmes, (LP2MS), Unité Associée au CNRST-URAC 08, University of Moulay Ismail, Physics Department, Faculty of Sciences, B.P. 11201 Meknes (Morocco); Max-Planck-Institut für Physik Complexer Systeme, Nöthnitzer Str. 38 D-01187 Dresden (Germany); Ahuja, R. [Condensed Matter Theory Group, Department of Physics and Astronomy, Uppsala University, 75120 Uppsala (Sweden); Dujardin, F. [Laboratoire de Chimie et Physique des Milieux Complexes (LCPMC), Institut de Chimie, Physique et Matériaux (ICPM), 1 Bd. Arago, 57070 Metz (France)
2013-06-15
In this paper, the phase diagrams of diluted Ising nanowire consisting of core and surface shell coupling by J{sub cs} exchange interaction are studied using the effective field theory with a probability distribution technique, in the presence of transverse fields in the core and in the surface shell. We find a number of characteristic phenomena. In particular, the effect of concentration c of magnetic atoms, the exchange interaction core/shell, the exchange in surface and the transverse fields in core and in surface shell of phase diagrams are investigated. - Highlights: ► We use the EFT to investigate the phase diagrams of Ising transverse nanowire. ► Ferrimagnetic and ferromagnetic cases are investigated. ► The effects of the dilution and the transverse fields in core and shell are studied. ► Behavior of the transition temperature with the exchange interaction is given.
Shock dynamics of phase diagrams
Moro, Antonio
2014-01-01
A thermodynamic phase transition denotes a drastic change of state of a physical system due to a continuous change of thermodynamic variables, as for instance pressure and temperature. The classical van der Waals equation of state is the simplest model that predicts the occurrence of a critical point associated with the gas-liquid phase transition. Nevertheless, below the critical temperature, theoretical predictions of the van der Waals theory significantly depart from the observed physical behaviour. We develop a novel approach to classical thermodynamics based on the solution of Maxwell relations for a generalised family of nonlocal entropy functions. This theory provides an exact mathematical description of discontinuities of the order parameter within the phase transition region, it explains the universal form of the equations of state and the occurrence of triple points in terms of the dynamics of nonlinear shock wave fronts.
Phase diagram of a single lane roundabout
Echab, H.; Lakouari, N.; Ez-Zahraouy, H.; Benyoussef, A.
2016-03-01
Using the cellular automata model, we numerically study the traffic dynamic in a single lane roundabout system of four entry/exit points. The boundaries are controlled by the injecting rates α1, α2 and the extracting rate β. Both the system with and without Splitter Islands of width Lsp are considered. The phase diagram in the (α1 , β) space and its variation with the roundabout size, Pagg (i.e. the probability of aggressive entry), and Pexit (i.e. the probability of preferential exit) are constructed. The results show that the phase diagram in both cases consists of three phases: free flow, congested and jammed. However, as Lsp increases the free flow phase enlarges while the congested and jammed ones shrink. On the other hand, the short sized roundabout shows better performance in the free flow phase while the large one is more optimal in the congested phase. The density profiles are also investigated.
Prediction of boron carbon nitrogen phase diagram
Yao, Sanxi; Zhang, Hantao; Widom, Michael
We studied the phase diagram of boron, carbon and nitrogen, including the boron-carbon and boron-nitrogen binaries and the boron-carbon-nitrogen ternary. Based on the idea of electron counting and using a technique of mixing similar primitive cells, we constructed many ''electron precise'' structures. First principles calculation is performed on these structures, with either zero or high pressures. For the BN binary, our calculation confirms that a rhmobohedral phase can be stablized at high pressure, consistent with some experimental results. For the BCN ternary, a new ground state structure is discovered and an Ising-like phase transition is suggested. Moreover, we modeled BCN ternary phase diagram and show continuous solubility from boron carbide to the boron subnitride phase.
Magnetic phase diagram of Ho-Ag
Energy Technology Data Exchange (ETDEWEB)
Paul-Boncour, V [Chimie Metallurgique des Terres Rares, ICMPE, CNRS, 2 rue H Dunant, 94320 Thiais (France); Hoser, A; Stuesser, N [Hahn-Meitner Institut, Glienicker Strasse 100, 14109, Berlin (Germany); Hense, K; Gratz, E [Institute for Experimental Physics, Technical University Vienna, Wiedner Hauptstrasse 8-10, A-1040 (Austria); Rotter, M [Institut fuer Physikalische Chemie, Universitaet Wien, Waehringerstrasse 42, 1090 Wien (Austria)], E-mail: paulbon@glvt-cnrs.fr
2008-03-12
The magnetic phase diagram of Ho-Ag has been established using magnetoresistance, magnetostriction and neutron diffraction experiments versus applied field and temperature. Three different magnetic phases were observed: an incommensurate antiferromagnetic phase (IC) below T{sub N} = 33 K, a commensurate antiferromagnetic phase (C) above 5 T and below T{sub 1} (5-8 K) and a ferromagnetic component above 3 T. The IC phase undergoes spin reorientations around 5 T (IC') and 13 T (IC'')
Phase Diagram in Quantum Chromodynamics
Apostol, M
2013-01-01
It is suggested that the hadronization of the quark-gluon plasma is a first-order phase transition described by a critical curve in the temperature-(quark) density plane which terminates in a critical point. Such a critical curve is derived from the van der Waals equation and its parameters are estimated by using the theoretical approach given in M. Apostol, Roum. Reps. Phys. 59 249 (2007); Mod. Phys. Lett. B21 893 (2007). The main assumption is that quark-gluon plasma created by high-energy nucleus-nucleus collisions is a gas of ultrarelativistic quarks in equilibrium with gluons (vanishing chemical potential, indefinite number of quarks). This plasma expands, gets cool and dilute and hadronizes at a certain transition temperature and transition density. The transition density is very close to the saturation density of the nuclear matter and, it is suggested that both these points are very close to the critical point n~1fm^{-3} (quark density) and T~200MeV (temperature).
Phase Diagrams of Strongly Interacting Theories
DEFF Research Database (Denmark)
Sannino, Francesco
2010-01-01
We summarize the phase diagrams of SU, SO and Sp gauge theories as function of the number of flavors, colors, and matter representation as well as the ones of phenomenologically relevant chiral gauge theories such as the Bars-Yankielowicz and the generalized Georgi-Glashow models. We finally repo...
Phase Diagram of Vertically Shaken Granular Matter
Eshuis, P; Lohse, D; Van der Meer, D; Van der Weele, K; Bos, Robert; Eshuis, Peter; Lohse, Detlef; Meer, Devaraj van der; Weele, Ko van der
2006-01-01
A shallow, vertically shaken granular bed in a quasi 2-D container is studied experimentally yielding a wider variety of phenomena than in any previous study: (1) bouncing bed, (2) undulations, (3) granular Leidenfrost effect, (4) convection rolls, and (5) granular gas. These phenomena and the transitions between them are characterized by dimensionless control parameters and combined in a full experimental phase diagram.
Complexities of One-Component Phase Diagrams
Ciccioli, Andrea; Glasser, Leslie
2011-01-01
For most materials, the solid at and near the triple-point temperature is denser than the liquid with which it is in equilibrium. However, for water and certain other materials, the densities of the phases are reversed, with the solid being less dense. The profound consequences for the appearance of the "pVT" diagram of one-component materials…
Fog Machines, Vapors, and Phase Diagrams
Vitz, Ed
2008-01-01
A series of demonstrations is described that elucidate the operation of commercial fog machines by using common laboratory equipment and supplies. The formation of fogs, or "mixing clouds", is discussed in terms of the phase diagram for water and other chemical principles. The demonstrations can be adapted for presentation suitable for elementary…
Mineev, V. P.
2017-03-01
The temperature-pressure phase diagram of ferromagnetic superconductor UCoGe includes four phase transitions. They are between the paramagnetic and the ferromagnetic states with the subsequent transition in the superconducting ferromagnetic state and between the normal and the superconducting states after which the transition to the superconducting ferromagnetic state has to occur. Here we have developed the Landau theory description of the phase diagram and established the specific ordering arising at each type of transition. The phase transitions to the ferromagnetic superconducting state are inevitably accompanied by the emergence of screening currents. The corresponding magnetostatics considerations allow for establishing the significant difference between the transition from the ferromagnetic to the ferromagnetic superconducting state and the transition from the superconducting to the ferromagnetic superconducting state.
An electromagnetic signal of the QCD phase transition in neutron star mergers
Chen, Pisin
2013-01-01
Mergers of binary neutron stars create conditions of supranuclear density $n\\gtrsim n_{\\rm nuc}\\simeq 0.17 {\\rm fm}^{-3}$ and moderate temperature $20\\lesssim T \\lesssim 100 {\\rm MeV}$. These events thus probe a sensitive region of the density-temperature phase diagram of QCD matter. We study photon production by the QCD conformal anomaly for a signal of a possible transition to quark degrees of freedom during the merger. We discuss energy loss due to photon radiation as a cooling mechanism that is sensitive to the bulk viscosity and thermal conductivity of the quark matter.
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.
Phase structure of finite density QCD with a histogram method
Nakagawa, Yoshiyuki; Ejiri, Shinji; Hatsuda, Tetsuo; Kanaya, Kazuyuki; Ohno, Hiroshi; Saito, Hana; Umeda, Takashi
2012-01-01
We study the phase structure of QCD in the $T-\\mu$ plane using a histogram method and the reweighting technique by performing phase quenched simulations of two-flavor QCD with RG-improved gauge action and O($a$) improved Wilson quark action. Taking the effects of the complex phase of the quark determinant using the cumulant expansion method, we calculate the probability distribution function of plaquette and phase-quenched determinant as a function of $T$ and $\\mu$. We discuss the order of the QCD phase transition consulting the shape of the probability distribution function.
Antiferromagnetic phase diagram of the cuprate superconductors
Nunes, L. H. C. M.; Teixeira, A. W.; Marino, E. C.
2017-02-01
Taking the spin-fermion model as the starting point for describing the cuprate superconductors, we obtain an effective nonlinear sigma-field hamiltonian, which takes into account the effect of doping in the system. We obtain an expression for the spin-wave velocity as a function of the chemical potential. For appropriate values of the parameters we determine the antiferromagnetic phase diagram for the YBa2Cu3O6+x compound as a function of the dopant concentration in good agreement with the experimental data. Furthermore, our approach provides a unified description for the phase diagrams of the hole-doped and the electron doped compounds, which is consistent with the remarkable similarity between the phase diagrams of these compounds, since we have obtained the suppression of the antiferromagnetic phase as the modulus of the chemical potential increases. The aforementioned result then follows by considering positive values of the chemical potential related to the addition of holes to the system, while negative values correspond to the addition of electrons.
Hydrodynamics of bacterial colonies: Phase diagrams
Lega, J.; Passot, T.
2004-09-01
We present numerical simulations of a recent hydrodynamic model describing the growth of bacterial colonies on agar plates. We show that this model is able to qualitatively reproduce experimentally observed phase diagrams, which relate a colony shape to the initial quantity of nutrients on the plate and the initial wetness of the agar. We also discuss the principal features resulting from the interplay between hydrodynamic motions and colony growth, as described by our model.
Phase Diagram Modelling: Nickel - Aluminum - Chromium System
1998-04-01
conducted by Kaufman and co-workers and their lattice stabilities have formed the basis of phase diagram calculations to the present day.1 In...mol ( 0.74827 Ni + 0.73305E-01 Cr + 0.83609E-02 Al ( 1200.00 C, 1.0000 <—s -.Molten alloy <—s <—s) atm, L- NiCrAl , a=0.82994 ) 0.00000
Metastable phases and "metastable" phase diagrams
Brazhkin, V. V.
2006-01-01
The work discusses specifics of phase transitions for metastable states of substances. The objects of condensed media physics are primarily equilibrium states of substances with metastable phases viewed as an exception, while the overwhelming majority of organic substances investigated in chemistry are metastable. It turns out that at normal pressure many of simple molecular compounds based on light elements (these include: most hydrocarbons; nitrogen oxides, hydrates, and carbides; carbon ox...
Ab initio phase diagram of iridium
Burakovsky, L.; Burakovsky, N.; Cawkwell, M. J.; Preston, D. L.; Errandonea, D.; Simak, S. I.
2016-09-01
The phase diagram of iridium is investigated using the Z methodology. The Z methodology is a technique for phase diagram studies that combines the direct Z method for the computation of melting curves and the inverse Z method for the calculation of solid-solid phase boundaries. In the direct Z method, the solid phases along the melting curve are determined by comparing the solid-liquid equilibrium boundaries of candidate crystal structures. The inverse Z method involves quenching the liquid into the most stable solid phase at various temperatures and pressures to locate a solid-solid boundary. Although excellent agreement with the available experimental data (to ≲65 GPa) is found for the equation of state (EOS) of Ir, it is the third-order Birch-Murnaghan EOS with B0'=5 rather than the more widely accepted B0'=4 that describes our ab initio data to higher pressure (P ) . Our results suggest the existence of a random-stacking hexagonal close-packed structure of iridium at high P . We offer an explanation for the 14-layer hexagonal structure observed in experiments by Cerenius and Dubrovinsky.
The Hot QCD White Paper: Exploring the Phases of QCD at RHIC and the LHC
Akiba, Yasuyuki; Caines, Helen; Frawley, Anthony; Heinz, Ulrich; Jacak, Barbara; Jia, Jiangyong; Lappi, Tuomas; Li, Wei; Majumder, Abhijit; Morrison, David; Ploskon, Mateusz; Putschke, Joern; Rajagopal, Krishna; Rapp, Ralf; Roland, Gunther; Sorensen, Paul; Wiedemann, Urs; Xu, Nu; Zajc, W A
2015-01-01
The past decade has seen huge advances in experimental measurements made in heavy ion collisions at the Relativistic Heavy Ion Collider (RHIC) and more recently at the Large Hadron Collider (LHC). These new data, in combination with theoretical advances from calculations made in a variety of frameworks, have led to a broad and deep knowledge of the properties of thermal QCD matter. Increasingly quantitative descriptions of the quark-gluon plasma (QGP) created in these collisions have established that the QGP is a strongly coupled liquid with the lowest value of specific viscosity ever measured. However, much remains to be learned about the precise nature of the initial state from which this liquid forms, how its properties vary across its phase diagram and how, at a microscopic level, the collective properties of this liquid emerge from the interactions among the individual quarks and gluons that must be visible if the liquid is probed with sufficiently high resolution. This white paper, prepared by the Hot Q...
Gravitational waves generated from the cosmological QCD phase transition within AdS/QCD
Directory of Open Access Journals (Sweden)
M. Ahmadvand
2017-09-01
Full Text Available We study the gravitational waves produced by the collision of the bubbles as a probe for the cosmological first order QCD phase transition, considering heavy static quarks. Using AdS/QCD and the correspondence between a first order Hawking–Page phase transition and confinement–deconfinement phase transition, we find the spectrum and the strain amplitude of the gravitational wave within the hard and soft wall models. We postulate the duration of the phase transition corresponds to the evaporation time of the black hole in the five dimensional dual gravity space, and thereby obtain a bound on the string length in the space and correspondingly on the duration of the QCD phase transition. We also show that IPTA and SKA detectors will be able to detect these gravitational waves, which can be an evidence for the first order deconfinement transition.
Phase diagram of quantum square ice
Henry, Louis-Paul; Holdsworth, Peter; Mila, Frederic; Roscilde, Tommaso
2013-03-01
We have investigated the ground-state and finite-temperature phase diagram of quantum square ice - realized by the transverse-field Ising model on a checkerboard lattice - using both linear spin-wave (LSW) theory and quantum Monte Carlo (QMC). We generalize the model with different couplings between nearest (J1) and next-to-nearest (J2) neighbors on the checkerboard lattice. Our QMC approach generalizes the loop algorithm - very efficient in the study of constrained classical systems - to a ``brane algorithm'' for quantum systems. At the LSW level the vast degeneracy of the ground-state for J1 =J2 and J2 >J1 remains intact; moreover LSW theory breaks down in extended regions of the phase diagram, pointing at non-classical states. Our QMC study goes beyond perturbative schemes and addresses directly the nature of the low-temperature phases. We have critically examined the possibility of a resonating-plaquette state for J1 =J2 , suggested by degenerate perturbation theory on the ice-rule manifold for weak fields. Our QMC results for finite fields confirm the absence of Néel or collinear order, but they do not confirm the presence of resonating-plaquette order, pointing at a possibly more complex non-classical state.
Phase Diagram of the Frustrated Hubbard Model
Zitzler, R.; Tong, N.-H.; Pruschke, Th.; Bulla, R.
2004-07-01
The Mott-Hubbard metal-insulator transition in the paramagnetic phase of the one-band Hubbard model has long been used to describe similar features in real materials like V2O3. In this Letter we investigate the antiferromagnetic phase of this model with frustration. At T=0 we find a first-order transition from a paramagnetic metal to an antiferromagnetic insulator. We show that even in the presence of strong magnetic frustration, the paramagnetic metal-insulator transition is hidden inside an extended antiferromagnetic region. This raises the question of whether the one-band Hubbard model with frustration is sufficient to describe the phase diagram of V2O3 or similar transition metal oxides even qualitatively.
Understanding starch gelatinization: The phase diagram approach.
Carlstedt, Jonas; Wojtasz, Joanna; Fyhr, Peter; Kocherbitov, Vitaly
2015-09-20
By constructing a detailed phase diagram for the potato starch-water system based on data from optical microscopy, synchrotron X-ray scattering and differential scanning calorimetry, we show that gelatinization can be interpreted in analogy with a eutectic transition. The phase rule explains why the temperature of the gelatinization transition (G) is independent on water content. Furthermore, the melting (M1) endotherm observed in DSC represents a liquidus line; the temperature for this event increases with increasing starch concentration. Both the lamellar spacing and the inter-helix distance were observed to decrease with increasing starch content for starch concentrations between approximately 65 wt% and 75 wt%, while the inter-helix distance continued decreasing upon further dehydration. Understanding starch gelatinization has been a longstanding challenge. The novel approach presented here shows interpretation of this phenomenon from a phase equilibria perspective. Copyright © 2015 Elsevier Ltd. All rights reserved.
A statistical approach to the QCD phase transition --A mystery in the critical temperature
Ishii, Noriyoshi; Suganuma, Hideo
2002-01-01
We study the QCD phase transition based on the statistical treatment with the bag-model picture of hadrons, and derive a phenomenological relation among the low-lying hadron masses, the hadron sizes and the critical temperature of the QCD phase transition. We apply this phenomenological relation to both full QCD and quenched QCD, and compare these results with the corresponding lattice QCD results. Whereas such a statistical approach works well in full QCD, it results in an extremely large es...
Phase diagram of colloid-rod system
Lai, S. K.; Xiao, Xuhui
2010-01-01
The semigrand ensemble theory [H. N. W. Lekkerkerker, W. C. K. Poon, P. N. Pusey, A. Stroobants, and P. B. Warren, Europhys. Lett. 20, 559 (1992)] in conjunction with the fundamental measure density functional theory [V. B. Warshavsky and X. Song, Phys. Rev. E 69, 061113 (2004)] are used to construct the Helmholtz free energy densities of a mixture of uncharged colloidal hard spheres and colloidal rods in its solid and liquid phases. Given these free energy density functions, we apply the free energy density minimization method [G. F. Wang and S. K. Lai, Phys. Rev. E 70, 051402 (2004)] to crosshatch the system's regions of phases in coexistence. The calculated results show that the triangular area bounded by gas-liquid, gas-solid, and liquid-solid coexisting two phases which has been called the coexistence region of gas-liquid-solid corresponds in fact to sets of two phases in coexistence. The phase boundaries which define our calculated coexistence domains compare very well with previous theoretical calculations. The relevance of the phase-diagram domains to three phases in coexistence will be discussed.
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.
The Phase Diagram of Superionic Ice
Sun, Jiming; Clark, Bryan; Car, Roberto
2014-03-01
Using the variable cell Car-Parrinello molecular dynamics method, we study the phase diagram of superionic ice from 200GPa to 2.5TPa. We present evidence that at very high pressure the FCC structure of the oxygen sublattice may become unstable allowing for a new superionic ice phase, in which the oxygen sublattice takes the P21 structure found in zero-temperature total energy calculations. We also report on how the melting temperature of the hydrogen sublattice is affected by this new crystalline structure of the oxygen sublattice. This work was supported by the NSF under grant DMS-1065894(J.S. and R.C.) and PHY11-25915(B.C.).
Interface Effect in QCD Phase Transitions via Dyson-Schwinger Equation Approach
Gao, Fei
2016-01-01
With the chiral susceptibility criterion we obtain the phase diagram of strong-interaction matter in terms of temperature and chemical potential in the framework of Dyson-Schwinger equations (DSEs) of QCD.After calculating the pressure and some other thermodynamic properties of the matter in the DSE method, we get the phase diagram in terms of temperature and baryon number density. We also obtain the interface tension and the interface entropy density to describe the inhomogeneity of the two phases in the coexistence region of the first order phase transition. After including the interface effect, we find that the total entropy density of the system increases in both the deconfinement (dynamical chiral symmetry restoration) and the hadronization (dynamical chiral symmetry breaking) processes of the first order phase transitions and thus solve the entropy puzzle in the hadronization process.
Interface effect in QCD phase transitions via Dyson-Schwinger equation approach
Gao, Fei; Liu, Yu-xin
2016-11-01
With the chiral susceptibility criterion, we obtain the phase diagram of strong-interaction matter in terms of temperature and chemical potential in the framework of Dyson-Schwinger equations of QCD. After calculating the pressure and some other thermodynamic properties of the matter in the Dyson-Schwinger method, we get the phase diagram in terms of temperature and baryon number density. We also obtain the interface tension and the interface entropy density to describe the inhomogeneity of the two phases in the coexistence region of the first-order phase transition. After including the interface effect, we find that the total entropy density of the system increases in both the deconfinement (dynamical chiral symmetry restoration) and the hadronization (dynamical chiral symmetry breaking) processes of the first-order phase transitions and thus solve the entropy puzzle in the hadronization process.
Phase Diagrams for Systems Containing Hyperbranched Polymers
Directory of Open Access Journals (Sweden)
Tim Zeiner
2012-01-01
Full Text Available Hyperbranched polymers show an outstanding potential for applications ranging from chemistry over nanotechnology to pharmacy. In order to take advantage of this potential, the underlying phase behaviour must be known. From the thermodynamic point of view, the modelling of these phase diagrams is quite challenging, because the thermodynamic properties depend on the architecture of the hyperbranched polymer as well as on the number and kind of present functional end groups. The influence of architecture can be taken into account via the lattice cluster theory (LCT as an extension of the well-known Flory–Huggins theory. Whereas the Flory–Huggins theory is limited to linear polymer chains, the LCT can be applied to an arbitrary chain architecture. The number and the kind of functional groups can be handled via the Wertheim perturbation theory, applicable for directed forces between the functional groups and the surrounding solvent molecules. The combination of the LCT and the Wertheim theory can be established for the modelling or even prediction of the liquid-liquid equilibria (LLE of polymer solutions in a single solvent or in a solvent mixture or polymer blends, where the polymer can have an arbitrary structure. The applied theory predicts large demixing regions for mixtures of linear polymers and hyperbranched polymers, as well as for mixtures made from two hyperbranched polymers. The introduction of empty lattice sites permits the theoretical investigation of pressure effects on phase behaviour. The calculated phase diagrams were compared with own experimental data or to experimental data taken from literature.
Phase Diagrams of Silicate Systems: Handbook; Third Issue; Ternary Systems
In the third issue of the handbook Phase Diagrams of Silicate Systems, information is included on the phase relationships in systems containing...radioelectronics, nuclear engineering, etc. Not only are equilibrium phase diagrams presented in the handbook, but the phases existing in the
Phase diagram of a Schelling segregation model
Gauvin, L.; Vannimenus, J.; Nadal, J.-P.
2009-07-01
The collective behavior in a variant of Schelling’s segregation model is characterized with methods borrowed from statistical physics, in a context where their relevance was not conspicuous. A measure of segregation based on cluster geometry is defined and several quantities analogous to those used to describe physical lattice models at equilibrium are introduced. This physical approach allows to distinguish quantitatively several regimes and to characterize the transitions between them, leading to the building of a phase diagram. Some of the transitions evoke empirical sudden ethnic turnovers. We also establish links with ‘spin-1’ models in physics. Our approach provides generic tools to analyze the dynamics of other socio-economic systems.
Water, Water Everywhere: Phase Diagrams of Ordinary Water Substance
Glasser, L.
2004-01-01
The full phase diagram of water in the form of a graphical representation of the three-dimensional (3D) PVT diagram using authentic data is presented. An interesting controversy regarding the phase behavior of water was the much-touted proposal of a solid phase of water, polywater, supposedly stable under atmospheric conditions.
Saccone, A.; Cardinale, A. M.; Delfino, S.; Ferro, R.
2003-03-01
The dysprosium-zinc phase diagram has been investigated over its entire composition range by using differential thermal analysis, (DTA) metallographic analysis, X-ray powder diffraction, and electron probe microanalysis (EPMA). Seven intermetallic phases have been found and their structures confirmed. DyZn, DyZn2, Dy13Zn58, and Dy2Zn17 melt congruently at 1095 °C, 1050 °C, 930 °C, and 930 °C, respectively. DyZn3, Dy3Zn11, and DyZn12 form through peritectic reactions at 895 °C, about 900 °C and 685 °C, respectively. Four eutectic reactions occur at 850 °C and 30.0 at pct Zn (between (Dy) and DyZn), 990 °C and 60.0 at pct Zn (between DyZn and DyZn2), 885 °C and 76.0 at pct Zn (between DyZn3 and Dy3Zn11), and 875 °C and 85.0 at pct Zn (involving Dy13Zn58 and Dy2Zn17). The Dy-rich end presents a catatectic equilibrium; a degenerate invariant effect has been found in the Zn-rich region. The phase equilibria of the Dy-Zn alloys are discussed and compared with those of the other known RE-Zn systems (RE=rare earth metal) in view of the regular change in the relative stabilities of the phases across the lanthanide series
Instabilities near the QCD phase transition in the holographic models
Gürsoy, U.; Lin, S.; Shuryak, E.
2013-01-01
This paper discusses phenomena close to the critical QCD temperature, using the holographic model. One issue studied is the overcooled high-T phase, in which we calculate quasinormal sound modes. We do not find instabilities associated with other first-order phase transitions, but nevertheless obser
Regularization dependence on phase diagram in Nambu-Jona-Lasinio model
Inagaki, T; Kohyama, H
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. We find that the meson properties and the phase structure do not show drastically difference depending the regularization procedures. We also 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.
Le Minh, Tam; von Langermann, Jan; Lorenz, Heike; Seidel-Morgenstern, Andreas
2010-09-01
A systematic study of binary melting point and ternary solubility phase diagrams of the enantiomeric 3-chloromandelic acid (3-ClMA) system was performed under consideration of polymorphism. The melting point phase diagram was measured by means of thermal analysis, that is, using heat-flux differential scanning calorimetry (DSC). The results reveal that 3-ClMA belongs to the racemic compound-forming systems. Polymorphism was found for both the enantiomer and the racemate as confirmed by X-ray powder diffraction analysis. The ternary solubility phase diagram of 3-ClMA in water was determined between 5 and 50 degrees C by the classical isothermal technique. The solubilities of the pure enantiomers are extremely temperature-dependent. The solid-liquid equilibria of racemic 3-ClMA are not trivial due to the existence of polymorphism. The eutectic composition in the chiral system changes as a function of temperature. Further, solubility data in the alternative solvent toluene are also presented.
Phase Diagram of Dynamical Twisted Mass Wilson Fermions at Finite Isospin Chemical Potential
Janssen, Oliver; Splittorff, K; Verbaarschot, Jacobus J M; Zafeiropoulos, Savvas
2015-01-01
We consider the phase diagram of twisted mass Wilson fermions of two-flavor QCD in the parameter space of the quark mass, the isospin chemical potential, the twist angle and the lattice spacing. This work extends earlier studies in the continuum and those at zero chemical potential. We evaluate the phase diagram as well as the spectrum of the (pseudo-)Goldstone bosons using the chiral Lagrangian for twisted mass Wilson fermions at non-zero isospin chemical potential. The phases are obtained from a mean field analysis. At zero twist angle we find that already an infinitesimal isospin chemical potential destroys the Aoki phase. The reason is that in this phase we have massless Goldstone bosons with a non-zero isospin charge. At finite twist angle only two different phases are present, one phase which is continuously connected to the Bose condensed phase at non-zero chemical potential and another phase which is continuously connected to the normal phase. For either zero or maximal twist the phase diagram is more...
ALLOYS, YTTERBIUM, TERBIUM, MANGANESE ALLOYS, MERCURY ALLOYS, X RAY DIFFRACTION, X RAY SPECTROSCOPY, DIFFERENTIAL THERMAL ANALYSIS, PHASE DIAGRAMS , MAGNETIC PROPERTIES, CRYSTAL STRUCTURE, METALLOGRAPHY, AUSTRIA
The dysprosium-tin phase diagram
Energy Technology Data Exchange (ETDEWEB)
Eremenko, V.N.; Bulanova, M.V.; Martsenjuk, P.S. (I.N. Frantsevich Inst. for Problems of Materials Science, Kiev (Ukraine))
1992-12-07
The dysprosium-tin phase diagram was established by means of differential thermal, X-ray and microscopic analyses of 22 alloys. Seven intermetallic compounds were found to exist in the system. Dy[sub 5]Sn[sub 3] melts congruently at 1870 degC, and undergoes a polymorphous transformation at 1823 [+-] 6 degC. The intermetallics Dy[sub 5]Sn[sub 4], Dy[sub 11]Sn[sub 10], DySn, Dy[sub 4]Sn[sub 5], DySn[sub 2], DySn[sub 3] are formed peritectically at 1712 [+-]11, 1605 [+-]12, 1208 [+-]3, 1166 [+-]7, 1138 [+-]3 and 747 [+-]6 degC respectively. DySn[sub 3] exists in a narrow temperature range, in two polymorphous modifications. The transformation [beta]-DySn[sub 3] [yields] [alpha]-DySn[sub 3] occurs at 608 [+-] 12 degC, and at 499 [+-]2 degC [alpha]-DySn[sub 3] decomposes to DySn[sub 2] and the tin-rich melt. The dysprosium-rich eutectic crystallizes at 1204 [+-]10 degC and contains 13 at.% tin. The solid-state solubility of tin in dysprosium is about 3 at.%, and that of dysprosium in tin is negligible.
An Introductory Idea for Teaching Two-Component Phase Diagrams
Peckham, Gavin D.; McNaught, Ian J.
2011-01-01
The teaching of two-component phase diagrams has attracted little attention in this "Journal," and it is hoped that this article will make a useful contribution. Current physical chemistry textbooks describe two-component phase diagrams adequately, but do so in a piecemeal fashion one section at a time; first solid-liquid equilibria, then…
Phase transitions in dense 2-colour QCD
Boz, Tamer; Fister, Leonard; Skullerud, Jon-Ivar
2013-01-01
We investigate 2-colour QCD with 2 flavours of Wilson fermion at nonzero temperature T and quark chemical potential mu, with a pion mass of 700 MeV (m_pi/m_rho=0.8). From temperature scans at fixed mu we find that the critical temperature for the superfluid to normal transition depends only very weakly on mu above the onset chemical potential, while the deconfinement crossover temperature is clearly decreasing with mu. We also present results for the Landau-gauge gluon propagator in the hot and dense medium.
Calculation of Gallium-metal-Arsenic phase diagrams
Scofield, J. D.; Davison, J. E.; Ray, A. E.; Smith, S. R.
1991-01-01
Electrical contacts and metallization to GaAs solar cells must survive at high temperatures for several minutes under specific mission scenarios. The determination of which metallizations or alloy systems that are able to withstand extreme thermal excursions with minimum degradation to solar cell performance can be predicted by properly calculated temperature constitution phase diagrams. A method for calculating a ternary diagram and its three constituent binary phase diagrams is briefly outlined and ternary phase diagrams for three Ga-As-X alloy systems are presented. Free energy functions of the liquid and solid phase are approximated by the regular solution theory. Phase diagrams calculated using this method are presented for the Ga-As-Ge and Ga-As-Ag systems.
Histogram method in finite density QCD with phase quenched simulations
Nakagawa, Y; Aoki, S; Kanaya, K; Ohno, H; Saito, H; Hatsuda, T; Umeda, T
2011-01-01
We propose a new approach to finite density QCD based on a histogram method with phase quenched simulations at finite chemical potential. Integrating numerically the derivatives of the logarithm of the quark determinant with respect to the chemical potential, we calculate the reweighting factor and the complex phase of the quark determinant. The complex phase is handled with a cumulant expansion to avoid the sign problem. We examine the applicability of this method.
Ferrian Ilmenites: Investigating the Magnetic Phase Diagram
Lagroix, F.
2007-12-01
The main objective of this study is to investigate the magnetic phase changes within the hematite-ilmenite solid solution, yFeTiO3·(1-y)·Fe2O3. Two sets of synthetic ferrian ilmenites of y-values equal to 0.7, 0.8, 0.9, and 1.0 were available for this study. As currently drawn, the magnetic phase diagram, proposed by Ishikawa et al. [1985, J. Phys. Soc. Jpn. v.54, 312-325], predicts for increasing y values (0.5
Finite Temperature Phase Diagramm of QCD with improved Wilson fermions
Karsch, Frithjof; Oevers, M; Schmidt, P
1998-01-01
We present first results of a study of two flavour QCD with Wilson fermions at finite temperature. We have used tree level Symanzik improvement in both the gauge and fermion part of the action. In a first step we explore the phase diagramm on an $8^3 \\times 4$ lattice, with particular emphasis on checking Aoki's conjecture with an improved action.
QCD Green's Functions and Phases of Strongly-Interacting Matter
Directory of Open Access Journals (Sweden)
Schaefer B.J.
2011-04-01
Full Text Available After presenting a brief summary of functional approaches to QCD at vanishing temperatures and densities the application of QCD Green's functions at non-vanishing temperature and vanishing density is discussed. It is pointed out in which way the infrared behavior of the gluon propagator reflects the (de-confinement transition. Numerical results for the quark propagator are given thereby verifying the relation between (de--confinement and dynamical chiral symmetry breaking (restoration. Last but not least some results of Dyson-Schwinger equations for the color-superconducting phase at large densities are shown.
Using a Spreadsheet To Explore Melting, Dissolving and Phase Diagrams.
Goodwin, Alan
2002-01-01
Compares phase diagrams relating to the solubilities and melting points of various substances in textbooks with those generated by a spreadsheet using data from the literature. Argues that differences between the diagrams give rise to new chemical insights. (Author/MM)
Catani, S; Soper, Davison Eugene; Stirling, William James; Tapprogge, Stefan; Alekhin, S I; Aurenche, Patrick; Balázs, C; Ball, R D; Battistoni, G; Berger, E L; Binoth, T; Brock, R L; Casey, D; Corcella, Gennaro; Del Duca, V; Fabbro, A D; de Roeck, A; Ewerz, C; de Florian, D; Fontannaz, M; Frixione, Stefano; Giele, W T; Grazzini, Massimiliano; Guillet, J P; Marlen-Heinrich, G; Huston, J; Kalk, J; Kataev, A L; Kato, K; Keller, S; Klasen, M; Kosower, D A; Kulesza, A; Kunszt, Zoltán; Kupco, A; Ilyin, V A; Magnea, L; Mangano, Michelangelo L; Martin, A D; Mazumdar, K; Miné, P; Moretti, M; van Neerven, W L; Parente, G; Perret-Gallix, D; Pilon, E; Pukhov, A E; Puljak, I; Pumplin, Jon; Richter-Was, Elzbieta; Roberts, R G; Salam, Gavin P; Seymour, Michael H; Skachkov, N B; Sidorov, A V; Stenzel, H; Stump, D R; Thorne, R S; Treleani, D; Tung, W K; Vogt, A; Webber, Bryan R; Werlen, M; Zmouchko, S; Mine, Ph.
2000-01-01
We discuss issues of QCD at the LHC including parton distributions, Monte Carlo event generators, the available next-to-leading order calculations, resummation, photon production, small x physics, double parton scattering, and backgrounds to Higgs production.
QCD phase transitions via a refined truncation of Dyson-Schwinger equations
Gao, Fei
2016-01-01
We investigate both the chiral and deconfinement phase transitions of QCD matter in a refined scheme of Dyson-Schwinger equations, which have been shown to be successful in giving the meson mass spectrum and matching the interaction with the results from ab initio computation. We verify the equivalence of the chiral susceptibility criterion with different definitions for the susceptibility and confirm that the chiral susceptibility criterion is efficient to fix not only the chiral phase boundary but also the critical end point (CEP), especially when one could not have the effective thermodynamical potential. We propose a generalized Schwinger function criterion for the confinement. We give the phase diagram of both phase transitions and show that in the refined scheme the position of the CEP shifts to lower chemical potential and higher temperature. Based on our calculation and previous results of the chemical freeze out conditions, we propose that the CEP locates in the states of the matter generated by the ...
Phase diagrams and kinetics of phase transitions in protein solutions.
Vekilov, Peter G
2012-05-16
The phase behavior of proteins is of interest for fundamental and practical reasons. The nucleation of new phases is one of the last major unresolved problems of nature. The formation of protein condensed phases (crystals, polymers, and other solid aggregates, as well as dense liquids and gels) underlies pathological conditions, plays a crucial role in the biological function of the respective protein, or is an essential part of laboratory and industrial processes. In this review, we focus on phase transitions of proteins in their properly folded state. We first summarize the recently acquired understanding of physical processes underlying the phase diagrams of the protein solutions and the thermodynamics of protein phase transitions. Then we review recent findings on the kinetics of nucleation of dense liquid droplets and crystals. We explore the transition from nucleation to spinodal decomposition for liquid-liquid separation and introduce the new concept of solution-to-crystal spinodal. We review the two-step mechanism of protein crystal nucleation, in which mesoscopic metastable protein clusters serve as precursors to the ordered crystal nuclei. The concepts and mechanisms reviewed here provide powerful tools for control of the nucleation process by varying the solution thermodynamic parameters.
Equations of State and Phase Diagrams of Ammonia
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…
Vector interaction strength in Polyakov-Nambu-Jona-Lasinio models from hadron-quark phase diagrams
Lourenço, O; Frederico, T; Delfino, A; Malheiro, M
2012-01-01
We estimate the vector interaction strength of the Polyakov-Nambu-Jona-Lasinio (PNJL) parametrizations, assuming that its transition curves should be as close as possible of the recently studied RMF-PNJL hadron-quark phase diagrams. Such diagrams are obtained matching relativistic mean-field hadronic models, and the PNJL quark ones. By using this method we found for the magnitude of the vector interaction, often treated as a free parameter, a range of 7.66 GeV$^{-2}\\lesssim G_V \\lesssim 16.13$ GeV$^{-2}$, or equivalently, $1.52 \\lesssim G_V/G_s \\lesssim 3.2$, with $G_s$ being the scalar coupling constant of the model. These values are compatible but restricts the range of 4 GeV$^{-2}\\lesssim G_V \\lesssim 19$ GeV$^{-2}$, recently obtained from lattice QCD data through a different mean-field model approach.
Phase diagrams of binary mixtures of oppositely charged colloids.
Bier, Markus; van Roij, René; Dijkstra, Marjolein
2010-09-28
Phase diagrams of binary mixtures of oppositely charged colloids are calculated theoretically. The proposed mean-field-like formalism interpolates between the limits of a hard-sphere system at high temperatures and the colloidal crystals which minimize Madelung-like energy sums at low temperatures. Comparison with computer simulations of an equimolar mixture of oppositely charged, equally sized spheres indicate semiquantitative accuracy of the proposed formalism. We calculate global phase diagrams of binary mixtures of equally sized spheres with opposite charges and equal charge magnitude in terms of temperature, pressure, and composition. The influence of the screening of the Coulomb interaction upon the topology of the phase diagram is discussed. Insight into the topology of the global phase diagram as a function of the system parameters leads to predictions on the preparation conditions for specific binary colloidal crystals.
Phase diagrams of binary crystalline-crystalline polymer blends.
Matkar, Rushikesh A; Kyu, Thein
2006-08-17
A thermodynamically self-consistent theory has been developed to establish binary phase diagrams for two-crystalline polymer blends by taking into consideration all interactions including amorphous-amorphous, crystal-amorphous, amorphous-crystal, and crystal-crystal interactions. The present theory basically involves combination of the Flory-Huggins free energy for amorphous-amorphous isotropic mixing and the Landau free energy of polymer solidification (e.g., crystallization) of the crystalline constituents. The self-consistent solution via minimization of the free energy of the mixture affords determination of eutectic, peritectic, and azeotrope phase diagrams involving various coexistence regions such as liquid-liquid, liquid-solid, and solid-solid coexistence regions bound by liquidus and solidus lines. To validate the present theory, the predicted eutectic phase diagrams have been compared with the reported experimental binary phase diagrams of blends such as polyethylene fractions as well as polycaprolactone/trioxane mixtures.
A dialogue about protein crystallization and phase diagrams.
Asherie, Neer
2012-07-01
A lighthearted researcher and a disheartened student discuss the challenges of protein crystallization and how phase diagrams can be used to address these challenges. The student feels a little better afterwards, but many proteins remain uncrystallized.
Phase Diagram for Ashkin-Teller Model on Bethe Lattice
Institute of Scientific and Technical Information of China (English)
LE Jian-Xin; YANG Zhan-Ru
2005-01-01
Using the recursion method, we study the phase transitions of the Ashkin-Teller model on the Bethe lattice,restricting ourselves to the case of ferromagnetic interactions. The isotropic Ashkin-Teller model and the anisotropic one are respectively investigated, and exact expressions for the free energy and the magnetization are obtained. It can be found that each of the three varieties of phase diagrams, for the anisotropic Ashkin-Teller model, consists of four phases, I.e., the fully disordered paramagnetic phase Para, the fully ordered ferromagnetic phase Ferro, and two partially ordered ferromagnetic phases and , while the phase diagram, for the isotropic Ashkin-Teller model,contains three phases, I.e., the fully disordered paramagnetic phase Para, the fully ordered ferromagnetic phase Baxter Phase, and the partially ordered ferromagnetic phase .
Phase diagram for a nano-yttria-stabilized zirconia system
DEFF Research Database (Denmark)
Asadikiya, Mohammad; Sabarou, Hooman; Chen, Ming;
2016-01-01
Due to the attractive properties of nanoparticles because of their effective surface area, they have been studied widely. Nano-yttria-stabilized zirconia (n-YSZ) is a ceramic which has been scrutinized extensively in past years. Because of the different stability behavior of n-YSZ in comparison...... with bulk YSZ, a new phase diagram is needed for the n-YSZ system in order to identify stable phases under various conditions. In this study, a phase diagram for the n-YSZ system was provided to determine phase stability ranges at room temperature with respect to particle size and composition....... By applying the CALPHAD approach, a 3-D phase diagram for the n-YSZ system was established in which the stability range of each individual phase can be predicted based on the particle size, composition, and temperature....
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.
Critical Point on the QCD Deconfining Phase Boundary
Srivastava, P K
2012-01-01
Ambiguities regarding the physics and the existence of the critical point (CP) on the QCD phase boundary still exist and the mist regarding the conjectured QCD phase boundary has not yet cleared. In this paper we extend our earlier study where we constructed a deconfining phase boundary using Gibbs' equilibrium conditions after using a quasiparticle equation of state (EOS) for quark gluon plasma (QGP) and an excluded volume EOS for the hadron gas (HG) and find the presence of a critical point on this phase boundary where the first order phase transition terminates. In this paper, we plot the difference in the normalized entropy density ($s/T^{3}$) between HG and QGP phases along the deconfining phase boundary and find that it vanishes at CP. Further we have shown the variation of the square of speed of sound ($c_{s}^{2}$) for the HG and QGP separately and find that the difference ($\\Delta c_{s}^{2}$) between them along the deconfining phase boundary again vanishes at the CP of the boundary. We also plot the v...
Revised Phase Diagram of the Gross-Neveu Model
Thies, M; Thies, Michael; Urlichs, Konrad
2003-01-01
We confirm earlier hints that the conventional phase diagram of the discrete chiral Gross-Neveu model in the large N limit is deficient at non-zero chemical potential. We present the corrected phase diagram constructed in mean field theory. It has three different phases, including a kink-antikink crystal phase. All transitions are second order. The driving mechanism for the new structure of baryonic matter in the Gross-Neveu model is an Overhauser type instability with gap formation at the Fermi surface.
A Finite Temperature Phase Diagram in Rotating Bosonic Optical Lattices
Institute of Scientific and Technical Information of China (English)
HUANG Bei-Bing; WAN Shao-Long
2011-01-01
A finite temperature phase diagram of the rotating Bose-Hubbard model, including the crossover between Mott insulator and the normal state, is derived on the frame of the Gutzwiller mean-field theory. In addition, we calculate the critical temperature of superBuid-normal phase transition.%@@ A finite temperature phase diagram of the rotating Bose-Hubbard model, including the crossover between Mort insulator and the normal state, is derived on the frame of the Gutzwiller mean-field theory.In addition, we calculate the critical temperature of superfluid-normal phase transition.
Interacting Weyl fermions: Phases, phase transitions, and global phase diagram
Roy, Bitan; Goswami, Pallab; Juričić, Vladimir
2017-05-01
We study the effects of short-range interactions on a generalized three-dimensional Weyl semimetal, where the band touching points act as the (anti)monopoles of Abelian Berry curvature of strength n . We show that any local interaction has a negative scaling dimension -2 /n . Consequently, all Weyl semimetals are stable against weak short-range interactions. For sufficiently strong interactions, we demonstrate that the Weyl semimetal either undergoes a first-order transition into a band insulator or a continuous transition into a symmetry breaking phase. A translational symmetry breaking axion insulator and a rotational symmetry breaking semimetal are two prominent candidates for the broken symmetry phase. At the one-loop order, the correlation length exponent for continuous transitions is ν =n /2 , indicating their non-Gaussian nature for any n >1 . We also discuss the scaling of the thermodynamic and transport quantities in general Weyl semimetals as well as inside broken symmetry phases.
Phase diagram studies on the Na-Mo-O system
Gnanasekaran, T.; Mahendran, K. H.; Kutty, K. V. G.; Mathews, C. K.
1989-06-01
The phase diagram of the Na-Mo-O ternary system is of interest in interpreting the behaviour of structural materials in the sodium circuits of fast breeder reactors and sodium-filled heat pipes. Experiments involving heating of sodium oxide with molybdenum metal under vacuum, selective removal of oxygen from polymolybdates by reducing them under hydrogen and confirmation of the coexistence of various phase mixtures were conducted in the temperature range of 673 to 923 K. Phase fields involving molybdenum metal, dioxide of molybdenum and ternary compounds were derived from these results. The ternary phase diagram of the Na-Mo-O system was constructed and isothermal cross sections of the phase diagram are presented.
Interacting Weyl fermions: Phases, phase transitions and global phase diagram
Roy, Bitan; Juricic, Vladimir
2016-01-01
We study the effects of short-range interactions on a generalized three-dimensional Weyl semimetal, where the band touching points act as the (anti)monopoles of Abelian Berry curvature of strength $n$. We show that any local interaction has a \\emph{negative} scaling dimension $-2/n$. Consequently all Weyl semimetals are stable against weak short-range interactions. For sufficiently strong interactions, we demonstrate that the Weyl semimetal either undergoes a first order transition into a band insulator or a continuous transition into a symmetry breaking phase. A translational symmetry breaking axion insulator and a rotational symmetry breaking semimetal are two prominent candidates for the broken symmetry phase. At one loop level, the correlation length exponent for continuous transitions is $\
Metastable Al-Sc phase diagram in aluminium rich region
Energy Technology Data Exchange (ETDEWEB)
Drits, M.E.; Toropova, L.S.; Bykov, Yu.G.; Gushchina, F.L.; Elagin, V.I.; Filatov, Yu.A.
1982-12-01
An aluminium rich part of binary metastable phase diagram Al-Sc for 100 deg/s alloy cooling rate under crystallization is studied. Eutectic horizontal in the metastable diagram is 4 deg lower as compared to the equilibrium one, scandium concentration in the eutectic point makes up approximately 0.8%, the maximum solubility is 0.6%. Maximum cast grain refining in aluminium under crystallization at the rate of 100 deg/s is attained at 0.6% scandium content.
Ternary phase diagram calculations of pentaerythritol-pentaglycerine-neopentylglycol system
Energy Technology Data Exchange (ETDEWEB)
Mishra, A.; Talekar, A. [Chemical and Materials Engineering Department (MS388), University of Nevada, Reno, NV 89557 (United States); Chandra, D., E-mail: dchandra@unr.edu [Chemical and Materials Engineering Department (MS388), University of Nevada, Reno, NV 89557 (United States); Chien, W.-M. [Chemical and Materials Engineering Department (MS388), University of Nevada, Reno, NV 89557 (United States)
2012-05-10
Highlights: Black-Right-Pointing-Pointer Ternary phase diagrams of polyalcohols are developed using the CALPHAD method. Black-Right-Pointing-Pointer These ternary phase diagrams are thermodynamically calculated for the first time. Black-Right-Pointing-Pointer Orientational disorder is observed in the high temperature (energy storage) phase. Black-Right-Pointing-Pointer Polyalcohols are potential thermal energy storage materials. - Abstract: The pentaerythritol (PE)-pentaglycerine (PG)-neopentylglycol (NPG) ternary system has been thermodynamically assessed using the CALPHAD method and Thermo-Calc software. The PE-PG, PG-NPG, PE-NPG binary systems have also been calculated using CALPHAD on the basis of reported binary experimental data. The solution phases are modeled as substitutional solutions, in which the excess Gibbs energies are expressed by the Redlich-Kister-Muggianu polynomial. The PE-NPG binary phase diagram was modeled using Henrian solution model, and the liquid phase was assumed ideal. The PG-NPG system was optimized using regular and sub-regular solution models and show invariant equilibria at 298 K. The PE-NPG binary system was calculated from room temperature to the liquid phase temperatures. The modeled phase diagrams and the experimental data are in good agreement. A set of self consistent thermodynamic parameters formulating the Gibbs energies of various phases in the PE-PG-NPG ternary system are obtained in the present work. Thermodynamic properties, several vertical and isopleth sections have been calculated and are in good agreement with experimental data.
The phase diagram of nuclear and quark matter at high baryon density
Fukushima, Kenji
2013-01-01
We review theoretical approaches to explore the phase diagram of nuclear and quark matter at high baryon density. We first look over the basic properties of quantum chromodynamics (QCD) and address how to describe various states of QCD matter. In our discussions on nuclear matter we cover the relativistic mean-field model, the chiral perturbation theory, and the approximation based on the large-Nc limit where Nc is the number of colors. We then explain the liquid-gas phase transition and the inhomogeneous meson condensation in nuclear matter with emphasis put on the relevance to quark matter. We commence the next part focused on quark matter with the bootstrap model and the Hagedorn temperature. Then we turn to properties associated with chiral symmetry and exposit theoretical descriptions of the chiral phase transition. There emerge some quark-matter counterparts of phenomena seen in nuclear matter such as the liquid-gas phase transition and the inhomogeneous structure of the chiral condensate. The third reg...
Phase diagrams for geoscientists an atlas of the Earth's interior
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.
Universal properties of bulk viscosity near the QCD phase transition
Karsch, F; Tuchin, K
2008-01-01
We extract the bulk viscosity of hot quark-gluon matter in the presence of light quarks from the recent lattice data on the QCD equation of state. For that purpose we extend the sum rule analysis by including the contribution of light quarks. We also discuss the universal properties of bulk viscosity in the vicinity of a second order phase transition, as it might occur in the chiral limit of QCD at fixed strange quark mass and most likely does occur in two-flavor QCD. We point out that a chiral transition in the O(4) universality class at zero baryon density as well as the transition at the chiral critical point which belongs to the Z(2) universality class both lead to the critical behavior of bulk viscosity. In particular, the latter universality class implies the divergence of the bulk viscosity, which may be used as a signature of the critical point. We discuss the physical picture behind the dramatic increase of bulk viscosity seen in our analysis, and devise possible experimental tests of related phenome...
Monte-Carlo study of Dirac semimetals phase diagram
Braguta, V V; Kotov, A Yu; Nikolaev, A A
2016-01-01
In this paper the phase diagram of Dirac semimetals is studied within lattice Monte-Carlo simulation. In particular, we concentrate on the dynamical chiral symmetry breaking which results in semimetal/insulator transition. Using numerical simulation we determined the values of the critical coupling constant of the semimetal/insulator transition for different values of the anisotropy of the Fermi velocity. This measurement allowed us to draw tentative phase diagram for Dirac semimetals. It turns out that within the Dirac model with Coulomb interaction both Na$_3$Bi and Cd$_3$As$_2$ known experimentally to be Dirac semimetals would lie deeply in the insulating region of the phase diagram. It probably shows a decisive role of screening of the interelectron interaction in real materials, similar to the situation in graphene.
Monte Carlo study of Dirac semimetals phase diagram
Braguta, V. V.; Katsnelson, M. I.; Kotov, A. Yu.; Nikolaev, A. A.
2016-11-01
In this paper the phase diagram of Dirac semimetals is studied within a lattice Monte Carlo simulation. In particular, we concentrate on the dynamical chiral symmetry breaking which results in a semimetal-insulator transition. Using numerical simulation, we determine the values of the critical coupling constant of the semimetal-insulator transition for different values of the anisotropy of the Fermi velocity. This measurement allows us to draw a tentative phase diagram for Dirac semimetals. It turns out that within the Dirac model with Coulomb interaction both Na3Bi and Cd3As2 , known experimentally to be Dirac semimetals, would lie deep in the insulating region of the phase diagram. This result probably shows a decisive role of screening of the interelectron interaction in real materials, similar to the situation in graphene.
Phase diagram of SU(2) with 2 flavors of dynamical adjoint quarks
Catterall, Simon; Sannino, Francesco; Schneible, Joe
2008-01-01
We report on numerical simulations of SU(2) lattice gauge theory with two flavors of light dynamical quarks in the adjoint of the gauge group. The dynamics of this theory is thought to be very different from QCD -- the theory exhibiting conformal or near conformal behavior in the infrared. We make a high resolution survey of the phase diagram of this model in the plane of the bare coupling and quark mass on lattices of size 8^3 \\times 16. Our simulations reveal a line of first order phase transitions extending from beta=0 to beta=beta_c \\sim 2.0. For beta > beta_c the line is no longer first order but continues as the locus of minimum meson mass. For beta > 2.0 we observe the critical pion and rho masses to be light, independent of bare coupling and approximately degenerate. We discuss possible interpretations of these observations and corresponding continuum limits.
Sugano, Junpei; Yahiro, Masahiro
2016-01-01
We aim at drawing the hadron-quark phase transition line in the QCD phase diagram by using the two phase model (TPM) in which the entanglement Polyakov-loop extended Nambu--Jona-Lasinio (EPNJL) model with vector-type four-quark interaction is used for the quark phase and the relativistic mean field (RMF) model is for the hadron phase. Reasonable TPM is constructed by using lattice QCD data and neutron star observations as reliable constraints. For the EPNJL model, we determine the strength of vector-type four-quark interaction at zero quark chemical potential from lattice QCD data on quark number density normalized by its Stefan-Boltzmann limit. For the hadron phase, we consider three RMF models, NL3, TM1 and model proposed by Maruyama, Tatsumi, Endo and Chiba (MTEC). We find that MTEC is most consistent with the neutron star observations and TM1 is the second best. Assuming that the hadron-quark phase transition occurs in the core of neutron star, we explore the density-dependence of vector-type four-quark i...
Progress in vacuum susceptibilities and their applications to the chiral phase transition of QCD
Cui, Zhu-Fang; Shi, Yuan-Mei; Wang, Yong-Long; Zong, Hong-Shi
2015-01-01
The QCD vacuum condensates and various vacuum susceptibilities are all important parameters which characterize the nonperturbative properties of the QCD vacuum. In the QCD sum rules external field formula, various QCD vacuum susceptibilities play important roles in determining the properties of hadrons. In this paper, we review the recent progress in studies of vacuum susceptibilities together with their applications to the chiral phase transition of QCD. The results of the tensor, the vector, the axial-vector, the scalar, and the pseudo-scalar vacuum susceptibilities are shown in detail in the framework of Dyson-Schwinger equations.
Progress in vacuum susceptibilities and their applications to the chiral phase transition of QCD
Energy Technology Data Exchange (ETDEWEB)
Cui, Zhu-Fang, E-mail: phycui@nju.edu.cn [Department of Physics, Nanjing University, Nanjing 210093 (China); State Key Laboratory of Theoretical Physics, Institute of Theoretical Physics, CAS, Beijing, 100190 (China); Hou, Feng-Yao [Institute of Theoretical Physics, CAS, Beijing 100190 (China); State Key Laboratory of Theoretical Physics, Institute of Theoretical Physics, CAS, Beijing, 100190 (China); Shi, Yuan-Mei [Department of Physics, Nanjing University, Nanjing 210093 (China); Department of Physics and Electronic Engineering, Nanjing Xiaozhuang University, Nanjing 211171 (China); State Key Laboratory of Theoretical Physics, Institute of Theoretical Physics, CAS, Beijing, 100190 (China); Wang, Yong-Long [Department of Physics, Nanjing University, Nanjing 210093 (China); Department of Physics, School of Science, Linyi University, Linyi 276005 (China); Zong, Hong-Shi, E-mail: zonghs@nju.edu.cn [Department of Physics, Nanjing University, Nanjing 210093 (China); Joint Center for Particle, Nuclear Physics and Cosmology, Nanjing 210093 (China); State Key Laboratory of Theoretical Physics, Institute of Theoretical Physics, CAS, Beijing, 100190 (China)
2015-07-15
The QCD vacuum condensates and various vacuum susceptibilities are all important parameters which characterize the nonperturbative properties of the QCD vacuum. In the QCD sum rules external field formula, various QCD vacuum susceptibilities play important roles in determining the properties of hadrons. In this paper, we review the recent progress in studies of vacuum susceptibilities together with their applications to the chiral phase transition of QCD. The results of the tensor, the vector, the axial–vector, the scalar, and the pseudo-scalar vacuum susceptibilities are shown in detail in the framework of Dyson–Schwinger equations.
CALPHAD (calculation of phase diagrams) a comprehensive guide
Saunders, N
1998-01-01
This monograph acts as a benchmark to current achievements in the field of Computer Coupling of Phase Diagrams and Thermochemistry, often called CALPHAD which is an acronym for Computer CALculation of PHAse Diagrams. It also acts as a guide to both the basic background of the subject area and the cutting edge of the topic, combining comprehensive discussions of the underlying physical principles of the CALPHAD method with detailed descriptions of their application to real complex multi-component materials. Approaches which combine both thermodynamic and kinetic models to interpret non-equilibr
Phase diagram of epidemic spreading - unimodal vs. bimodal probability distributions
Lancic, Alen; Sikic, Mile; Stefancic, Hrvoje
2009-01-01
The disease spreading on complex networks is studied in SIR model. Simulations on empirical complex networks reveal two specific regimes of disease spreading: local containment and epidemic outbreak. The variables measuring the extent of disease spreading are in general characterized by a bimodal probability distribution. Phase diagrams of disease spreading for empirical complex networks are introduced. A theoretical model of disease spreading on m-ary tree is investigated both analytically and in simulations. It is shown that the model reproduces qualitative features of phase diagrams of disease spreading observed in empirical complex networks. The role of tree-like structure of complex networks in disease spreading is discussed.
Invariants in the Yukawa system’s thermodynamic phase diagram
DEFF Research Database (Denmark)
Veldhorst, Arno; Schrøder, Thomas; Dyre, Jeppe C.
2015-01-01
phase diagram deriving from the fact that they have curves (isomorphs) along which structure and dynamics in reduced units are invariant to a good approximation. We show that the Yukawa system has strong virial potential-energy correlations and identify its isomorphs by two different methods. One method...... of a known approximate analytical expression for this line in the temperature-density phase diagram. The paper's results give the first demonstration that the isomorph theory can be applied to systems like dense colloidal suspensions and strongly coupled dusty plasmas...
Instabilities near the QCD phase transition in the holographic models
Gursoy, Umut; Shuryak, Edward
2013-01-01
The paper discusses phenomena close to the critical QCD temperature, using the holographic model. One issue studied is the overcooled high-T phase, in which we calculate quasi normal sound modes. We do not find instabilities associated with other first order phase transitions, but nevertheless observe drastic changes in sound propagation/dissipation. The rest of the paper considers a cluster of the high-T phase in the UV in coexistence with the low-T phase, in a simplified ansatz in which the wall separating them is positioned only in the holographic coordinate. This allows to find the force on the wall and classical motion of the cluster. When classical motion is forbidden, we evaluate tunneling probability through the remaining barrier.
Phase diagram of anisotropic boson t-J model
Boninsegni, M.; Prokof'ev, N. V.
2007-01-01
We have studied by Quantum Monte Carlo simulations the low temperature phase diagram of a mixture of isotopic, hard core bosons, described by the t-Jz-Jperp model, with Jperp=a Jz. Coexistence of superfluid hole-rich and insulating, antiferromagnetically ordered hole-free phases is observed at sufficiently low hole density, for any a < 1. A two-component checkerboard supersolid phase is not observed. The experimental relevance and possible broader implications of these findings are discussed.
Global phase diagram of a dirty Weyl semimetal
Roy, Bitan; Juricic, Vladimir
2016-01-01
We here theoretically study the global phase diagram of a three-dimensional dirty Weyl system. The generalized Harris criterion, augmented by a perturbative renormalization-group (RG) analysis shows that weak disorder is an irrelevant perturbation at the Weyl semimetal(WSM)-insulator quantum critical point (QCP). But, a metallic phase sets in through a quantum phase transition (QPT) at strong disorder across a multicritical point, characterized by the correlation length exponent $\
Phase diagram of a model of the protein amelogenin
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.
Phase shifts of the paired wings of butterfly diagrams
Institute of Scientific and Technical Information of China (English)
Ke-Jun Li; Hong-Fei Liang; Wen Feng
2010-01-01
Sunspot groups observed by the Royal Greenwich Observatory/US Air Force/NOAA from 1874 May to 2008 November and the Carte Synoptique solar filaments from 1919 March to 1989 December are used to investigate the relative phase shift of the paired wings of butterfly diagrams of sunspot and filament activities.Latitudinal migration of sunspot groups(or filaments)does asynchronously occur in the northern and southern hemispheres,and there is a relative phase shift between the paired wings of their butterfly diagrams in a cycle,making the paired wings spatially asymmetrical on the solar equator.It is inferred that hemispherical solar activity strength should evolve in a similar way within the paired wings of a butterfly diagram in a cycle,demonstrating the paired wings phenomenon and showing the phase relationship between the northern and southern hemispherical solar activity strengths,as well as a relative phase shift between the paired wings of a butterfly diagram,which should bring about almost the same relative phase shift of hemispheric solar activity strength.
The Phase Shifts of the Paired Wings of Butterfly Diagrams
Li, Kejun; Feng, Wen
2010-01-01
Sunspot groups observed by Royal Greenwich Observatory/US Air Force/NOAA from May 1874 to November 2008 and the Carte Synoptique solar filaments from March 1919 to December 1989 are used to investigate the relative phase shift of the paired wings of butterfly diagrams of sunspot and filament activities. Latitudinal migration of sunspot groups (or filaments) does asynchronously occur in the northern and southern hemispheres, and there is a relative phase shift between the paired wings of their butterfly diagrams in a cycle, making the paired wings spatially asymmetrical on the solar equator. It is inferred that hemispherical solar activity strength should evolve in a similar way within the paired wings of a butterfly diagram in a cycle, making the paired wings just and only keep the phase relationship between the northern and southern hemispherical solar activity strengths, but a relative phase shift between the paired wings of a butterfly diagram should bring about an almost same relative phase shift of hemis...
Finite density QCD phase transition in the heavy quark region
Saito, H; Kanaya, K; Ohno, H; Ejiri, S; Nakagawa, Y; Hatsuda, T; Umeda, T
2012-01-01
We extend our previous study of the QCD phase structure in the heavy quark region to non-zero chemical potentials. To identify the critical point where the first order deconfining transition terminates, we study an effective potential defined by the probability distribution function of the plaquette and the Polyakov loop. The reweighting technique is shown to be powerful in evaluating the effective potential in a wide range of the plaquette and Polyakov loop expectation values. We adopt the cumulant expansion to overcome the sign problem in the calculation of complex phase of the quark determinant. We find that the method provides us with an intuitive and powerful way to study the phase structure. We estimate the location of the critical point at finite chemical potential in the heavy quark region.
Phase diagram of matrix compressed sensing
Schülke, Christophe; Schniter, Philip; Zdeborová, Lenka
2016-12-01
In the problem of matrix compressed sensing, we aim to recover a low-rank matrix from a few noisy linear measurements. In this contribution, we analyze the asymptotic performance of a Bayes-optimal inference procedure for a model where the matrix to be recovered is a product of random matrices. The results that we obtain using the replica method describe the state evolution of the Parametric Bilinear Generalized Approximate Message Passing (P-BiG-AMP) algorithm, recently introduced in J. T. Parker and P. Schniter [IEEE J. Select. Top. Signal Process. 10, 795 (2016), 10.1109/JSTSP.2016.2539123]. We show the existence of two different types of phase transition and their implications for the solvability of the problem, and we compare the results of our theoretical analysis to the numerical performance reached by P-BiG-AMP. Remarkably, the asymptotic replica equations for matrix compressed sensing are the same as those for a related but formally different problem of matrix factorization.
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.
Phase diagram of a system of hard ellipsoids
Frenkel, D.; Mulder, B.M.; McTaque, J.P.
1984-01-01
The phase diagram of a system of hard ellipsoids of revolution was investigated by means of constant-pressure Monte Carlo simulation. Prolate as well as oblate ellipsoids were considered. The results for the isotherms of the system at several different values of the length-to-breadth ratio are prese
Using Nuclear Magnetic Resonance Spectroscopy for Measuring Ternary Phase Diagrams
Woodworth, Jennifer K.; Terrance, Jacob C.; Hoffmann, Markus M.
2006-01-01
A laboratory experiment is presented for the upper-level undergraduate physical chemistry curriculum in which the ternary phase diagram of water, 1-propanol and n-heptane is measured using proton nuclear magnetic resonance (NMR) spectroscopy. The experiment builds upon basic concepts of NMR spectral analysis, typically taught in the undergraduate…
Computer-Generated Phase Diagrams for Binary Mixtures.
Jolls, Kenneth R.; And Others
1983-01-01
Computer programs that generate projections of thermodynamic phase surfaces through computer graphics were used to produce diagrams representing properties of water and steam and the pressure-volume-temperature behavior of most of the common equations of state. The program, program options emphasizing thermodynamic features of interest, and…
QCD phase transition with chiral quarks and physical quark masses.
Bhattacharya, Tanmoy; Buchoff, Michael I; Christ, Norman H; Ding, H-T; Gupta, Rajan; Jung, Chulwoo; Karsch, F; Lin, Zhongjie; Mawhinney, R D; McGlynn, Greg; Mukherjee, Swagato; Murphy, David; Petreczky, P; Renfrew, Dwight; Schroeder, Chris; Soltz, R A; Vranas, P M; Yin, Hantao
2014-08-22
We report on the first lattice calculation of the QCD phase transition using chiral fermions with physical quark masses. This calculation uses 2+1 quark flavors, spatial volumes between (4 fm)(3) and (11 fm)(3) and temperatures between 139 and 196 MeV. Each temperature is calculated at a single lattice spacing corresponding to a temporal Euclidean extent of N(t) = 8. The disconnected chiral susceptibility, χ(disc) shows a pronounced peak whose position and height depend sensitively on the quark mass. We find no metastability near the peak and a peak height which does not change when a 5 fm spatial extent is increased to 10 fm. Each result is strong evidence that the QCD "phase transition" is not first order but a continuous crossover for m(π) = 135 MeV. The peak location determines a pseudocritical temperature T(c) = 155(1)(8) MeV, in agreement with earlier staggered fermion results. However, the peak height is 50% greater than that suggested by previous staggered results. Chiral SU(2)(L) × SU(2)(R) symmetry is fully restored above 164 MeV, but anomalous U(1)(A) symmetry breaking is nonzero above T(c) and vanishes as T is increased to 196 MeV.
The QCD phase transition with physical-mass, chiral quarks
Bhattacharya, Tanmoy; Christ, Norman H; Ding, H -T; Gupta, Rajan; Jung, Chulwoo; Karsch, F; Lin, Zhongjie; Mawhinney, R D; McGlynn, Greg; Mukherjee, Swagato; Murphy, David; Petreczky, P; Schroeder, Chris; Soltz, R A; Vranas, P M; Yin, Hantao
2014-01-01
We report on the first lattice calculation of the QCD phase transition using chiral fermions at physical values of the quark masses. This calculation uses 2+1 quark flavors, spatial volumes between (4 fm$)^3$ and (11 fm$)^3$ and temperatures between 139 and 196 MeV . Each temperature was calculated using a single lattice spacing corresponding to a temporal Euclidean extent of $N_t=8$. The disconnected chiral susceptibility, $\\chi_{\\rm disc}$ shows a pronounced peak whose position and height depend sensitively on the quark mass. We find no metastability in the region of the peak and a peak height which does not change when a 5 fm spatial extent is increased to 10 fm. Each result is strong evidence that the QCD ``phase transition'' is not first order but a continuous cross-over for $m_\\pi=135$ MeV. The peak location determines a pseudo-critical temperature $T_c = 155(1)(8)$ MeV. Chiral $SU(2)_L\\times SU(2)_R$ symmetry is fully restored above 164 MeV, but anomalous $U(1)_A$ symmetry breaking is non-zero above $T...
Exploring the QCD phase transition in core collapse supernova simulations in spherical symmetry
Fischery, T; Hempelz, M; Pagliaraz, G; Schaffner-Bielichz, J; Mezzacappa, A; Thielemanny, F -K; Liebendorfer, M
2010-01-01
For finite chemical potential effective models of QCD predict a first order phase transition. In favour for the search of such a phase transition in nature, we construct an equation of state for strange quark matter based on the MIT bag model. We apply this equation of state to highly asymmetric core collapse supernova matter with finite temperatures and large baryon densities. The phase transition is constructed using the general Gibbs conditions, which results in an extended coexistence region between the pure hadronic and pure quark phases in the phase diagram, i.e. the mixed phase. The supernovae are simulated via general relativistic radiation hydrodynamics based on three flavor Boltzmann neutrino transport in spherical symmetry. During the dynamical evolution temperatures above 10 MeV, baryon densities above nuclear saturation density and a proton-to-baryon ratio below 0.2 are obtained. At these conditions the phase transition is triggered which leads to a significant softening of the EoS for matter in ...
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.
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.
Magnetic phase diagrams of classical triangular and kagome antiferromagnets.
Gvozdikova, M V; Melchy, P-E; Zhitomirsky, M E
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.
Nonequilibrium phase diagram of the driven-dissipative photonic lattice
Biondi, M; Türeci, H E; Schmidt, S
2016-01-01
We study the nonequilibrium steady state of a driven-dissipative Bose-Hubbard model with Kerr nonlinearity. Employing a mean-field decoupling for the intercavity hopping $J$, we find that the crossover between low and high photon-number states inherited from the single cavity transforms into a gas--liquid bistability at large $J$. We determine the boundary separating smooth and sharp gas--liquid transitions in the $\\Delta$--$J$ diagram, where the detuning $\\Delta$ relates to the liquid-phase photon density, and find that it exhibits a lobe structure strikingly reminiscent of the phase boundary in the equilibrium phase diagram of the Bose-Hubbard model. Going beyond mean-field, we characterize the bulk phases and the transition region by their compressibility and pair-correlations.
Phase diagram of a bulk 1d lattice Coulomb gas
Démery, V.; Monsarrat, R.; Dean, D. S.; Podgornik, R.
2016-01-01
The exact solution, via transfer matrix, of the simple one-dimensional lattice Coulomb gas (1d LCG) model can reproduce peculiar features of ionic liquid capacitors, such as overscreening, layering, and camel- and bell-shaped capacitance curves. Using the same transfer matrix method, we now compute the bulk properties of the 1d LCG in the constant voltage ensemble. We unveil a phase diagram with rich structure exhibiting low-density disordered and high-density ordered phases, separated by a first-order phase transition at low temperature; the solid state at full packing can be ordered or not, depending on the temperature. This phase diagram, which is strikingly similar to its three-dimensional counterpart, also sheds light on the behaviour of the confined system.
"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.
Recent progress in backreacted bottom-up holographic QCD
Energy Technology Data Exchange (ETDEWEB)
Järvinen, Matti [Laboratoire de Physique Théorique, École Normale Supérieure, 24 rue Lhomond, 75231 Paris Cedex 05 (France)
2016-01-22
Recent progress in constructing holographic models for QCD is discussed, concentrating on the bottom-up models which implement holographically the renormalization group flow of QCD. The dynamics of gluons can be modeled by using a string-inspired model termed improved holographic QCD, and flavor can be added by introducing space filling branes in this model. The flavor fully backreacts to the glue in the Veneziano limit, giving rise to a class of models which are called V-QCD. The phase diagrams and spectra of V-QCD are in good agreement with results for QCD obtained by other methods.
The phase diagram of water at negative pressures: virtual ices.
Conde, M M; Vega, C; Tribello, G A; Slater, B
2009-07-21
The phase diagram of water at negative pressures as obtained from computer simulations for two models of water, TIP4P/2005 and TIP5P is presented. Several solid structures with lower densities than ice Ih, so-called virtual ices, were considered as possible candidates to occupy the negative pressure region of the phase diagram of water. In particular the empty hydrate structures sI, sII, and sH and another, recently proposed, low-density ice structure. The relative stabilities of these structures at 0 K was determined using empirical water potentials and density functional theory calculations. By performing free energy calculations and Gibbs-Duhem integration the phase diagram of TIP4P/2005 was determined at negative pressures. The empty hydrates sII and sH appear to be the stable solid phases of water at negative pressures. The phase boundary between ice Ih and sII clathrate occurs at moderate negative pressures, while at large negative pressures sH becomes the most stable phase. This behavior is in reasonable agreement with what is observed in density functional theory calculations.
Experimental determination of the Ta–Ge phase diagram
Energy Technology Data Exchange (ETDEWEB)
Araújo Pinto da Silva, Antonio Augusto, E-mail: aaaps@ppgem.eel.usp.br [EEL/USP – Escola de Engenharia de Lorena (EEL), Universidade de São Paulo (USP), Pólo Urbo-Industrial Gleba AI-6, 12602-810 Lorena, SP (Brazil); Coelho, Gilberto Carvalho [EEL/USP – Escola de Engenharia de Lorena (EEL), Universidade de São Paulo (USP), Pólo Urbo-Industrial Gleba AI-6, 12602-810 Lorena, SP (Brazil); UniFoa – Centro Universitário de Volta Redonda, Núcleo de Pesquisa, Campus Três Poços, Avenida Paulo Erlei Alves Abrantes, 1325, Bairro Três Poços, 27240-560 Volta Redonda, RJ (Brazil); Nunes, Carlos Angelo; Suzuki, Paulo Atsushi [EEL/USP – Escola de Engenharia de Lorena (EEL), Universidade de São Paulo (USP), Pólo Urbo-Industrial Gleba AI-6, 12602-810 Lorena, SP (Brazil); Fiorani, Jean Marc; David, Nicolas; Vilasi, Michel [Université de Lorraine, Institut Jean Lamour, Faculté des Sciences et Technologies, BP 70239, F-54506 Vandoeuvre-lès-Nancy (France)
2013-11-05
Highlights: •Ta–Ge phase diagram propose for the first time. •The phase αTa{sub 5}Ge{sub 3} was not observed in samples investigated in this work. •Three eutectics reactions where determined with the liquid compositions at 20.5; 28.0; 97.0 at.% Ge. -- Abstract: In the present work, the Ta–Ge phase diagram has been experimentally studied, considering the inexistence of a Ta–Ge phase diagram in the literature. The samples were prepared via arc melting and characterized by Scanning Electron Microscopy (SEM), Energy Dispersive Spectroscopy (EDS) and X-ray Diffraction (XRD). The intermetallics phases βTa{sub 3}Ge, αTa{sub 3}Ge, βTa{sub 5}Ge{sub 3} and TaGe{sub 2} where confirmed in this system. Three eutectics reactions where determined with the liquid compositions at 20.5; 28.0; 97.0 at.% Ge. The phases βTa{sub 3}Ge and βTa{sub 5}Ge{sub 3} solidifies congruently while TaGe{sub 2} is formed through a peritectic transformation. The temperature of the Ta-rich eutectic (L ↔ Ta{sub ss} + βTa{sub 3}Ge) was measured by the Pirani-Alterthum method at 2440 °C and the Ge-rich eutectic (L ↔ TaGe{sub 2} + Ge{sub ss}) by DTA at 937 °C.
Dynamical phase diagram of Gaussian wave packets in optical lattices
Hennig, H.; Neff, T.; Fleischmann, R.
2016-03-01
We study the dynamics of self-trapping in Bose-Einstein condensates (BECs) loaded in deep optical lattices with Gaussian initial conditions, when the dynamics is well described by the discrete nonlinear Schrödinger equation (DNLSE). In the literature an approximate dynamical phase diagram based on a variational approach was introduced to distinguish different dynamical regimes: diffusion, self-trapping, and moving breathers. However, we find that the actual DNLSE dynamics shows a completely different diagram than the variational prediction. We calculate numerically a detailed dynamical phase diagram accurately describing the different dynamical regimes. It exhibits a complex structure that can readily be tested in current experiments in BECs in optical lattices and in optical waveguide arrays. Moreover, we derive an explicit theoretical estimate for the transition to self-trapping in excellent agreement with our numerical findings, which may be a valuable guide as well for future studies on a quantum dynamical phase diagram based on the Bose-Hubbard Hamiltonian.
Disorienting the Chiral Condensate at the QCD Phase Transition
Rajagopal, K
1997-01-01
I sketch how long wavelength modes of the pion field can be amplified during the QCD phase transition. If nature had been kinder, and had made the pion mass significantly less than the critical temperature for the transition, then this phenomenon would have characterized the transition in thermal equilibrium. Instead, these long wavelength oscillations of the orientation of the chiral condensate can only arise out of equilibrium. There is a simple non-equilibrium mechanism, plausibly operational during heavy ion collisions, which naturally amplifies these oscillations. The characteristic signature of this phenomenon is large fluctuations in the ratio of the number of neutral pions to the total number of pions in regions of momentum space, that is in phase space in a detector. Detection in a heavy ion collision would imply an out of equilbrium chiral transition.
QCD deconfinement phase transitions and collapsing quark stars
Bednarek, I; Manka, R; Bednarek, Ilona; Biesiada, Marek; Manka, Ryszard
1996-01-01
In this paper we discuss the QCD phase-transitions in the nontopological soliton model of quark confinement and explore possible astrophysical consequences. Our key idea is to look at quark stars (which are believed to exist since the quark matter is energetically preferred over the ordinary matter) from the point of view of soliton model. We propose that the phase transition taking place during the core collapse of massive evolved star may provide a new physical effect not taken into account in modeling the supernova explosions. We also point out the possibility that merging quark stars may produce gamma-ray bursts energetic enough to be at cosmological distances. Our idea based on the finite-temperature nontopologiocal soliton model overcomes major difficulties present in neutron star merger scenario --- the baryon loading problem and nonthermal spectra of the bursts.
Complete Phase Diagrams for a Holographic Superconductor/Insulator System
Horowitz, Gary T
2010-01-01
The gravitational dual of an insulator/superconductor transition driven by increasing the chemical potential has recently been constructed. However, the system was studied in a probe limit and only a part of the phase diagram was obtained. We include the backreaction and construct the complete phase diagram for this system. For fixed chemical potential there are typically two phase transitions as the temperature is lowered. Surprisingly, for a certain range of parameters, the system first becomes a superconductor and then becomes an insulator as the temperature approaches zero. As a byproduct of our analysis, we also construct the gravitational dual of a Bose-Einstein condensate of glueballs in a confining gauge theory.
Phase diagram of Mo at high pressure and temperature
Energy Technology Data Exchange (ETDEWEB)
Ross, M
2008-10-01
We report values of the Poisson Ratios for shock compressed Mo, calculated from the sound speed measurements, which provide evidence that the 210 GPa ({approx}4100K) transition cannot be a bcc-hcp transition, as originally proposed. Instead, we find the transition is from the bcc to a noncrystalline phase. For pressures above 210 GPa, the Poisson Ratio increases steadily with increasing temperature, approaching the liquid value of 0.5 at 390 GPa({approx}10,000K), suggesting the presence of a noncrystalline solid-liquid mixture. Free energy model calculations were used to show that the low melting slope of Mo, and the phase diagram, can be explained by the presence of local liquid structures. A new phase diagram is proposed for Mo that is constrained by the experimental evidence.
Si-Ge-metal ternary phase diagram calculations
Fleurial, J. P.; Borshchevsky, A.
1990-01-01
Solution crystal growth and doping conditions of Si-Ge alloys used for high-temperature thermoelectric generation are determined here. Liquid-phase epitaxy (LPE) has been successfully employed recently to obtain single-crystalline homogeneous layers of Si-Ge solid solutions from a liquid metal solvent. Knowledge of Si-Ge-metallic solvent ternary phase diagrams is essential for further single-crystal growth development. Consequently, a thermodynamic equilibrium model was used to calculate the phase diagrams of the Si-Ge-M systems, including solid solubilities, where M is Al, Ga, In, Sn, Pb, Sb, or Bi. Good agreement between calculated liquidus and solidus data and experimental DTA and microprobe results was obtained. The results are used to compare the suitability of the different systems for crystal growth (by LPE-type process).
Evaluation of self-interaction parameters from binary phase diagrams
Energy Technology Data Exchange (ETDEWEB)
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.
Mapping Isobaric Aging onto the Equilibrium Phase Diagram
Niss, Kristine
2017-09-01
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.
Phase diagrams of nanoalloys: influence of size and morphology.
Berthier, F; Maras, E; Legrand, B
2015-11-14
The size dependence of the phase diagram of nanoalloys with a tendency to phase separate is investigated. As the critical temperature may depend on both the size and the morphology of the nanoparticles, we consider nanowires with different cross-sections and also nanotubes with different circumferences. The variation of the critical temperature with the length of all these nanoparticles is systematically studied using Monte Carlo simulations based on an Ising model. A non-monotonic variation of the critical temperature is observed as a function of the length. The maximal value of the critical temperature is reached when the length and the circumference of the nanoparticles are similar. The phase diagrams obtained within two thermodynamic ensembles (the canonical ensemble and the pseudo grand canonical ensemble) are compared and discussed in terms of the behaviour of a single particle or an assembly of nanoparticles in mutual equilibrium with each other.
Microcanonical Phase Diagram of the BEG and Ising Models
Institute of Scientific and Technical Information of China (English)
李粮生; 郑宁; 史庆藩
2012-01-01
The density of states of long-range Blume-Emery-Criffiths （BEG） and short-range lsing models are obtained by using Wang-Landau sampling with adaptive windows in energy and magnetization space. With accurate density of states, we are able to calculate the mierocanonical specific heat of fixed magnetization introduced by Kastner et al. in the regions of positive and negative temperature. The microcanonical phase diagram of the Ising model shows a continuous phase transition at a negative temperature in energy and magnetization plane. However the phase diagram of the long-range model constructed by peaks of the microeanonieal specific heat looks obviously different from the Ising chart.
Poly(N-isopropylacrylamide) Phase Diagrams: Fifty Years of Research.
Halperin, Avraham; Kröger, Martin; Winnik, Françoise M
2015-12-14
In 1968, Heskins and Guillet published the first systematic study of the phase diagram of poly(N-isopropylacrylamide) (PNIPAM), at the time a "young polymer" first synthesized in 1956. Since then, PNIPAM became the leading member of the growing families of thermoresponsive polymers and of stimuli-responsive, "smart" polymers in general. Its thermal response is unanimously attributed to its phase behavior. Yet, in spite of 50 years of research, a coherent quantitative picture remains elusive. In this Review we survey the reported phase diagrams, discuss the differences and comment on theoretical ideas regarding their possible origins. We aim to alert the PNIPAM community to open questions in this reputably mature domain.
Phase Diagrams of Electric-Fduced Aggregation in Conducting Colloids
Khusid, B.; Acrivos, A.
1999-01-01
Under the application of a sufficiently strong electric field, a suspension may undergo reversible phase transitions from a homogeneous random arrangement of particles into a variety of ordered aggregation patterns. The surprising fact about electric-field driven phase transitions is that the aggregation patterns, that are observed in very diverse systems of colloids, display a number of common structural features and modes of evolution thereby implying that a universal mechanism may exist to account for these phenomena. It is now generally believed that this mechanism emanates from the presence of the long-range anisotropic interactions between colloidal particles due to their polarization in an applied field. But, in spite of numerous applications of the electric-field-driven phenomena in biotechnology, separation, materials engineering, chemical analysis, etc. our understanding of these phenomena is far from complete. Thus, it is the purpose of the proposed research to develop a theory and then test experimentally, under normal- and low-gravity conditions, the accuracy of the theoretical predictions regarding the effect of the synergism of the interparticle electric and hydrodynamic interactions on the phase diagram of a suspension. The main results from our theoretical studies performed to-date enable one to trace how the variations of the electrical properties of the constituent materials influence the topology of the suspension phase diagram and then, by using an appropriate phase diagram, to evaluate how the electric-field-induced transformations will depend on the frequency and the strength of the applied field.
Thermal fluctuations and phase diagrams of the phase-field crystal model with pinning.
Ramos, J A P; Granato, E; Achim, C V; Ying, S C; Elder, K R; Ala-Nissila, T
2008-09-01
We study the influence of thermal fluctuations in the phase diagram of a recently introduced two-dimensional phase field crystal model with an external pinning potential. The model provides a continuum description of pinned lattice systems allowing for both elastic deformations and topological defects. We introduce a nonconserved version of the model and determine the ground-state phase diagram as a function of lattice mismatch and strength of the pinning potential. Monte Carlo simulations are used to determine the phase diagram as a function of temperature near commensurate phases. The results show a rich phase diagram with commensurate, incommensurate, and liquidlike phases with a topology strongly dependent on the type of ordered structure. A finite-size scaling analysis of the melting transition for the c(2x2) commensurate phase shows that the thermal correlation length exponent nu and specific heat behavior are consistent with the Ising universality class as expected from analytical arguments.
Thermodynamics of strong-interaction matter from Lattice QCD
Ding, Heng-Tong; Mukherjee, Swagato
2015-01-01
We review results from lattice QCD calculations on the thermodynamics of strong-interaction matter with emphasis on input these calculations can provide to the exploration of the phase diagram and properties of hot and dense matter created in heavy ion experiments. This review is organized as follows: 1) Introduction, 2) QCD thermodynamics on the lattice, 3) QCD phase diagram at high temperature, 4) Bulk thermodynamics, 5) Fluctuations of conserved charges, 6) Transport properties, 7) Open heavy flavors and heavy quarkonia, 8) QCD in external magnetic fields, 9) Summary.
Phase transitions in strongly interacting quantum field theories. QED{sub 3} vs. QCD
Energy Technology Data Exchange (ETDEWEB)
Bonnet, J.A.
2013-07-15
In this thesis, we investigate strongly coupled quantum field theories on the examples of (2+1) dimensional Quantumelectrodynamics (QED{sub 3}) and (3+1) dimensional Quantum Chromodynamics (QCD) in the framework of Dyson-Schwinger equations. We firstly focus on the chiral phase transition in QED{sub 3} as a low-energy effective theory for high-temperature superconductors. These materials are inherently anisotropic, as shown by experiments. We therefore focus on the influence of an anisotropic spacetime onto the critical number of fermion flavors for chiral symmetry breaking at zero and finite temperature. The findings are summarized in phase diagrams for the critical number of fermion flavors as a function of the independent anisotropic velocities and temperature. These were the first calculations considering anisotropic QED{sub 3} at finite temperatures. Furthermore, the presented investigations elaborate on the critical scaling behavior close to the merging region of the thermal phase transition line and the quantum phase transition point. The most important results include the finding that anisotropy provides an external parameter that determines the scaling scenario. Secondly, the QCD part of this thesis consists of a feasibility study of the implementation of external magnetic fields into the Dyson-Schwinger formalism. This study serves as a basis for further investigations of e.g. the dynamical mass generation at finite temperatures and densities. This will allow to contribute to the discussions on the phenomenon of (inverse) magnetic catalysis from a functional methods' point of view. Furthermore, we present the first successful extraction of a dressed Wilson loop from Dyson-Schwinger equations. It represents an observable for confinement that was recently introduced in the framework of lattice gauge theory. In addition, its connection with the conventional Wilson loop allows for a direct extraction of the string tension.
A statistical approach to the QCD phase transition --A mystery in the critical temperature
Ishii, N; Ishii, Noriyoshi; Suganuma, Hideo
2002-01-01
We study the QCD phase transition based on the statistical treatment with the bag-model picture of hadrons, and derive a phenomenological relation among the low-lying hadron masses, the hadron sizes and the critical temperature of the QCD phase transition. We apply this phenomenological relation to both full QCD and quenched QCD, and compare these results with the corresponding lattice QCD results. Whereas such a statistical approach works well in full QCD, it results in an extremely large estimate of the critical temperature in quenched QCD, which indicates a serious problem in understanding of the QCD phase transition. This large discrepancy traces back to the fact that enough number of glueballs are not yet thermally excited at the critical temperature T_c \\simeq 280 MeV in quenched QCD due to the extremely small statistical factor as exp(-m_G/T_c) \\simeq 0.00207. This fact itself has a quite general nature independent of the particular choice of the effective model framework. We are thus arrive at a myste...
Global phase diagram of disordered type-II Weyl semimetals
Wu, Yijia; Liu, Haiwen; Jiang, Hua; Xie, X. C.
2017-07-01
With electron and hole pockets touching at the Weyl node, type-II Weyl semimetal is a newly proposed topological state distinct from its type-I cousin. We numerically study the localization effect for tilted type-I as well as type-II Weyl semimetals and give the global phase diagram. For disordered type-I Weyl semimetal, an intermediate three-dimensional quantum anomalous Hall phase is confirmed between Weyl semimetal phase and diffusive metal phase. However, this intermediate phase is absent for disordered type-II Weyl semimetal. Besides, along the direction of tilt, comparing to its type-I cousin, type-II Weyl semimetal typically possesses longer normalized localization length and therefore it is more robust against disorder. Near the phase boundary between the type-I and the type-II Weyl semimetals, infinitesimal disorder will induce an insulating phase so that, in this region, the concept of Weyl semimetal is meaningless for real materials.
Phase diagram of model anisotropic particles with octahedral symmetry
Noya, E. G.; Vega, C.; Doye, J. P. K.; Louis, A. A.
2007-01-01
We computed the phase diagram for a system of model anisotropic particles with six attractive patches in an octahedral arrangement. We chose to study this model for a relatively narrow value of the patch width where the lowest-energy configuration of the system is a simple cubic crystal. At this value of the patch width, there is no stable vapour-liquid phase separation, and there are three other crystalline phases in addition to the simple cubic crystal that is most stable at low pressure. F...
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
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......The magnetic structure of Er with a magnetic field applied in the hexagonal basal plane has been studied using a combination of experimental techniques and mean-field modeling. From neutron-scattering and magnetization measurements, phase diagrams are constructed. At temperatures above...... 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...
Multiple nonergodic disordered states in Laponite suspensions: A phase diagram
Jabbari-Farouji, S.; Tanaka, Hajime; Wegdam, G. H.; Bonn, Daniel
2008-12-01
We study the time evolution of different Laponite suspensions from a low-viscosity ergodic state to a viscoelastic nonergodic state over a wide range of volume fractions and salt contents. We find that the evolution of nonergodicity parameter (Debye-Waller factor) splits into two branches for all the samples, which correspond to two distinct dynamically arrested states. At moderately high salt concentrations, on the other hand, a third nonergodic state appears that is different from the above two nonergodic states. Measurement of the conductivity of Laponite solutions in pure water shows that the contribution of counterions in the ionic strength is considerable and their role should be taken into account in interpretations of aging dynamics and the phase diagram. Based on these data and available data in the literature, we propose a (nonequilibrium) phase diagram for Laponite suspensions.
Phase Diagrams for the PEO-LiX Electrolyte System.
1987-01-01
rather flat, in sharp contrast to previous results. 3.2c PEO- LiBF4 System Pure PEO forms complexes with LiBF , and the subsequent phase diagram for...study; 0 ----NMR(15); 0 -DSC or DTA(7, 10,12); A ---a.c.conductivity(6,10,12); 4- optical microscopy(6). is 350 - (PEO) n- LiBF4 300 (PEO) n-LiCF 3SO 3...the PEO- LiBF4 system IS" , " ATOM RATIO O/Li 50 25 8 4 2 1 250 200 150 1 00 -50I 0 0 0.1 0.2 0.3 0.4 0.5 XLiPF6 -’+’ Figure 6. Phase diagram of the
Phase diagram of hydrogen adsorbed on Ni(111)
Nagai, Kiyoshi; Ohno, Yuichi; Nakamura, Takashi
1984-08-01
The phase diagram for the H/Ni(111) system is calculated by treating a lattice gas on a honeycomb lattice through the position-space renormalization-group theory with prefacing transformation. The following interparticle interactions are considered: (A) nearest-neighbor exclusion, second-neighbor repulsion, and third-neighbor attraction, which was previously proposed by Domany et al.; (B) nearest-neighbor exclusion, second- and third-neighbor repulsions, and further-neighbor interactions up to the sixth-neighbor one. When the interaction parameters involved are suitably adjusted, both the interactions (A) and (B) lead to the phase diagrams in good agreement with the experimental one by Christmann et al. The change of the isosteric heat of hydrogen adsorption with the adsorbed amount is also calculated. The result obtained from interaction (B) is consistent with experiment, whereas that from interaction (A) is not.
Size Dependent Phase Diagrams of Nickel-Carbon Nanoparticles.
Magnin, Y; Zappelli, A; Amara, H; Ducastelle, F; Bichara, C
2015-11-13
The carbon rich phase diagrams of nickel-carbon nanoparticles, relevant to catalysis and catalytic chemical vapor deposition synthesis of carbon nanotubes, are calculated for system sizes up to about 3 nm (807 Ni atoms). A tight binding model for interatomic interactions drives the grand canonical Monte Carlo simulations used to locate solid, core shell and liquid stability domains, as a function of size, temperature, and carbon chemical potential or concentration. Melting is favored by carbon incorporation from the nanoparticle surface, resulting in a strong relative lowering of the eutectic temperature and a phase diagram topology different from the bulk one. This should lead to a better understanding of the nanotube growth mechanisms.
Phase transition in finite density and temperature lattice QCD
Wang, Rui; Gong, Ming; Liu, Chuan; Liu, Yu-Bin; Liu, Zhao-Feng; Ma, Jian-Ping; Meng, Xiang-Fei; Zhang, Jian-Bo
2015-01-01
We investigate the behavior of the chiral condensate in lattice QCD at finite temperature and finite chemical potential. The study was done using two flavors of light quarks and with a series of $\\beta$ and $ma$ at the lattice size $24\\times12^{2}\\times6$. The calculation was done in the Taylar expansion formalism. We are able to calculate the first and second order derivatives of $\\langle\\bar{\\psi}\\psi\\rangle$ in both isoscalar and isovector channels. With the first derivatives being small, we find that the second derivatives are sizable close to the phase transition and the magnitude of $\\bar{\\psi}\\psi$ decreases under the influence of finite chemical potential in both channels.
Gravitational mechanism for baryogenesis in the cosmological QCD phase transition
Antunes, V; Novello, M
2016-01-01
One of the biggest puzzles in modern cosmology is the observed baryon asymmetry in the universe. In current models of baryogenesis gravity plays a secondary role, although the process is believed to have happened in the early universe, under the influence of an intense gravitational field. In the present work we resume Sakharov's original program for baryogenesis and propose a central role for gravity in the process. This is achieved through a non-minimal coupling (NMC) between the gravitational field and both the strong interaction field and the quark fields. When in action, the present mechanism leads to baryon number non-conservation and CP violation. Moreover, the NMC induces reduced effective quark masses, which favours a first order QCD phase transition. As a consequence, a baryon asymmetry can be attained in the transition from the quark epoch to the hadron epoch.
Phase diagram of strong interactions in an external magnetic field
Mizher, Ana Julia; Chernodub, M N
2011-01-01
We obtain the phase diagram of strong interactions in the presence of a magnetic field within the linear sigma model coupled to quarks and to the Polyakov loop, and show that the chiral and deconfinement lines can split. We also study the behavior of the chiral condensate in this magnetic environment and find an approximately linear dependence on the external field, in accordance with lattice data.
Lattice dynamics and phase diagram of aluminum at high temperatures
Energy Technology Data Exchange (ETDEWEB)
Kudasov, Yu. B., E-mail: yu_kudasov@yahoo.com; Surdin, O. M.; Korshunov, A. S.; Pavlov, V. N. [National Research Nuclear University ' MEPhI,' , Sarov State Institute of Physics and Technology (Russian Federation); Frolova, N. V.; Kuzin, R. S. [Russian Federal Nuclear Center-All-Russian Research Institute of Experimental Physics (Russian Federation)
2013-10-15
The dispersion of phonons in the fcc, hcp, and bcc phases of aluminum is calculated at ultrahigh pressures by the method of small displacements in a supercell. The stability of the phonon subsystem is studied. The thermodynamic characteristics are calculated in the quasi-harmonic approximation, and a phase diagram of aluminum is plotted. As compared to the Debye model, the use of a phonon spectrum calculated in the quasi-harmonic approximation significantly broadens the hcp phase field and strongly shifts the phase boundary between the fcc and bcc phases. The normal isentrope is calculated at megabar pressures. It is shown to intersect the fcc-hcp and hcp-bcc phase boundaries. The sound velocity along the normal isentrope is calculated. It is shown to have a nonmonotonic character.
Full Phase Diagram of the Massive Gross-Neveu Model
Schnetz, O; Urlichs, K; Schnetz, Oliver; Thies, Michael; Urlichs, Konrad
2006-01-01
The massive Gross-Neveu model is solved in the large N limit at finite temperature and chemical potential. The scalar potential is given in terms of Jacobi elliptic functions. It contains three parameters which are determined by transcendental equations. Self-consistency of the scalar potential is proved. The phase diagram for non-zero bare quark mass is found to contain a kink-antikink crystal phase as well as a massive fermion gas phase featuring a cross-over from light to heavy effective fermion mass. For zero bare quark mass we recover the three known phases kink-antikink crystal, massless fermion gas, and massive fermion gas. All phase transitions are shown to be of second order. Equations for the phase boundaries are given and solved numerically. Implications on condensed matter physics are indicated where our results generalize the bipolaron lattice in non-degenerate conducting polymers to finite temperature.
Cooling compact stars and phase transitions in dense QCD
Energy Technology Data Exchange (ETDEWEB)
Sedrakian, Armen [J.W. Goethe University, Institute for Theoretical Physics, Frankfurt am Main (Germany)
2016-03-15
We report new simulations of cooling of compact stars containing quark cores and updated fits to the Cas A fast cooling data. Our model is built on the assumption that the transient behaviour of the star in Cas A is due to a phase transition within the dense QCD matter in the core of the star. Specifically, the fast cooling is attributed to an enhancement in the neutrino emission triggered by a transition from a fully gapped, two-flavor, red-green color-superconducting quark condensate to a superconducting crystalline or an alternative gapless, color-superconducting phase. The blue-colored condensate is modeled as a Bardeen-Cooper-Schrieffer (BCS)-type color superconductor with spin-one pairing order parameter. We study the sensitivity of the fits to the phase transition temperature, the pairing gap of blue quarks and the timescale characterizing the phase transition (the latter modelled in terms of a width parameter). Relative variations in these parameter around their best-fit values larger than 10{sup -3} spoil the fit to the data. We confirm the previous finding that the cooling curves show significant variations as a function of compact star mass, which allows one to account for dispersion in the data on the surface temperatures of thermally emitting neutron stars. (orig.)
QCD phase transitions via a refined truncation of Dyson-Schwinger equations
Gao, Fei; Liu, Yu-xin
2016-10-01
We investigate both the chiral and deconfinement phase transitions of QCD matter in a refined scheme of Dyson-Schwinger equations, which have been shown to be successful in giving the meson mass spectrum and matching the interaction with the results from ab initio computation. We verify the equivalence of the chiral susceptibility criterion with different definitions for the susceptibility and confirm that the chiral susceptibility criterion is efficient to fix not only the chiral phase boundary but also the critical end point (CEP), especially when one could not have the effective thermodynamical potential. We propose a generalized Schwinger function criterion for the confinement. We give the phase diagram of both phase transitions and show that in the refined scheme the position of the CEP shifts to lower chemical potential and higher temperature. Based on our calculation and previous results of the chemical freeze-out conditions, we propose that the CEP is located in the states of the matter generated by the Au-Au collisions with √{sN N }=9 - 15 GeV .
Ground-State Phase Diagram of S = 1 Diamond Chains
Hida, Kazuo; Takano, Ken'ichi
2017-03-01
We investigate the ground-state phase diagram of a spin-1 diamond chain. Owing to a series of conservation laws, any eigenstate of this system can be expressed using the eigenstates of finite odd-length chains or infinite chains with spins 1 and 2. The ground state undergoes quantum phase transitions with varying λ, a parameter that controls frustration. Exact upper and lower bounds for the phase boundaries between these phases are obtained. The phase boundaries are determined numerically in the region not explored in a previous work [Takano et al., https://doi.org/10.1088/0953-8984/8/35/009" xlink:type="simple">J. Phys.: Condens. Matter 8, 6405 (1996)].
Phase diagram of hard snowman-shaped particles.
Dennison, Matthew; Milinković, Kristina; Dijkstra, Marjolein
2012-07-28
We present the phase diagram of hard snowman-shaped particles calculated using Monte Carlo simulations and free energy calculations. The snowman particles consist of two hard spheres rigidly attached at their surfaces. We find a rich phase behavior with isotropic, plastic crystal, and aperiodic crystal phases. The crystalline phases found to be stable for a given sphere diameter ratio correspond mostly to the close packed structures predicted for equimolar binary hard-sphere mixtures of the same diameter ratio. However, our results also show several crystal-crystal phase transitions, with structures with a higher degree of degeneracy found to be stable at lower densities, while those with the best packing are found to be stable at higher densities.
Phase diagram and critical end point for strongly interacting quarks.
Qin, Si-xue; Chang, Lei; Chen, Huan; Liu, Yu-xin; Roberts, Craig D
2011-04-29
We introduce a method based on chiral susceptibility, which enables one to draw a phase diagram in the chemical-potential-temperature plane for strongly interacting quarks whose interactions are described by any reasonable gap equation, even if the diagrammatic content of the quark-gluon vertex is unknown. We locate a critical end point at (μ(E),T(E))∼(1.0,0.9)T(c), where T(c) is the critical temperature for chiral-symmetry restoration at μ=0, and find that a domain of phase coexistence opens at the critical end point whose area increases as a confinement length scale grows.
The Phase Diagram of QC2D from Functional Methods
Khan, Naseemuddin; Rennecke, Fabian; Scherer, Michael M
2015-01-01
We study the phase diagram of two-color Quantum Chromodynamics at finite temperature and chemical potential. This is done within an effective low-energy description in terms of quarks, mesons and diquarks. Quantum, thermal and density fluctuations are taken into account with the functional renormalisation group approach. In particular, we establish the phenomenon of pre-condensation, affecting the location of the phase boundary to Bose-Einstein condensation. We also discuss the Silver Blaze property in the context of the functional renormalisation group.
Pitfalls and feedback when constructing topological pressure-temperature phase diagrams
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.
Philipsen, Owe
2016-01-01
The order of the thermal phase transition in the chiral limit of Quantum Chromodynamics (QCD) with two dynamical flavors of quarks is a long-standing issue and still not known in the continuum limit. Whether the transition is first or second order has important implications for the QCD phase diagram and the existence of a critical endpoint at finite densities. We follow a recently proposed approach to explicitly determine the region of first order chiral transitions at imaginary chemical potential, where it is large enough to be simulated, and extrapolate it to zero chemical potential with known critical exponents. Using unimproved Wilson fermions on coarse $N_t=4$ lattices, the first order region turns out to be so large that no extrapolation is necessary. The critical pion mass $m_\\pi^c\\approx 560$ MeV is by nearly a factor 10 larger than the corresponding one using staggered fermions. Our results are in line with investigations of three-flavour QCD using improved Wilson fermions and indicate that the syste...
Phase diagram of the triangular-lattice Potts antiferromagnet
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.
Understanding the H -T phase diagram of the monoaxial helimagnet
Laliena, Victor; Campo, Javier; Kousaka, Yusuke
2016-09-01
Some unexpected features of the phase diagram of the monoaxial helimagnet in presence of an applied magnetic field perpendicular to the chiral axis are theoretically predicted. A rather general Hamiltonian with long-range Heisenberg exchange and Dzyaloshinskii-Moriya interactions is considered. The continuum limit simplifies the free energy, which contains only a few parameters which in principle are determined by the many parameters of the Hamiltonian, although in practice they may be tuned to fit the experiments. The phase diagram contains a chiral soliton lattice phase and a forced ferromagnetic phase separated by a line of phase transitions, which are of second order at low T and of first order in the vicinity of the zero-field ordering temperature, and are separated by a tricritical point. A highly nonlinear chiral soliton lattice, in which many harmonics contribute appreciably to the spatial modulation of the local magnetic moment, develops only below the tricritical temperature, and in this case, the scaling shows a logarithmic behavior similar to that at T =0 , which is a universal feature of the chiral soliton lattice. Below the tricritical temperature, the normalized soliton density curves are found to be independent of T , in agreement with the experimental results of magnetorresistance curves, while above the tricritical temperature they show a noticeable temperature dependence. The implications in the interpretation of experimental results of CrNb3S6 are discussed.
Ternary Phase Diagrams that Relate to the Plutonium Immobilization Ceramic
Energy Technology Data Exchange (ETDEWEB)
Ebbinghaus, B b; Krikorian, O H; Vance, E R; Stewart, M W
2001-01-01
The plutonium immobilization ceramic consists primarily of a pyrochlore titanate phase of the approximate composition Ca{sub 0.97}Hf{sub 0.17}Pu{sub 0.22}U{sub 0.39}Gd{sub 0.24} Ti{sub 2}O{sub 7}. In this study, a series of ternary phase diagrams was constructed to evaluate the relationship of various titanate phases (e.g., brannerite, zirconolite-2M, zirconolite-4M, and perovskite) to pyrochlore titanates, usually in the presence of excess TiO{sub 2} (rutile), and at temperatures in the vicinity of 1350 C. To facilitate the studies, U, Th, and Ce were used as surrogates for Pu in a number of the phase diagrams in addition to the use of Pu itself. The effects of impurity oxides, Al{sub 2}O{sub 3} and MgO, were also studied on pyrochlore (Gd{sub 2}Ti{sub 2}O{sub 7}) and zirconolite (CaHfTi{sub 2}O{sub 7}) mixtures. Either electron microprobe (at Lawrence Livermore National Laboratory) or quantitative SEM-EDS (at Australian Nuclear Science and Technology Organization) were used to evaluate the compositions of the phases.
UPS Delivers Optimal Phase Diagram in High Dimensional Variable Selection
Ji, Pengsheng
2010-01-01
Consider linear regression in the so-called regime of p much larger than n. We propose the UPS as a new variable selection method. This is a Screen and Clean procedure [Wasserman and Roeder (2009)], in which we screen with the Univariate thresholding, and clean with the Penalized MLE. In many situations, the UPS possesses two important properties: Sure Screening and Separable After Screening (SAS). These properties enable us to reduce the original regression problem to many small-size regression problems that can be fitted separately. We measure the performance of variable selection procedure by the Hamming distance. In many situations, we find that the UPS achieves the optimal rate of convergence, and also yields an optimal partition of the so-called phase diagram. In the two-dimensional phase space calibrated by the signal sparsity and signal strength, there is a three-phase diagram shared by many choices of design matrices. In the first phase, it is possible to recover all signals. In the second phase, exa...
Research data supporting "Determining pressure-temperature phase diagrams of materials"
Baldock, Robert J.N.; Partay, Livia B.; Bartok, Albert P.; Payne, Michael C.; Csanyi, Gabor
2016-01-01
Pressure-temperature phase diagrams of the Lennard-Jones system, aluminium and nickel titanium as reported in the paper "Determining pressure-temperature phase diagrams of materials", together with example nested sampling output for aluminium and nickel titanium calculations. This research data supports “Determining pressure-temperature phase diagrams of materials” which has been published in “Physical Review B”. Research data supporting “Determining pressure-temperature phase diagrams...
Alloys, * Phase diagrams , *Symposia, Stability, Thermodynamic properties, Models, Solidification, Chemical equilibrium, Microstructure, Metallurgy, Structural analysis, Research management, Materials
Quarks and gluons in the phase diagram of quantum chromodynamics
Energy Technology Data Exchange (ETDEWEB)
Welzbacher, Christian Andreas
2016-07-14
In this dissertation we study the phase diagram of strongly interacting matter by approaching the theory of quantum chromodynamics in the functional approach of Dyson-Schwinger equations. With these quantum (field) equations of motions we calculate the non-perturbative quark propagator within the Matsubara formalism. We built up on previous works and extend the so-called truncation scheme, which is necessary to render the infinite tower of Dyson-Schwinger equations finite and study phase transitions of chiral symmetry and the confinement/deconfinement transition. In the first part of this thesis we discuss general aspects of quantum chromodynamics and introduce the Dyson-Schwinger equations in general and present the quark Dyson-Schwinger equation together with its counterpart for the gluon. The Bethe-Salpeter equation is introduced which is necessary to perform two-body bound state calculations. A view on the phase diagram of quantum chromodynamics is given, including the discussion of order parameter for chiral symmetry and confinement. Here we also discuss the dependence of the phase structure on the masses of the quarks. In the following we present the truncation and our results for an unquenched N{sub f} = 2+1 calculation and compare it to previous studies. We highlight some complementary details for the quark and gluon propagator and discus the resulting phase diagram, which is in agreement with previous work. Results for an equivalent of the Columbia plot and the critical surface are discussed. A systematically improved truncation, where the charm quark as a dynamical quark flavour is added, will be presented in Ch. 4. An important aspect in this investigation is the proper adjustment of the scales. This is done by matching vacuum properties of the relevant pseudoscalar mesons separately for N{sub f} = 2+1 and N f = 2+1+1 via a solution of the Bethe-Salpeter equation. A comparison of the resulting N{sub f} = 2+1 and N{sub f} = 2+1+1 phase diagram indicates
Phase diagram and entanglement of two interacting topological Kitaev chains
Herviou, Loïc; Mora, Christophe; Le Hur, Karyn
2016-04-01
A superconducting wire described by a p -wave pairing and a Kitaev Hamiltonian exhibits Majorana fermions at its edges and is topologically protected by symmetry. We consider two Kitaev wires (chains) coupled by a Coulomb-type interaction and study the complete phase diagram using analytical and numerical techniques. A topological superconducting phase with four Majorana fermions occurs until moderate interactions between chains. For large interactions, both repulsive and attractive, by analogy with the Hubbard model, we identify Mott phases with Ising-type magnetic order. For repulsive interactions, the Ising antiferromagnetic order favors the occurrence of orbital currents spontaneously breaking time-reversal symmetry. By strongly varying the chemical potentials of the two chains, quantum phase transitions towards fully polarized (empty or full) fermionic chains occur. In the Kitaev model, the quantum critical point separating the topological superconducting phase and the polarized phase belongs to the universality class of the critical Ising model in two dimensions. When increasing the Coulomb interaction between chains, then we identify an additional phase corresponding to two critical Ising theories (or two chains of Majorana fermions). We confirm the existence of such a phase from exact mappings and from the concept of bipartite fluctuations. We show the existence of negative logarithmic corrections in the bipartite fluctuations, as a reminiscence of the quantum critical point in the Kitaev model. Other entanglement probes such as bipartite entropy and entanglement spectrum are also used to characterize the phase diagram. The limit of large interactions can be reached in an equivalent setup of ultracold atoms and Josephson junctions.
Theta angle in holographic QCD
Jarvinen, Matti
2016-01-01
V-QCD is a class of effective holographic models for QCD which fully includes the backreaction of quarks to gluon dynamics. The physics of the theta-angle and the axial anomaly can be consistently included in these models. We analyze their phase diagrams over ranges of values of the quark mass, N_f/N_c, and theta, computing observables such as the topological susceptibility and the meson masses. At small quark mass, where effective chiral Lagrangians are reliable, they agree with the predictions of V-QCD.
Misfit strain phase diagrams of epitaxial PMN–PT films
Energy Technology Data Exchange (ETDEWEB)
Khakpash, N.; Khassaf, H.; Rossetti, G. A. [Department of Materials Science and Engineering and Institute of Materials Science, University of Connecticut, Storrs, Connecticut 06269 (United States); Alpay, S. P., E-mail: p.alpay@ims.uconn.edu [Department of Materials Science and Engineering and Institute of Materials Science, University of Connecticut, Storrs, Connecticut 06269 (United States); Department of Physics, University of Connecticut, Storrs, Connecticut 06269 (United States)
2015-02-23
Misfit strain–temperature phase diagrams of three compositions of (001) pseudocubic (1 − x)·Pb (Mg{sub l/3}Nb{sub 2/3})O{sub 3} − x·PbTiO{sub 3} (PMN–PT) thin films are computed using a phenomenological model. Two (x = 0.30, 0.42) are located near the morphotropic phase boundary (MPB) of bulk PMN–PT at room temperature (RT) and one (x = 0.70) is located far from the MPB. The results show that it is possible to stabilize an adaptive monoclinic phase over a wide range of misfit strains. At RT, the stability region of this phase is much larger for PMN–PT compared to barium strontium titanate and lead zirconate titanate films.
Misfit strain phase diagrams of epitaxial PMN-PT films
Khakpash, N.; Khassaf, H.; Rossetti, G. A.; Alpay, S. P.
2015-02-01
Misfit strain-temperature phase diagrams of three compositions of (001) pseudocubic (1 - x).Pb (Mgl/3Nb2/3)O3 - x.PbTiO3 (PMN-PT) thin films are computed using a phenomenological model. Two (x = 0.30, 0.42) are located near the morphotropic phase boundary (MPB) of bulk PMN-PT at room temperature (RT) and one (x = 0.70) is located far from the MPB. The results show that it is possible to stabilize an adaptive monoclinic phase over a wide range of misfit strains. At RT, the stability region of this phase is much larger for PMN-PT compared to barium strontium titanate and lead zirconate titanate films.
Phase diagrams and heterogeneous equilibria a practical introduction
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.
Moving through three-dimensional phase diagrams of monoclonal antibodies.
Rakel, Natalie; Baum, Miriam; Hubbuch, Jürgen
2014-01-01
Protein phase behavior characterization is a multivariate problem due to the high amount of influencing parameters and the diversity of the proteins. Single influences on the protein are not understood and fundamental knowledge remains to be obtained. For this purpose, a systematic screening method was developed to characterize the influence of fluid phase conditions on the phase behavior of proteins in three-dimensional phase diagrams. This approach was applied to three monoclonal antibodies to investigate influences of pH, protein and salt concentrations, with five different salts being tested. Although differences exist between the antibodies, this extensive study confirmed the general applicability of the Hofmeister series over the broad parameter range analyzed. The influence of the different salts on the aggregation (crystallization and precipitation) probability was described qualitatively using this Hofmeister series, with a differentiation between crystallization and precipitation being impossible, however.
Comparison of actual vs synthesized ternary phase diagrams for solutes of cryobiological interest☆
F W Kleinhans; Mazur, Peter
2007-01-01
Phase diagrams are of great utility in cryobiology, especially those consisting of a cryoprotective agent (CPA) dissolved in a physiological salt solution. These ternary phase diagrams consist of plots of the freezing points of increasing concentrations of solutions of cryoprotective agents (CPA) plus NaCl. Because they are time-consuming to generate, ternary diagrams are only available for a small number of CPA's. We wanted to determine whether accurate ternary phase diagrams could be synthe...
({alpha},{eta}) phase diagrams in tilted chiral smectics
Energy Technology Data Exchange (ETDEWEB)
Rjili, M., E-mail: medrjili@yahoo.fr [Laboratoire de Physique de la Matiere Molle et de la Modelisation Electromagnetique, Faculte des Sciences de Tunis, Universite Tunis El Manar, 2092 El Manar Tunis (Tunisia); Marcerou, J.P., E-mail: marcerou@crpp-bordeaux.cnrs.fr [Centre de Recherches Paul Pascal, 115, Av. Albert-Schweitzer, 33600 Pessac (France); Gharbi, A.; Othman, T. [Laboratoire de Physique de la Matiere Molle et de la Modelisation Electromagnetique, Faculte des Sciences de Tunis, Universite Tunis El Manar, 2092 El Manar Tunis (Tunisia)
2013-02-01
The polymorphism of tilted chiral smectics liquid crystals is incredibly rich and encompasses many subphases such as SmC{sub A}{sup Low-Asterisk }; SmC{sub Fi1}{sup Low-Asterisk }; SmC{sub Fi2}{sup Low-Asterisk }; SmC{sup Low-Asterisk }; SmC{sub {alpha}}{sup Low-Asterisk }. The continuum theory established by Marcerou (2010) is used to derive an expression for the free energy density of those subphases. The minimization of this free energy is obtained through a combination of analytical and numerical methods. It leads to a phase diagram built in the ({alpha},{eta}) plane where {alpha} is local angular parameter and {eta} describes the variation of the temperature. From this graphical representation, many experimentally observed phase sequences of ferroelectric liquid crystals can be explained, even them including subphases which were recently observed like the SmC{sub 5}{sup Low-Asterisk} and the SmC{sub 6}{sup Low-Asterisk} ones. However, it should be emphasized that the details of predicted phase diagram are strongly dependent on the compound studied.
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.
Phase Diagrams of Instabilities in Compressed Film-Substrate Systems.
Wang, Qiming; Zhao, Xuanhe
2014-05-01
Subject to a compressive membrane stress, an elastic film bonded on a substrate can become unstable, forming wrinkles, creases or delaminated buckles. Further increasing the compressive stress can induce advanced modes of instabilities including period-doubles, folds, localized ridges, delamination, and coexistent instabilities. While various instabilities in film-substrate systems under compression have been analyzed separately, a systematic and quantitative understanding of these instabilities is still elusive. Here we present a joint experimental and theoretical study to systematically explore the instabilities in elastic film-substrate systems under uniaxial compression. We use the Maxwell stability criterion to analyze the occurrence and evolution of instabilities analogous to phase transitions in thermodynamic systems. We show that the moduli of the film and the substrate, the film-substrate adhesion strength, the film thickness, and the prestretch in the substrate determine various modes of instabilities. Defects in the film-substrate system can facilitate it to overcome energy barriers during occurrence and evolution of instabilities. We provide a set of phase diagrams to predict both initial and advanced modes of instabilities in compressed film-substrate systems. The phase diagrams can be used to guide the design of film-substrate systems to achieve desired modes of instabilities.
Phase Diagram of Antiferromagnetically Exchange-Coupled Bilayer
Institute of Scientific and Technical Information of China (English)
GUO Guang-Hua; ZHANG Guang-Fu; SUN Li-Yuan; Peter A. J. de Groot
2008-01-01
Magnetic hysteresis properties of antiferromagnetically exchange-coupled bilayer structures, in which the two magnetic layers have different magnetic parameters and thicknesses, are studied within the framework of the Stoner-Wohifarth model. Analytical expressions for the switching fields corresponding to the linear magnetic states are obtained. By adjusting the magnetic parameters or thicknesses of layers, nine different types of easyaxis hysteresis loops may exist. The phase diagram of easy-axis hysteresis loops is mapped in the k,1 and k,2 plane, where k,1 and k,2 are the ratios of magnetic anisotropy to the interlayer exchange coupling of the two magnetic layers, respectively.
Simple thermodynamic model for the hydrogen phase diagram
Magdǎu, Ioan B.; Marqués, Miriam; Borgulya, Balint; Ackland, Graeme J.
2017-03-01
We describe a classical thermodynamic model that reproduces the main features of the solid hydrogen phase diagram. In particular, we show how the general structure types, which are found by electronic structure calculations and the quantum nature of the protons, can also be understood from a classical viewpoint. The model provides a picture not only of crystal structure, but also for the anomalous melting curve and insights into isotope effects, liquid metallisation, and infrared activity. The existence of a classical picture for this most quantum of condensed matter systems provides a surprising extension of the correspondence principle of quantum mechanics, in particular the equivalent effects of classical and quantum uncertainty.
Edge states and phase diagram for graphene under polarized light
Energy Technology Data Exchange (ETDEWEB)
Wang, Yi-Xiang, E-mail: wangyixiang@jiangnan.edu.cn [School of Science, Jiangnan University, Wuxi 214122 (China); Li, Fuxiang [Center for Nonlinear Studies and Theoretical Division, Los Alamos National Laboratory, Los Alamos, NM 87545 (United States)
2016-07-01
In this work, we investigate the topological phase transitions in graphene under the modulation of circularly polarized light, by analyzing the changes of edge states and its topological structures. A full phase diagram, with several different topological phases, is presented in the parameter space spanned by the driving frequency and light strength. We find that the high-Chern number behavior is very common in the driven system. While the one-photon resonance can create the chiral edge states in the π-gap, the two-photon resonance will induce the counter-propagating edge modes in the zero-energy gap. When the driving light strength is strong, the number and even the chirality of the edge states may change in the π-gap. The robustness of the edge states to disorder potential is also examined. We close by discussing the feasibility of experimental proposals.
Net-proton measurements at RHIC and the quantum chromodynamics phase diagram
Indian Academy of Sciences (India)
Bedangadas Mohanty
2014-11-01
Two measurements related to the proton and antiproton production near midrapidity in $\\sqrt{s_{NN}}$ = 7.7, 11.5, 19.6, 27, 39, 62.4 and 200 GeV Au+Au collisions using the STAR detector at the Relativistic Heavy Ion Collider (RHIC) are discussed. At intermediate impact parameters, the net-proton midrapidity d$v_1$/d, where $v_1$ and are directed flow and rapidity, respectively, shows non-monotonic variation as a function of beam energy. This non-monotonic variation is characterized by the presence of a minimum in d$v_1$/d between $\\sqrt{s_{NN}}$ = 11.5 and 19.6 GeV and a change in the sign of d$v_1$/d twice between $\\sqrt{s_{NN}}$ = 7.7 and 39 GeV. At small impact parameters the product of the moments of net-proton distribution, kurtosis × variance ( 2) and skewness × standard deviation ($S$) are observed to be significantly below the corresponding measurements at large impact parameter collisions for $\\sqrt{s_{NN}}$ = 19.6 and 27 GeV. The 2 and $S$ values at these beam energies deviate from the expectations from Poisson statistics and that from a hadron resonance gas model. Both these measurements have implications towards understanding the quantum chromodynamics (QCD) phase structures, the first-order phase transition and the critical point in the high baryonic chemical potential region of the phase diagram.
Indian Academy of Sciences (India)
B Nageswara Sarma; S Srinivas Prasad; S Vijayvergiya; V Bharath Kumar; S Lele
2003-06-01
The thermodynamic origin of various types of phase diagrams in simple binary systems exhibiting two phases (e.g. a liquid and a solid phase) has been examined using the regular solution model. The necessary conditions for the occurrence of each of these types are identified in terms of the appropriate intersections of the miscibility gap boundaries (in solid/liquid phases) and the liquidus/solidus/iso- curves. Thus, the regions of occurrence of the different types of possible phase diagrams in the space of the regular solution interchange energy parameters (, ) are clearly delineated. This analysis makes it easier to make intelligent initial selections of model (energy) parameters for their optimization in the calculation of phase diagrams using thermodynamic models such as CALPHAD/CVM.
Cosmological Consequences of QCD Phase Transition(s) in Early Universe
Tawfik, A
2008-01-01
We discuss the cosmological consequences of QCD phase transition(s) on the early universe. We argue that our recent knowledge about the transport properties of quark-gluon plasma (QGP) should throw additional lights on the actual time evolution of our universe. Understanding the nature of QCD phase transition(s), which can be studied in lattice gauge theory and verified in heavy ion experiments, provides an explanation for cosmological phenomenon stem from early universe.
Institute of Scientific and Technical Information of China (English)
Jin Ling CHAI; Gan Zuo LI; Zhao Yu DIAO; Gao Yong ZHANG
2004-01-01
The three-phase behavior in the quaternary system of an alkyl (C8/10- or C12/14-) polyglucoside / 1-butanol / n-octane / water has been studied at 40 ℃ with the modified fishlike phase diagram, which is presented by us for the first time. The mass fraction of 1-butanol in the hydrophile-lipophile balanced interfacial layer, AS, the coordinates of the start point B and the end point E of the phase diagram, and the solubilities of alkyl polyglucoside and 1-butanol in n-octane phase were calculated. The solubilization of the microemulsion was also discussed.
The Iron-Iron Carbide Phase Diagram: A Practical Guide to Some Descriptive Solid State Chemistry.
Long, Gary J.; Leighly, H. P., Jr.
1982-01-01
Discusses the solid state chemistry of iron and steel in terms of the iron-iron carbide phase diagram. Suggests that this is an excellent way of introducing the phase diagram (equilibrium diagram) to undergraduate students while at the same time introducing the descriptive solid state chemistry of iron and steel. (Author/JN)
First-Principles Phase Diagram for Ce-Th System
Energy Technology Data Exchange (ETDEWEB)
Landa, A; Soderlind, P; Ruban, A; Vitos, L; Pourovskii, L
2004-05-11
Ab initio total energy calculations based on the exact muffin-tin orbitals (EMTO) theory are used to determine the high pressure and low temperature phase diagram of Ce and Th metals as well as the Ce{sub 43}Th{sub 57} disordered alloy. The compositional disorder for the alloy is treated in the framework of the coherent potential approximation (CPA). Equation of state for Ce, Th and Ce{sub 43}Th{sub 57} has been calculated up to 1 Mbar in good comparison with experimental data: upon compression the Ce-Th system undergoes crystallographic phase transformation from an fcc to a bct structure and the transition pressure increases with Th content in the alloy.
Magnetic phase diagrams of α-MnMoO 4
Ehrenberg, H.; Schwarz, B.; Weitzel, H.
2006-10-01
Field-induced spin-flop transitions in α-MnMoO 4 are summarized in magnetic H-T phase diagrams for different directions of the applied magnetic field up to 12 T. The antiferromagnetic arrangement in the spin-flop phase is preserved at least up to this field for a field parallel to the easy direction. This high transition field is in contrast to the low one of α-NiMoO 4 and favours a model, based on dominant antiferromagnetic supersuperexchange couplings in α-MnMoO 4 over a ferromagnetic Mn 4 "cluster" model. The Néel temperature of 9.8(1) K was determined from the corresponding specific-heat anomaly, measured on a single crystal of α-MnMoO 4.
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.
Experimental investigation of the Cd-Pr phase diagram.
Directory of Open Access Journals (Sweden)
Thomas L Reichmann
Full Text Available The complete Cd-Pr equilibrium phase diagram was investigated with a combination of powder-XRD, SEM and DTA. All intermetallic compounds within this system, already reported in literature, could be confirmed: CdPr, Cd2Pr, Cd3Pr, Cd45Pr11, Cd58Pr13, Cd6Pr and Cd11Pr. The corresponding phase boundaries were determined at distinct temperatures. The homogeneity range of the high-temperature allotropic modification of Pr could be determined precisely and a limited solubility of 22.1 at.% Cd was derived. Additionally, single-crystal X-ray diffraction was employed to investigate structural details of Cd2Pr; it is isotypic to the AlB2-type structure with a z value of the Cd site of 0.5. DTA results of alloys located in the adjacent two-phase fields of Cd2Pr suggested a phase transformation between 893 and 930°C. For the phase Cd3Pr it was found that the lattice parameter a changes linearly with increasing Cd content, following Vegard's rule. The corresponding defect mechanism could be evaluated from structural data collected with single-crystal XRD. Introduction of a significant amount of vacancies on the Pr site and the reduction in symmetry of one Cd position (8c to 32f resulted in a noticeable decrease of all R-values.
Experimental investigation of the Cd-Pr phase diagram.
Reichmann, Thomas L; Effenberger, Herta S; Ipser, Herbert
2014-01-01
The complete Cd-Pr equilibrium phase diagram was investigated with a combination of powder-XRD, SEM and DTA. All intermetallic compounds within this system, already reported in literature, could be confirmed: CdPr, Cd2Pr, Cd3Pr, Cd45Pr11, Cd58Pr13, Cd6Pr and Cd11Pr. The corresponding phase boundaries were determined at distinct temperatures. The homogeneity range of the high-temperature allotropic modification of Pr could be determined precisely and a limited solubility of 22.1 at.% Cd was derived. Additionally, single-crystal X-ray diffraction was employed to investigate structural details of Cd2Pr; it is isotypic to the AlB2-type structure with a z value of the Cd site of 0.5. DTA results of alloys located in the adjacent two-phase fields of Cd2Pr suggested a phase transformation between 893 and 930°C. For the phase Cd3Pr it was found that the lattice parameter a changes linearly with increasing Cd content, following Vegard's rule. The corresponding defect mechanism could be evaluated from structural data collected with single-crystal XRD. Introduction of a significant amount of vacancies on the Pr site and the reduction in symmetry of one Cd position (8c to 32f) resulted in a noticeable decrease of all R-values.
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
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 temperatu......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...
Towards the phase diagram of dense two-color matter
Cotter, Seamus; Hands, Simon; Skullerud, Jon-Ivar
2012-01-01
We study two-color QCD with two flavors of Wilson fermion as a function of quark chemical potential mu and temperature T. We find evidence of a superfluid phase at intermediate mu and low T where the quark number density and diquark condensate are both very well described by a Fermi sphere of nearly-free quarks disrupted by a BCS condensate. Our results suggest that the quark contribution to the energy density is negative (and balanced by a positive gauge contribution), although this result is highly sensitive to details of the energy renormalisation. We also find evidence that the chiral condensate in this region vanishes in the massless limit. This region gives way to a region of deconfined quark matter at higher T and mu, with the deconfinement temperature, determined from the renormalised Polyakov loop, decreasing only very slowly with increasing chemical potential. The quark number susceptibility chi_q does not exhibit any qualitative change at the deconfinement transition. We argue that this is because ...
Liquid-ordered phases induced by cholesterol: a compendium of binary phase diagrams.
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.
Phase Diagram of Inhomogeneous Percolation with a Defect Plane
Iliev, G. K.; Janse van Rensburg, E. J.; Madras, N.
2015-01-01
Let be the -dimensional hypercubic lattice and let be an -dimensional sublattice, with . We consider a model of inhomogeneous bond percolation on at densities and , in which edges in are open with probability , and edges in open with probability . We generalize several classical results of (homogeneous) bond percolation to this inhomogeneous model. The phase diagram of the model is presented, and it is shown that there is a subcritical regime for and (where is the critical probability for homogeneous percolation in ), a bulk supercritical regime for , and a surface supercritical regime for and . We show that is a strictly decreasing function for , with a jump discontinuity at . We extend the Aizenman-Barsky differential inequalities for homogeneous percolation to the inhomogeneous model and use them to prove that the susceptibility is finite inside the subcritical phase. We prove that the cluster size distribution decays exponentially in the subcritical phase, and sub-exponentially in the supercritical phases. For a model of lattice animals with a defect plane, the free energy is related to functions of the inhomogeneous percolation model, and we show how the percolation transition implies a non-analyticity in the free energy of the animal model. Finally, we present simulation estimates of the critical curve.
Phases of three dimensional large N QCD on a continuum torus
Narayanan, R; Reynoso, F
2007-01-01
It is established by numerical means that continuum large N QCD defined on a three dimensional torus can exist in four different phases. They are (i) confined phase; (ii) deconfined phase; (iii) small box at zero temperature and (iv) small box at high temperatures.
Phase Diagram and Electronic Structure of Praseodymium and Plutonium
Lanatà, Nicola; Yao, Yongxin; Wang, Cai-Zhuang; Ho, Kai-Ming; Kotliar, Gabriel
2015-01-01
We develop a new implementation of the Gutzwiller approximation in combination with the local density approximation, which enables us to study complex 4 f and 5 f systems beyond the reach of previous approaches. We calculate from first principles the zero-temperature phase diagram and electronic structure of Pr and Pu, finding good agreement with the experiments. Our study of Pr indicates that its pressure-induced volume-collapse transition would not occur without change of lattice structure—contrarily to Ce. Our study of Pu shows that the most important effect originating the differentiation between the equilibrium densities of its allotropes is the competition between the Peierls effect and the Madelung interaction and not the dependence of the electron correlations on the lattice structure.
Phase diagram of hopping conduction mechanisms in polymer nanofiber network
Energy Technology Data Exchange (ETDEWEB)
Li, Jeng-Ting; Lu, Yu-Cheng; Jiang, Shiau-Bin; Zhong, Yuan-Liang, E-mail: ylzhong@cycu.edu.tw [Department of Physics and Center for Nanotechnology, Chung Yuan Christian University, Chung-Li 32023, Taiwan (China); Yeh, Jui-Ming [Department of Chemistry and Center for Nanotechnology, Chung Yuan Christian University, Chung-Li 32023, Taiwan (China)
2015-12-07
Network formation by nanofiber crosslinking is usually in polymer materials as application in organic semiconductor devices. Electron hopping transport mechanisms depend on polymer morphology in network. Conducting polymers morphology in a random network structure is modeled by a quasi-one-dimensional system coupled of chains or fibers. We observe the varying hopping conduction mechanisms in the polyaniline nanofibers of the random network structure. The average diameter d of the nanofibers is varied from approximately 10 to 100 nm. The different dominant hopping mechanisms including Efros-Shklovskii variable-range hopping (VRH), Mott VRH, and nearest-neighbor hopping are dependent on temperature range and d in crossover changes. The result of this study is first presented in a phase diagram of hopping conduction mechanisms based on the theories of the random network model. The hopping conduction mechanism is unlike in normal semiconductor materials.
Modelling of phase diagrams of nanoalloys with complex metallic phases: application to Ni-Sn.
Kroupa, A; Káňa, T; Buršík, J; Zemanová, A; Šob, M
2015-11-14
A method for modelling of size-dependent phase diagrams was developed by combining the semiempirical CALPHAD method and ab initio calculations of surface stresses for intermetallic phases. A novel approach was devised for the calculation of surface energy, free of systematic errors from the selection of different parameters of the software (e.g. number of the k-points) and for handling layered structures and off-stoichiometric slabs. Our approach allows the determination of complex size-dependent phase diagrams of systems with intermetallic phases, which was not possible up to now. The method was verified for the modelling of the phase diagram of the Ni-Sn system and basic comparison with rare experimental results was shown. There is reasonable agreement between the calculated and experimental results. The modelling of size-dependent phase diagrams of real systems allows the prediction of phase equilibria existing in nanosystems and possible changes in material properties. There is a need for such knowledge and the existence of reliable data for simpler systems is crucial for further application of this approach. This should motivate future experimental work.
Determining scaling in known phase diagrams of nonionic microemulsions to aid constructing unknown.
Balogh, Joakim
2010-08-11
Microemulsions based on nonionic surfactants of the ethylene oxide alkyl ether type C(m)E(n), have been studied thoroughly for around 30 years. Thanks to the considerable amount of published data available on these systems, it is possible to observe trends to make predictions of phase diagrams not yet determined. Strey and Kahlweit, and subsequently Sottmann and Strey, with coworkers have studied and published phase diagrams for systems with a fixed ratio of oil to water, varying the surfactant, the so-called Kahlweit fish-cut diagrams. Some properties of the phase diagrams can be scaled to become general and not system dependent. Here are shown two examples of scaling data from phase diagrams and the use of trends to determine phase diagrams, both inside and outside a dataset. The trends of microemulsions with fixed ratio of surfactant to oil, the so-called Lund-cut diagrams, are also investigated. The trends are used to determine a new phase diagram and this is compared with previously unpublished experimental data on C(12)E(5)-Octadecane-Water system. The scalings and trends make it possible to get good estimations of many of the important properties of the phase diagrams, both temperatures and surfactant concentrations of interest, by investigating one sample in the 3-phase region of the balanced fish-cut diagram.
Phase diagram for ortho-para-hydrogen monolayers
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...
Pressure-temperature Phase Diagram of the Earth
Jones, Eriita
2010-01-01
Based on a pressure-temperature (P-T) phase diagram model of the Earth, Jones & Lineweaver (2010) described uninhabited terrestrial liquid water. Our model represents the atmosphere, surface, oceans and interior of the Earth - allowing the range of P-T conditions in terrestrial environments to be compared to the phase regime of liquid water. Here we present an overview and additional results from the Earth model on the location of the deepest liquid water on Earth and the maximum possible extent of the terrestrial biosphere. The intersection of liquid water and terrestrial phase space indicates that the deepest liquid water environments in the lithosphere occur at a depth of ~ 75 km. 3.5 % of the volume of the Earth is above 75 km depth. Considering the 3.5 % of the volume of the Earth where liquid water exists, ~ 12% of this volume is inhabited by life while the remaining ~ 88% is uninhabited. This is distinct from the fraction of the volume of liquid water occupied by life. We find that at least 1% of t...
Predicted phase diagram of boron-carbon-nitrogen
Zhang, Hantao; Yao, Sanxi; Widom, Michael
2016-04-01
Noting the structural relationships between phases of carbon and boron carbide with phases of boron nitride and boron subnitride, we investigate their mutual solubilities using a combination of first-principles total energies supplemented with statistical mechanics to address finite temperatures. Thus we predict the solid-state phase diagram of boron-carbon-nitrogen (B-C-N). Owing to the large energy costs of substitution, we find that the mutual solubilities of the ultrahard materials diamond and cubic boron nitride are negligible, and the same for the quasi-two-dimensional materials graphite and hexagonal boron nitride. In contrast, we find a continuous range of solubility connecting boron carbide to boron subnitride at elevated temperatures. An electron-precise ternary compound B13CN consisting of B12 icosahedra with NBC chains is found to be stable at all temperatures up to melting. It exhibits an order-disorder transition in the orientation of NBC chains at approximately T =500 K. We also propose that the recently discovered binary B13N2 actually has composition B12.67N2 .
Dynamical charge density waves rule the phase diagram of cuprates
Caprara, S.; Di Castro, C.; Seibold, G.; Grilli, M.
2017-06-01
In the last few years, charge density waves (CDWs) have been ubiquitously observed in high-temperature superconducting cuprates and are now the most investigated among the competing orders in the still hot debate on these systems. A wealth of new experimental data raises several fundamental issues that challenge the various theoretical proposals. We here relate our mean-field instability line TCDW0 of a strongly correlated Fermi liquid to the pseudogap T*(p ) line, marking in this way the onset of CDW-fluctuations. These fluctuations reduce strongly the mean-field critical line. Controlling this reduction via an infrared frequency cutoff related to the characteristic time of the probes, we account for the complex experimental temperature versus doping phase diagram. We provide a coherent scenario explaining why different CDW onset curves are observed by different experimental probes and seem to extrapolate at zero temperature into seemingly different quantum critical points (QCPs) in the intermediate and overdoped region. The nearly singular anisotropic scattering mediated by these fluctuations also accounts for the rapid changes of the Hall number seen in experiments and provides the first necessary step for a possible Fermi surface reconstruction fully establishing at lower doping. Finally, we show that phase fluctuations of the CDWs, which are enhanced in the presence of strong correlations near the Mott insulating phase, naturally account for the disappearance of the CDWs at low doping with yet another QCP as seen by the experiments.
de las Heras, Daniel; Schmidt, Matthias
2015-05-20
We give a full account of a recently proposed theory that explicitly relates the bulk phase diagram of a binary colloidal mixture to its phase stacking phenomenology under gravity (de las Heras and Schmidt 2013 Soft Matter 9 8636). As we demonstrate, the full set of possible phase stacking sequences in sedimentation-diffusion equilibrium originates from straight lines (sedimentation paths) in the chemical potential representation of the bulk phase diagram. From the analysis of various standard topologies of bulk phase diagrams, we conclude that the corresponding sedimentation stacking diagrams can be very rich, even more so when finite sample height is taken into account. We apply the theory to obtain the stacking diagram of a mixture of nonadsorbing polymers and colloids. We also present a catalog of generic phase diagrams in the plane of chemical potentials in order to facilitate the practical application of our concept, which also generalizes to multi-component mixtures.
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.
Evaluation of the Current Status of the Combinatorial Approach for the Study of Phase Diagrams.
Wong-Ng, W
2012-01-01
This paper provides an evaluation of the effectiveness of using the high throughput combinatorial approach for preparing phase diagrams of thin film and bulk materials. Our evaluation is based primarily on examples of combinatorial phase diagrams that have been reported in the literature as well as based on our own laboratory experiments. Various factors that affect the construction of these phase diagrams are examined. Instrumentation and analytical approaches needed to improve data acquisition and data analysis are summarized.
Characteristics of QCD phase transitions in an extended Skyrme model on S$^{3}$
Kim, J H; Lee, H K; Kim, Joon Ha; Yee, Sooman; Lee, Hyun Kyu
1994-01-01
We study the characteristics of the QCD phase transitions in dense hadronic matter using the Skyrme model constructed on S^3. We find numerically the localized solutions on S^3 using the extended Skyrme model which implements correctly the scale symmetry of QCD. The transition from the localized phase to the delocalized phase is found to be of first order at the critical radius of the hypersphere, L_c. The chiral restoration and the gluon decondensation also take place at the same critical size.
The Collins Model and the Eutectic-Type and the Peritectic-Type Phase Diagrams
Institute of Scientific and Technical Information of China (English)
XIE Chuan-Mei; CHEN Li-Rong
2003-01-01
From the Gibbs free energy and the equations of two-phase equilibrium curves of the two-dimensionalbinary system which has the Lennard-Jones potential, using the Collins model, the eutectic-type phase diagram and theperitectic-type phase diagram of the binary system are obtained, whose results are quite similar to the behavior of thethree-dimensional (3D) substances.
A Closer Look at Phase Diagrams for the General Chemistry Course.
Gramsch, Stephen A.
2000-01-01
Information concerning structural chemistry and phase equilibria contained in the full phase diagrams of common substances is a great deal richer than the general chemistry students are given to believe. Discusses ways of enriching the traditional presentation of phase diagrams in general chemistry courses. (Contains over 20 references.) (WRM)
Phase diagram of the half-filled ionic Hubbard model
Bag, Soumen; Garg, Arti; Krishnamurthy, H. R.
2015-06-01
We study the phase diagram of the ionic Hubbard model (IHM) at half filling on a Bethe lattice of infinite connectivity using dynamical mean-field theory (DMFT), with two impurity solvers, namely, iterated perturbation theory (IPT) and continuous time quantum Monte Carlo (CTQMC). The physics of the IHM is governed by the competition between the staggered ionic potential Δ and the on-site Hubbard U . We find that for a finite Δ and at zero temperature, long-range antiferromagnetic (AFM) order sets in beyond a threshold U =UA F via a first-order phase transition. For U smaller than UA F the system is a correlated band insulator. Both methods show a clear evidence for a quantum transition to a half-metal (HM) phase just after the AFM order is turned on, followed by the formation of an AFM insulator on further increasing U . We show that the results obtained within both methods have good qualitative and quantitative consistency in the intermediate-to-strong-coupling regime at zero temperature as well as at finite temperature. On increasing the temperature, the AFM order is lost via a first-order phase transition at a transition temperature TA F(U ,Δ ) [or, equivalently, on decreasing U below UA F(T ,Δ ) ], within both methods, for weak to intermediate values of U /t . In the strongly correlated regime, where the effective low-energy Hamiltonian is the Heisenberg model, IPT is unable to capture the thermal (Neel) transition from the AFM phase to the paramagnetic phase, but the CTQMC does. At a finite temperature T , DMFT +CTQMC shows a second phase transition (not seen within DMFT +IPT ) on increasing U beyond UA F. At UN>UA F , when the Neel temperature TN for the effective Heisenberg model becomes lower than T , the AFM order is lost via a second-order transition. For U ≫Δ , TN˜t2/U (1 -x2) , where x =2 Δ /U and thus TN increases with increase in Δ /U . In the three-dimensional parameter space of (U /t ,T /t ,andΔ /t ) , as T increases, the surface of first
Temperature-pressure phase diagram of cubic Laves phase Au2Pb
Chen, K. W.; Graf, D.; Besara, T.; Gallagher, A.; Kikugawa, N.; Balicas, L.; Siegrist, T.; Shekhter, A.; Baumbach, R. E.
2016-01-01
The temperature (T ) as a function of pressure (P ) phase diagram is reported for the cubic Laves phase compound Au2Pb, which was recently proposed to support linearly dispersing topological bands, together with conventional quadratic bands. At ambient pressure, Au2Pb exhibits several structural phase transitions at T1=97 K , T2=51 K , and T3=40 K with superconductivity below Tc=1.2 K . Applied pressure results in a rich phase diagram where T1,T2, and T3 evolve strongly with P and a possible new phase is stabilized for P >0.64 GPa that also supports superconductivity below 1.1 K. These observations suggest that Au2Pb is an ideal system in which to investigate the relationship between structural degrees of freedom, band topology, and resulting anomalous behaviors.
Phase diagrams and kinetics of solid-liquid phase transitions in crystalline polymer blends
Matkar, Rushikesh A.
A free energy functional has been formulated based on an order parameter approach to describe the competition between liquid-liquid phase separation and solid-liquid phase separation. In the free energy description, the assumption of complete solvent rejection from the crystalline phase that is inherent in the Flory diluent theory was removed as solvent has been found to reside in the crystalline phase in the form of intercalates. Using this approach, we have calculated various phase diagrams in binary blends of crystalline and amorphous polymers that show upper or lower critical solution temperature. Also, the discrepancy in the chi values obtained from different experimental methods reported in the literature for the polymer blend of poly(vinylidenefluoride) and poly(methylmethacrylate) has been discussed in the context of the present model. Experimental phase diagram for the polymer blend of poly(caprolactone) and polystyrene has also been calculated. Of particular importance is that the crystalline phase concentration as a function of temperature has been calculated using free energy minimization methods instead of assuming it to be pure. In the limit of complete immiscibility of the solvent in the crystalline phase, the Flory diluent theory is recovered. The model is extended to binary crystalline blends and the formation of eutectic, peritectic and azeotrope phase diagrams has been explained on the basis of departure from ideal solid solution behavior. Experimental eutectic phase diagram from literature of a binary blend of crystalline polymer poly(caprolactone) and trioxane were recalculated using the aforementioned approach. Furthermore, simulations on the spatio temporal dynamics of crystallization in blends of crystalline and amorphous polymers were carried out using the Ginzburg-Landau approach. These simulations have provided insight into the distribution of the amorphous polymer in the blends during the crystallization process. The simulated results
Reinvestigation of the Cd–Gd phase diagram
Reichmann, Thomas L.; Ipser, Herbert
2014-01-01
The complete Cd–Gd equilibrium phase diagram was investigated by a combination of powder-XRD, SEM and DTA. All previously reported phases, i.e., CdGd, Cd2Gd, Cd3Gd, Cd45Gd11, Cd58Gd13, and Cd6Gd, could be confirmed. In addition, a new intermetallic compound with a stoichiometric composition corresponding to “Cd8Gd” was found to exist. It was obtained that “Cd8Gd” decomposes peritectically at 465 °C. Homogeneity ranges of all intermetallic compounds were determined at distinct temperatures. In addition, the maximum solubilities of Cd in the low- and high-temperature modifications of Gd were determined precisely as 4.6 and 22.6 at.%, respectively. All invariant reaction temperatures (with the exception of the formation of Cd58Gd13) as well as liquidus temperatures were determined, most probably, Cd58Gd13 is formed in a peritectoid reaction from Cd45Gd11 and Cd6Gd at a temperature below 700 °C. PMID:25544803
Reinvestigation of the Cd-Gd phase diagram.
Reichmann, Thomas L; Ipser, Herbert
2014-12-25
The complete Cd-Gd equilibrium phase diagram was investigated by a combination of powder-XRD, SEM and DTA. All previously reported phases, i.e., CdGd, Cd2Gd, Cd3Gd, Cd45Gd11, Cd58Gd13, and Cd6Gd, could be confirmed. In addition, a new intermetallic compound with a stoichiometric composition corresponding to "Cd8Gd" was found to exist. It was obtained that "Cd8Gd" decomposes peritectically at 465 °C. Homogeneity ranges of all intermetallic compounds were determined at distinct temperatures. In addition, the maximum solubilities of Cd in the low- and high-temperature modifications of Gd were determined precisely as 4.6 and 22.6 at.%, respectively. All invariant reaction temperatures (with the exception of the formation of Cd58Gd13) as well as liquidus temperatures were determined, most probably, Cd58Gd13 is formed in a peritectoid reaction from Cd45Gd11 and Cd6Gd at a temperature below 700 °C.
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.
Solid-liquid phase diagram of disubstituted benzene systems
Institute of Scientific and Technical Information of China (English)
黑恩成; 刘国杰
1995-01-01
The cooling curves of different compositions of the systems of ortho-chlorotoluene/para-chlorotoluene and ortho-nitrochlorobenzene/para-nitrochlorobenzene are carefully determined by the thermal analysis method. The crystals obtained are also tested. The conclusion that both systems are of simple eutectic diagram but not the solid solution diagram with a minimum melting point is confirmed. The characteristics of the diagram are explained according to the physical and thermodynarmc properties of the components.
Heydarinasab, F.; Abouie, J.
2017-09-01
We introduce an inhomogeneous bosonic mixture composed of two kinds of hard-core and semi-hard-core bosons with different nilpotency conditions and demonstrate that in contrast with the standard hard-core Bose-Hubbard model, our bosonic mixture with nearest- and next-nearest-neighbor interactions on a square lattice develops the checkerboard supersolid phase characterized by the simultaneous superfluid and checkerboard solid orders. Our bosonic mixture is created from a two-orbital Bose-Hubbard model including two kinds of bosons: a single-orbital boson and a two-orbital boson. By mapping the bosonic mixture to an anisotropic inhomogeneous spin model in the presence of a magnetic field, we study the ground-state phase diagram of the model by means of cluster mean field theory and linear spin-wave theory and show that various phases such as solid, superfluid, supersolid, and Mott insulator appear in the phase diagram of the mixture. Competition between the interactions and magnetic field causes the mixture to undergo different kinds of first- and second-order phase transitions. By studying the behavior of the spin-wave excitations, we find the reasons of all first- and second-order phase transitions. We also obtain the temperature phase diagram of the system using cluster mean field theory. We show that the checkerboard supersolid phase persists at finite temperature comparable with the interaction energies of bosons.
Exact ground-state phase diagrams for the spin-3/2 Blume Emery Griffiths model
Canko, Osman; Deviren, Bayram; Keskin, Mustafa
2008-05-01
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 Jnon-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.
Phase stability in nanoscale material systems: extension from bulk phase diagrams.
Bajaj, Saurabh; Haverty, Michael G; Arróyave, Raymundo; Goddard, William A; Shankar, Sadasivan
2015-06-07
Phase diagrams of multi-component systems are critical for the development and engineering of material alloys for all technological applications. At nano dimensions, surfaces (and interfaces) play a significant role in changing equilibrium thermodynamics and phase stability. In this work, it is shown that these surfaces at small dimensions affect the relative equilibrium thermodynamics of the different phases. The CALPHAD approach for material surfaces (also termed "nano-CALPHAD") is employed to investigate these changes in three binary systems by calculating their phase diagrams at nano dimensions and comparing them with their bulk counterparts. The surface energy contribution, which is the dominant factor in causing these changes, is evaluated using the spherical particle approximation. It is first validated with the Au-Si system for which experimental data on phase stability of spherical nano-sized particles is available, and then extended to calculate phase diagrams of similarly sized particles of Ge-Si and Al-Cu. Additionally, the surface energies of the associated compounds are calculated using DFT, and integrated into the thermodynamic model of the respective binary systems. In this work we found changes in miscibilities, reaction compositions of about 5 at%, and solubility temperatures ranging from 100-200 K for particles of sizes 5 nm, indicating the importance of phase equilibrium analysis at nano dimensions.
High-field phase-diagram of Fe arsenide superconductors
Energy Technology Data Exchange (ETDEWEB)
Jo, Y.J.; Jaroszynski, J.; Yamamoto, A.; Gurevich, A.; Riggs, S.C.; Boebinger, G.S.; Larbalestier, D. [National High Magnetic Field Laboratory, Florida State University, Tallahassee-FL 32310 (United States); Wen, H.H. [Institute of Physics, Chinese Academy of Sciences, Beijing 100190 (China); Zhigadlo, N.D.; Katrych, S.; Bukowski, Z.; Karpinski, J. [Laboratory for Solid State Physics, ETH Zuerich, CH-8093 Zuerich (Switzerland); Liu, R.H.; Chen, H.; Chen, X.H. [Hefei National Laboratory for Physical Science a Microscale and Department of Physics, University of Science and Technology of China, Hefei, Anhui 230026 (China); Balicas, L., E-mail: balicas@magnet.fsu.ed [National High Magnetic Field Laboratory, Florida State University, Tallahassee-FL 32310 (United States)
2009-05-01
Here, we report an overview of the phase-diagram of single-layered and double-layered Fe arsenide superconductors at high magnetic fields. Our systematic magneto-transport measurements of polycrystalline SmFeAsO{sub 1-x}F{sub x} at different doping levels confirm the upward curvature of the upper critical magnetic field H{sub c2}(T) as a function of temperature T defining the phase boundary between the superconducting and metallic states for crystallites with the ab planes oriented nearly perpendicular to the magnetic field. We further show from measurements on single-crystals that this feature, which was interpreted in terms of the existence of two superconducting gaps, is ubiquitous among both series of single- and double-layered compounds. In all compounds explored by us the zero temperature upper critical field H{sub c2}(0), estimated either through the Ginzburg-Landau or the Werthamer-Helfand-Hohenberg single gap theories, strongly surpasses the weak-coupling Pauli paramagnetic limiting field. This clearly indicates the strong-coupling nature of the superconducting state and the importance of magnetic correlations for these materials. Our measurements indicate that the superconducting anisotropy, as estimated through the ratio of the effective masses gamma = (m{sub c}/m{sub ab}){sup 1/2} for carriers moving along the c-axis and the ab-planes, respectively, is relatively modest as compared to the high-T{sub c} cuprates, but it is temperature, field and even doping dependent. Finally, our preliminary estimations of the irreversibility field H{sub m}(T), separating the vortex-solid from the vortex-liquid phase in the single-layered compounds, indicates that it is well described by the melting of a vortex lattice in a moderately anisotropic uniaxial superconductor.
Baryon currents in the C-broken phase of QCD
Lucini, B; Pica, C
2007-01-01
In a space with some sufficiently small compact dimension (with non-trivial cycles) and with periodic boundary conditions for the fermions, the charge conjugation (C), spatial parity (P), time reversal (T) and CPT symmetries are spontaneously broken in QCD. We have investigated what are the physical consequences of the breaking of these discrete symmetries, that is what local observables can be used to detect it. We show that the breaking induces the generation of baryon currents, propagating along the compact dimensions.
Gvozdikova, M. V.; Ziman, T.; Zhitomirsky, M. E.
2016-07-01
Motivated by the complex phase diagram of MnWO4, we investigate the competition between anisotropy, magnetic field, and helicity for the anisotropic next-nearest-neighbor Heisenberg model. Apart from two competing exchanges, which favor a spiral magnetic structure, the model features the biaxial single-ion anisotropy. The model is treated in the real-space mean-field approximation and the phase diagram containing various incommensurate and commensurate states is obtained for different field orientations. We discuss the similarities and differences of the theoretical phase diagram and the experimental diagram of MnWO4.
O(N) universality and the chiral phase transition in QCD
Karsch, Frithjof
2010-01-01
We discuss universal scaling properties of (2+1)-flavor QCD in the vicinity of the chiral phase transition at vanishing as well as non-vanishing light quark chemical potential (mu_l). We provide evidence for O(N) scaling of the chiral order parameter in (2+1)-flavor QCD and show that the scaling analysis of its derivative with respect to the light quark chemical potential provides a unique approach to the determination of the curvature of the chiral phase transition line in the vicinity of mu_l/T=0.
Induced smectic phases in phase diagrams of binary nematic liquid crystal mixtures.
Huang, Tsang-Min; McCreary, Kathleen; Garg, Shila; Kyu, Thein
2011-03-28
To elucidate induced smectic A and smectic B phases in binary nematic liquid crystal mixtures, a generalized thermodynamic model has been developed in the framework of a combined Flory-Huggins free energy for isotropic mixing, Maier-Saupe free energy for orientational ordering, McMillan free energy for smectic ordering, Chandrasekhar-Clark free energy for hexagonal ordering, and phase field free energy for crystal solidification. Although nematic constituents have no smectic phase, the complexation between these constituent liquid crystal molecules in their mixture resulted in a more stable ordered phase such as smectic A or B phases. Various phase transitions of crystal-smectic, smectic-nematic, and nematic-isotropic phases have been determined by minimizing the above combined free energies with respect to each order parameter of these mesophases. By changing the strengths of anisotropic interaction and hexagonal interaction parameters, the present model captures the induced smectic A or smectic B phases of the binary nematic mixtures. Of particular importance is the fact that the calculated phase diagrams show remarkable agreement with the experimental phase diagrams of binary nematic liquid crystal mixtures involving induced smectic A or induced smectic B phase.
Phase diagram of highly asymmetric binary hard-sphere mixtures.
Dijkstra, M; van Roij, R; Evans, R
1999-05-01
We study the phase behavior and structure of highly asymmetric binary hard-sphere mixtures. By first integrating out the degrees of freedom of the small spheres in the partition function we derive a formal expression for the effective Hamiltonian of the large spheres. Then using an explicit pairwise (depletion) potential approximation to this effective Hamiltonian in computer simulations, we determine fluid-solid coexistence for size ratios q=0.033, 0.05, 0.1, 0.2, and 1.0. The resulting two-phase region becomes very broad in packing fractions of the large spheres as q becomes very small. We find a stable, isostructural solid-solid transition for q0 the phase diagram mimics that of the sticky-sphere system. As expected, the radial distribution function g(r) and the structure factor S(k) of the effective one-component system show no sharp signature of the onset of the freezing transition and we find that at most points on the fluid-solid boundary the value of S(k) at its first peak is much lower than the value given by the Hansen-Verlet freezing criterion. Direct simulations of the true binary mixture of hard spheres were performed for q > or =0.05 in order to test the predictions from the effective Hamiltonian. For those packing fractions of the small spheres where direct simulations are possible, we find remarkably good agreement between the phase boundaries calculated from the two approaches-even up to the symmetric limit q=1 and for very high packings of the large spheres, where the solid-solid transition occurs. In both limits one might expect that an approximation which neglects higher-body terms should fail, but our results support the notion that the main features of the phase equilibria of asymmetric binary hard-sphere mixtures are accounted for by the effective pairwise depletion potential description. We also compare our results with those of other theoretical treatments and experiments on colloidal hard-sphere mixtures.
A phase diagram for fluid-driven sediment trasport
Clark, Abe
When a fluid flows laterally over a granular bed, grains may be transported with the flow. This process shapes much of the natural world. The boundary between states with and without grain motion has been studied for decades. However, this boundary is not well understood, since the process whereby grains are transported involves the coupling of several complex phenomena: turbulent fluid flow near a rough boundary, Darcy flow through the pore structure of the granular bed, the yield strength of granular beds comprised of frictional grains with irregular shape, and inertial effects of grains that become entrained in the flow. In order to clarify the essential physics that governs the onset of granular motion, we study this process computationally by including only the minimal features and then adding complexities one by one. We start with a simple numerical model that includes only gravity, grain-grain interactions that are repulsive and frictionless, and a purely horizontal viscous fluid flow. By varying the fluid flow rate and the effective viscosity, we find behavior that is qualitatively consistent with a large collection of experimental data known as the Shields curve. Thus, our results suggest that the main features of this curve result from a competition between grain inertia and viscous damping. We find this phase diagram to be qualitatively insensitive to secondary effects, such as friction, irregular grain shape, and restitution losses. Funded by U.S. Army Research Office under Grant No. W911NF-14-1-0005.
Global phase diagram of a doped Kitaev-Heisenberg model
Energy Technology Data Exchange (ETDEWEB)
Okamoto, Satoshi [ORNL
2013-01-01
The global phase diagram of a doped Kitaev-Heisenberg model is studied using an $SU(2)$ slave-boson mean-field method. Near the Kitaev limit, $p$-wave superconducting states which break the time-reversal symmetry are stabilized as reported by You {\\it et al.} [Phys. Rev. B {\\bf 86}, 085145 (2012)] irrespective of the sign of the Kitaev interaction. By further doping, a $d$-wave superconducting state appears when the Kitaev interaction is antiferromagnetic, while another $p$-wave superconducting state appears when the Kitaev interaction is ferromagnetic. This $p$-wave superconducting state does not break the time-reversal symmetry as reported by Hyart {\\it et al.} [Phys. Rev. B {\\bf 85}, 140510 (2012)], and such a superconducting state also appears when the antiferromagnetic Kitaev interaction and the ferromagnetic Heisenberg interaction compete. This work, thus, demonstrates the clear difference between the antiferromagnetic Kitaev model and the ferromagnetic Kitaev model when carriers are doped while these models are equivalent in the undoped limit, and how novel superconducting states emerge when the Kitaev interaction and the Heisenberg interaction compete.
Phase Diagram and Electronic Structure of Praseodymium and Plutonium systems
Yao, Yong-Xin; Nicola, Lanata; Wang, Cai-Zhuang; Kotliar, Gabriel; Ho, Kai-Ming
2015-03-01
We apply a new implementation of LDA +Gutzwiller to calculate the zero-temperature phase diagram and electronic structure of Pr and Pu. Our study of Pr indicates that its pressure-induced volume-collapse transition would not occur without change of lattice structure -- contrarily to Ce. Our study of Pu shows that the most important effect originating the differentiation between the equilibrium densities of its allotropes is the competition between the Peierls effect and the Madelung interaction. However, the proper treatment of electron correlation effects is crucial to reach good agreement with experiment. A similar interplay between correlation effects and bands structure is also displayed in Pr, and might emerge in even greater generality. N.L. and G.K. supported by U.S. DOE BES under Grant No. DE-FG02- 99ER45761. Research at Ames Lab supported by the U.S. DOE, Office of BES, DMSE, Ames Laboratory is operated for the U.S. DOE by Iowa State University under Contract No. DE-AC02-07CH11358.
Coformer screening using thermal analysis based on binary phase diagrams.
Yamashita, Hiroyuki; Hirakura, Yutaka; Yuda, Masamichi; Terada, Katsuhide
2014-08-01
The advent of cocrystals has demonstrated a growing need for efficient and comprehensive coformer screening in search of better development forms, including salt forms. Here, we investigated a coformer screening system for salts and cocrystals based on binary phase diagrams using thermal analysis and examined the effectiveness of the method. Indomethacin and tenoxicam were used as models of active pharmaceutical ingredients (APIs). Physical mixtures of an API and 42 kinds of coformers were analyzed using Differential Scanning Calorimetry (DSC) and X-ray DSC. We also conducted coformer screening using a conventional slurry method and compared these results with those from the thermal analysis method and previous studies. Compared with the slurry method, the thermal analysis method was a high-performance screening system, particularly for APIs with low solubility and/or propensity to form solvates. However, this method faced hurdles for screening coformers combined with an API in the presence of kinetic hindrance for salt or cocrystal formation during heating or if there is degradation near the metastable eutectic temperature. The thermal analysis and slurry methods are considered complementary to each other for coformer screening. Feasibility of the thermal analysis method in drug discovery practice is ensured given its small scale and high throughput.
Condensation phase diagrams for lipid-coated perfluorobutane microbubbles.
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.
Phase diagram for rotating compact stars with two high density phases
Blaschke, David B; Poghosyan, G
2002-01-01
For the classification of rotating compact stars with two high density phases a phase diagram in the angular velocity (Omega) - baryon number (N) plane is investigated. The dividing line N_crit(Omega) between configurations with one and two phases is correlated to a local maximum of the moment of inertia and can thus be subject to experimental verification by observation of the rotational behavior of accreting compact stars. Another characteristic line, which also can be measured is the transition line to black holes that of the maximum mass configurations. The positions and the shape of these lines are sensitive to changes in the equation of state (EoS) of stellar matter. A comparison of the regional structure of phase diagrams is performed for polytropic and relativistic mean field type EoS and correlations between the topology of the transition lines and the properties of two-phase EoS are obtained. Different scenarios of compact star evolution are discussed as trajectories in the phase diagram. It is show...
One-Component Pressure-Temperature Phase Diagrams in the Presence of Air
Andrade-Gamboa, Julio; Martire, Daniel O.; Donati, Edgardo R.
2010-01-01
One-component phase diagrams are good approximations to predict pressure-temperature ("P-T") behavior of a substance in the presence of air, provided air pressure is not much higher than the vapor pressure. However, at any air pressure, and from the conceptual point of view, the use of a traditional "P-T" phase diagram is not strictly correct. In…
New aspects of the QCD phase transition in proto-neutron stars and core-collapse supernovae
Hempel, Matthias; Heinimann, Oliver; Yudin, Andrey; Iosilevskiy, Igor; Liebendörfer, Matthias; Friedrich-Karl, Thielemann
2017-06-01
The QCD phase transition from hadronic to deconfined quark matter is found to be a so-called “entropic” phase transition, characterized, e.g., by a negative slope of the phase transition line in the pressure-temperature phase diagram. In a first part of the present proceedings it is discussed that entropic phase transitions lead to unusual thermal properties of the equation of state (EoS). For example one finds a loss of pressure (a “softening”) of the proto-neutron star EoS with increasing entropy. This can lead to a novel, hot third family of compact stars, which exists only in the early proto-neutron star phase. Such a hot third family can trigger explosions of core-collapse supernovae. However, so far this special explosion mechanism was found to be working only for EoSs which are not compatible with the 2 M⊙ constraint for the neutron star maximum mass. In a second part of the proceeding it is discussed which quark matter parameters could be favorable for this explosion mechanism, and have sufficiently high maximum masses at the same time.
Gupta, H.; Morral, J. E.; Nowotny, H.
1986-01-01
A procedure is introduced which can be used to draw isothermal sections from a multicomponent phase diagram in a matter of minutes, regardless of the diagram complexity. In the proposed method, the zero phase fraction (ZPF) lines are drawn separately for all phases existing in the system; by overlapping these ZPF lines, the desired section is obtained. Two examples - with five components and eight components - are given to illustrate the method. Regarding the second example, it is noted that although the final diagram may be altered to create discontinuities in slope at intersection points, the diagram remains unchanged from a topological standpoint. Thus, the overlapping ZPF lines supply all the information needed to construct complex diagrams. Even if many more phases and components are involved, the final diagram can be drawn with equal facility.
Ab initio molecular crystal structures, spectra, and phase diagrams.
Hirata, So; Gilliard, Kandis; He, Xiao; Li, Jinjin; Sode, Olaseni
2014-09-16
Conspectus Molecular crystals are chemists' solids in the sense that their structures and properties can be understood in terms of those of the constituent molecules merely perturbed by a crystalline environment. They form a large and important class of solids including ices of atmospheric species, drugs, explosives, and even some organic optoelectronic materials and supramolecular assemblies. Recently, surprisingly simple yet extremely efficient, versatile, easily implemented, and systematically accurate electronic structure methods for molecular crystals have been developed. The methods, collectively referred to as the embedded-fragment scheme, divide a crystal into monomers and overlapping dimers and apply modern molecular electronic structure methods and software to these fragments of the crystal that are embedded in a self-consistently determined crystalline electrostatic field. They enable facile applications of accurate but otherwise prohibitively expensive ab initio molecular orbital theories such as Møller-Plesset perturbation and coupled-cluster theories to a broad range of properties of solids such as internal energies, enthalpies, structures, equation of state, phonon dispersion curves and density of states, infrared and Raman spectra (including band intensities and sometimes anharmonic effects), inelastic neutron scattering spectra, heat capacities, Gibbs energies, and phase diagrams, while accounting for many-body electrostatic (namely, induction or polarization) effects as well as two-body exchange and dispersion interactions from first principles. They can fundamentally alter the role of computing in the studies of molecular crystals in the same way ab initio molecular orbital theories have transformed research practices in gas-phase physical chemistry and synthetic chemistry in the last half century. In this Account, after a brief summary of formalisms and algorithms, we discuss applications of these methods performed in our group as compelling
Collins Model and Phase Diagram of 2D Ternary System
Institute of Scientific and Technical Information of China (English)
XIE Chuan-Mei; CHEN Li-Rong
2004-01-01
The Collins model is introduced into the two-dimensional (2D) alternative ternary system having the Lennard-Jones (L-J) potential. The Gibbs free energy of this ternary system is calculated, and according to thermodynamic theory, a group of equations that determine the solid-liquid diagram of ternary system are derived, some isothermal sectional diagrams of the 2D ternary system are obtained. The results are quite similar to the behavior of three-dimensional substances.
Exotic axion cosmology in theories with phase transitions below the QCD scale.
Kaplan, David B; Zurek, Kathryn M
2006-02-03
We show that axion phenomenology may be significantly different than conventionally assumed in theories which exhibit late phase transitions (below the QCD scale). In such theories, one can find multiple pseudoscalars with axionlike couplings to matter, including a string scale axion, whose decay constant far exceeds the conventional cosmological bound. Such theories have several dark matter candidates.
Surface energy from order parameter profile: At the QCD phase transition
Frei, Z.; Patkos, A.
1989-01-01
The order parameter profile between coexisting confined and plasma regions at the quantum chromodynamic (QCD) phase transition is constructed. The dimensionless combination of the surface energy (Sigma) and the correlation length (Zeta) is estimated to be Sigma Zeta 3 approximately equals 0.8.
Phase of the complex functional determinant in QCD at small chemical potential
Fraga, E S
2008-01-01
We construct an effective action for QCD by expanding the quark determinant in powers of the chemical potential at finite temperature in the case of massless quarks. To cut the infinite series we adopt the Weinberg power counting criterium. We compute the minimal effective action ($\\sim p^4$), expanding in the external momentum, which implies the use of the Hard Thermal Loop approximation. Our main result is a gauge invariant expression for the phase of the functional determinant in QCD. Implications for lattice simulations are briefly discussed.
Closed-loop phase diagrams, vaporization, and multicriticality in binary liquid mixtures
Caflisch, Robert G.; Walker, James S.
1983-09-01
The coupled Potts-Ising models of Walker and Vause, which successfully describe closed-loop phase diagrams in hydrogen-bonding mixtures, are generalized to encompass the vapor phase, and are studied using position-space renormalization-group techniques. Global phase diagrams are generated, exhibiting such features as miscibility-immiscibility criticality, liquid-vapor critical points, critical end points, and bicritical and tricritical points. In addition, new types of phase diagrams are found, involving upper and lower azeotropes, for example, which are expected to be physically realizable in experimental systems.
Phase Diagram of the Gross-Neveu Model: Exact Results and Condensed Matter Precursors
Schnetz, O; Urlichs, K; Schnetz, Oliver; Thies, Michael; Urlichs, Konrad
2004-01-01
Recently the revised phase diagram of the (large N) Gross-Neveu model in 1+1 dimensions with discrete chiral symmetry has been determined numerically. It features three phases, a massless and a massive Fermi gas and a kink-antikink crystal. Here we investigate the phase diagram by analytical means, mapping the Dirac-Hartree-Fock equation onto the non-relativistic Schroedinger equation with the (single gap) Lame potential. It is pointed out that mathematically identical phase diagrams appeared in the condensed matter literature some time ago in the context of the Peierls-Froehlich model and ferromagnetic superconductors.
PHASE DIAGRAMS OF SODIUM SULFATE AND SODIUM CHROMATE TO 45 KBAR.
The phase diagrams of NaSO4 and Na2CrO4 were determined to 45 kbar. Two new high-pressure phases were found for Na2SO4. Eight different solid... phase diagrams of Na2SO4 and Na2CrO4 are strikingly similar, and there are reasons for believing that every known polymorph of Na2CrO4 has an isostructural counterpart in the phase diagram of Na2SO4. (Author)
Phase diagrams properties of the mixed traffic flow on a crossroad
Li, Qi-Lang; Wang, Bing-Hong; Liu, Mu-Ren
2010-11-01
Based on the Ishibashi and Fukui crossroad traffic flow model [Y. Ishibashi and M. Fukui. J. Phys. Soc. Japan. 70 (2001) 2793], mixed traffic flow (i.e., the fast and slow vehicles with different maximum velocities are mixed) is investigated in this work. According to the numerical simulation results and the principle for constructing the phase diagram, phase diagrams for mixed traffic flow are constructed. It is noted that the topology of these phase diagrams is similar to that of phase diagrams for homogeneous vehicles (which refers to slow vehicles only). From the phase diagrams, it is evident that mixed traffic flow is influenced by the mixing rate f (fraction of slow and fast vehicles) in regions II and V, but not in other regions. Although a mixture of fast and slow vehicles is introduced in the crossroad traffic flow model, the separation between phases in the phase diagrams remains linear. For a given q (the vehicle density on the northbound road), one flow plateau appears in regions IIx or IVy, while two maximum flow plateaus appear in region V in each of the phase diagrams. The maximum flow values in region V reflect the maximum traffic capacity for the traffic system as defined in this work. Since mixed traffic flow is a common phenomenon in real traffic, this work may offer help in real traffic simulations and traffic management.
Axion field and the quark nugget's formation at the QCD phase transition
Liang, Xunyu
2016-01-01
We study a testable dark matter (DM) model outside of the standard WIMP paradigm in which the observed ratio $\\Omega_{\\rm dark} \\simeq \\Omega_{\\rm visible}$ for visible and dark matter densities finds its natural explanation as a result of their common QCD origin when both types of matter (DM and visible) are formed at the QCD phase transition and both are proportional to $\\Lambda_{\\rm QCD}$. Instead of conventional "baryogenesis" mechanism we advocate a paradigm when the "baryogenesis" is actually a charge separation process which always occur in the presence of the $\\cal{CP}$ odd axion field $a(x)$. In this scenario the global baryon number of the Universe remains zero, while the unobserved anti-baryon charge is hidden in form of heavy nuggets, similar to Witten's strangelets and compromise the DM of the Universe. We argue that the nuggets will be inevitably produced during the QCD phase transition as a result of Kibble-Zurek mechanism on formation of the topological defects during a phase transition. Relev...
Polyakov-Nambu-Jona-Lasinio phase diagrams and quarkyonic phase from order parameters
Dutra, M; Delfino, A; Frederico, T; Malheiro, M
2013-01-01
We show that the magnitude of the order parameters in Polyakov-Nambu-Jona-Lasinio (PNJL) model, given by the quark condensate and the Polyakov loop, can be used as a criterium to clearly identify, without ambiguities, phases and boundaries of the strongly interacting matter, namely, the broken/restored chiral symmetry, and confinement/deconfinement regions. This structure is represented by the projection of the order parameters in the temperature-chemical potential plane, which allows a clear identification of pattern changes in the phase diagram. Such a criterium also enables the emergence of a quarkyonic phase even in the two-flavor system. We still show that this new phase diminishes due to the influence of an additional vector-type interaction in the PNJL phase diagrams, and is quite sensitive to the effect of the change of the $T_0$ parameter in the Polyakov potential. Finally, we show that the phases and boundaries constructed by our method indicate that the order parameters should be more strongly corr...
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.
QCD Phase-transition and chemical freezeout in nonzero magnetic field at NICA
Tawfik, Abdel Nasser
2016-01-01
Because of relativistic off-center motion of the charged spectators and the local momentum-imbalance experienced by the participants, a huge magnetic field is likely generated in high-energy collisions. The influence of such short-lived magnetic field on the QCD phase-transition(s) shall be analysed. From Polyakov linear-sigma model, we study the chiral phase-transition and the magnetic response and susceptibility in dependence on temperature, density and magnetic field strength. The systematic measurements of the phase-transition characterizing signals, such as the fluctuations, the dynamical correlations and the in-medium modifications of rho-meson, for instance, in different interacting systems and collision centralities are conjectured to reveal an almost complete description for the QCD phase-structure and the chemical freezeout. We limit the discussion to NICA energies.
The phase-shift of isospin-2 pi-pi scattering from lattice QCD
Energy Technology Data Exchange (ETDEWEB)
Jozef J. Dudek, Robert G. Edwards, Michael J. Peardon, David G. Richards, Christopher E. Thomas
2011-04-01
Finite-volume lattice QCD calculations offer the possibility of extracting resonance parameters from the energy-dependent elastic phase-shift computed using the L\\"uscher technique. In this letter, as a trial of the method, we report on the extraction of the non-resonant phase-shift for $S$ and $D$-wave $\\pi\\pi$ isospin-2 scattering from dynamical lattice QCD computations. We define a variational basis of operators resembling pairs of pions of definite relative momentum and extract a spectrum of excited states that maps to phase-shifts at a set of discrete scattering momenta. Computations are performed with pion masses between $400$ and $520$ MeV on multiple spatial volumes. We observe no significant quark mass dependence in the phase-shifts extracted which are in reasonable agreement with the available experimental data at low momentum.
Another mean field treatment in the strong coupling limit of lattice QCD
Ohnishi, Akira; Miura, Kohtaroh; Nakano, Takashi Z.
2011-01-01
We discuss the QCD phase diagram in the strong coupling limit of lattice QCD by using a new type of mean field coming from the next-to-leading order of the large dimensional expansion. The QCD phase diagram in the strong coupling limit recently obtained by using the monomer-dimer-polymer (MDP) algorithm has some differences in the phase boundary shape from that in the mean field results. As one of the origin to explain the difference, we consider another type of auxiliary field, which corresp...
Quasiparticle specific heats for the crystalline color superconducting phase of QCD
Casalbuoni, R; Mannarelli, M; Nardulli, G; Ruggieri, M; Stramaglia, S; 10.1016/j.physletb.2003.09.071
2003-01-01
We calculate the specific heats of quasiparticles of two-flavor QCD in its crystalline phases for low temperature. We show that for the different crystalline structures considered here there are gapless modes contributing linearly in temperature to the specific heat. We evaluate also the phonon contributions which are cubic in temperature. These features might be relevant for compact stars with an inner shell in a color superconducting crystalline phase. (21 refs).
Quasi-particle Specific Heats for the Crystalline Color Superconducting Phase of QCD
Casalbuoni, Roberto; Mannarelli, M; Nardulli, Giuseppe; Ruggieri, Marco; Stramaglia, S
2003-01-01
We calculate the specific heats of quasi-particles of two-flavor QCD in its crystalline phases for low temperature. We show that for the different crystalline structures considered here there are gapless modes contributing linearly in temperature to the specific heat. We evaluate also the phonon contributions which are cubic in temperature. These features might be relevant for compact stars with an inner shell in a color superconducting crystalline phase.
Quasi-particle specific heats for the crystalline color superconducting phase of QCD
Energy Technology Data Exchange (ETDEWEB)
Casalbuoni, R.; Gatto, R.; Mannarelli, M.; Nardulli, G.; Ruggieri, M.; Stramaglia, S
2003-11-27
We calculate the specific heats of quasi-particles of two-flavor QCD in its crystalline phases for low temperature. We show that for the different crystalline structures considered here there are gapless modes contributing linearly in temperature to the specific heat. We evaluate also the phonon contributions which are cubic in temperature. These features might be relevant for compact stars with an inner shell in a color superconducting crystalline phase.
C.A.D. representation of ternary and quaternary phase diagrams
Delao, James D.
1986-01-01
This work is concerned with the utilization of C.A.D. solid-modeling software for the computer representation of three-dimensional phase diagrams. The work was undertaken in two parts. First, the C.A.D. software (I-DEAS, by Structural Dynamics Research Corp.) was integrated with a variety of auxiliary Fortran 77 and I-DEAS language programs which were written specifically for the purpose of phase diagram representation. The capabilities of the resulting suite of software for three-dimensional phase diagram representation were developed and illustrated by the construction, display and manipulation of solid-model phase diagrams for a hypothetical quaternary eutectic system. The results of this work are discussed in some detail in the attached publication ('Solid-modeling: a C.A.D. Alternative for Three-dimensional Phase Diagram Representation'). Such a technique is of general applicability, having utility in both research and education. Secondly, using the C.A.D. technique, data from the literature (gleaned from some 70 separate publications), which represent experimentally determined phase boundaries, were combined to form solid-model representations of the CMS2-M2S-S ternary space diagram and the CMS2-CAS2-M2S-S quaternary liquidus projection (where C=CaO, M=MgO, A=Al2O3, and S=SiO2). These diagrams were utilized in a concurrent study of solidification in the CMAS system.
Modeling the thermodynamics of QCD
Energy Technology Data Exchange (ETDEWEB)
Hell, Thomas
2010-07-26
Strongly interacting (QCD) matter is expected to exhibit a multifaceted phase structure: a hadron gas at low temperatures, a quark-gluon plasma at very high temperatures, nuclear matter in the low-temperature and high-density region, color superconductors at asymptotically high densities. Most of the conjectured phases cannot yet be scrutinized by experiments. Much of the present picture - particularly concerning the intermediate temperature and density area of the phase diagram of QCD matter - is based on model calculations. Further insights come from Lattice-QCD computations. The present thesis elaborates a nonlocal covariant extension of the Nambu and Jona-Lasinio (NJL) model with built-in constraints from the running coupling of QCD at high-momentum and instanton physics at low-momentum scales. We present this model for two and three quark flavors (in the latter case paying particular attention to the axial anomaly). At finite temperatures and densities, gluon dynamics is incorporated through a gluonic background field, expressed in terms of the Polyakov loop (P). The thermodynamics of this nonlocal PNJL model accounts for both chiral and deconfinement transitions. We obtain results in mean-field approximation and beyond, including additional pionic and kaonic contributions to the chiral condensate, the pressure and other thermodynamic quantities. Finally, the nonlocal PNJL model is applied to the finite-density region of the QCD phase diagram; for three quark flavors we investigate, in particular, the dependence of the critical point appearing in the models on the axial anomaly. The thesis closes with a derivation of the nonlocal PNJL model from first principles of QCD. (orig.)
Analytical phase diagrams for colloids and non-adsorbing polymer.
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.
A composite phase diagram of structure H hydrates using Schreinemakers' geometric approach
Mehta, A.P.; Makogon, T.Y.; Burruss, R.C.; Wendlandt, R.F.; Sloan, E.D.
1996-01-01
A composite phase diagram is presented for Structure H (sH) clathrate hydrates. In this work, we derived the reactions occurring among the various phases along each four-phase (Ice/Liquid water, liquid hydrocarbon, vapor, and hydrate) equilibrium line. A powerful method (though seldom used in chemical engineering) for multicomponent equilibria developed by Schreinemakers is applied to determine the relative location of all quadruple (four-phase) lines emanating from three quintuple (five-phase) points. Experimental evidence validating the approximate phase diagram is also provided. The use of Schreinemakers' rules for the development of the phase diagram is novel for hydrates, but these rules may be extended to resolve the phase space of other more complex systems commonly encountered in chemical engineering.
The non-equilibrium phase diagrams of flow-induced crystallization and melting of polyethylene.
Wang, Zhen; Ju, Jianzhu; Yang, Junsheng; Ma, Zhe; Liu, Dong; Cui, Kunpeng; Yang, Haoran; Chang, Jiarui; Huang, Ningdong; Li, Liangbin
2016-09-09
Combining extensional rheology with in-situ synchrotron ultrafast x-ray scattering, we studied flow-induced phase behaviors of polyethylene (PE) in a wide temperature range up to 240 °C. Non-equilibrium phase diagrams of crystallization and melting under flow conditions are constructed in stress-temperature space, composing of melt, non-crystalline δ, hexagonal and orthorhombic phases. The non-crystalline δ phase is demonstrated to be either a metastable transient pre-order for crystallization or a thermodynamically stable phase. Based on the non-equilibrium phase diagrams, nearly all observations in flow-induced crystallization (FIC) of PE can be well understood. The interplay of thermodynamic stabilities and kinetic competitions of the four phases creates rich kinetic pathways for FIC and diverse final structures. The non-equilibrium flow phase diagrams provide a detailed roadmap for precisely processing of PE with designed structures and properties.
Xu, Xinhua; Wang, Xiaogang; Wu, Meifen
2014-01-01
The determination of the solid-liquid phase diagram of a binary system is always used as an experiment in the undergraduate physical chemistry laboratory courses. However, most phase diagrams investigated in the lab are simple eutectic ones, despite the fact that complex binary solid-liquid phase diagrams are more common. In this article, the…
Xu, Xinhua; Wang, Xiaogang; Wu, Meifen
2014-01-01
The determination of the solid-liquid phase diagram of a binary system is always used as an experiment in the undergraduate physical chemistry laboratory courses. However, most phase diagrams investigated in the lab are simple eutectic ones, despite the fact that complex binary solid-liquid phase diagrams are more common. In this article, the…
Energy Technology Data Exchange (ETDEWEB)
Deviren, Şeyma Akkaya, E-mail: sadeviren@nevsehir.edu.tr [Department of Science Education, Education Faculty, Nevsehir Hacı Bektaş Veli University, 50300 Nevşehir (Turkey); Deviren, Bayram [Department of Physics, Nevsehir Hacı Bektaş Veli University, 50300 Nevsehir (Turkey)
2016-03-15
The dynamic phase transitions and dynamic phase diagrams are studied, within a mean-field approach, in the kinetic Ising model on the Shastry-Sutherland lattice under the presence of a time varying (sinusoidal) magnetic field by using the Glauber-type stochastic dynamics. The time-dependence behavior of order parameters and the behavior of average order parameters in a period, which is also called the dynamic order parameters, as a function of temperature, are investigated. Temperature dependence of the dynamic magnetizations, hysteresis loop areas and correlations are investigated in order to characterize the nature (first- or second-order) of the dynamic phase transitions as well as to obtain the dynamic phase transition temperatures. We present the dynamic phase diagrams in the magnetic field amplitude and temperature plane. The phase diagrams exhibit a dynamic tricritical point and reentrant phenomena. The phase diagrams also contain paramagnetic (P), Néel (N), Collinear (C) phases, two coexistence or mixed regions, (N+C) and (N+P), which strongly depend on interaction parameters. - Highlights: • Dynamic magnetization properties of spin-1/2 Ising model on SSL are investigated. • Dynamic magnetization, hysteresis loop area, and correlation have been calculated. • The dynamic phase diagrams are constructed in (T/|J|, h/|J|) plane. • The phase diagrams exhibit a dynamic tricritical point and reentrant phenomena.
Fluctuation-induced modifications of the phase structure in (2 +1 )-flavor QCD
Rennecke, Fabian; Schaefer, Bernd-Jochen
2017-07-01
The low-energy sector of QCD with Nf=2 +1 dynamical quark flavors at nonvanishing chemical potential and temperature is studied with a nonperturbative functional renormalization group method. The analysis is performed in different truncations in order to explore fluctuation-induced modifications of the quark-meson correlations as well as quark and meson propagators on the chiral phase transition of QCD. Depending on the chosen truncation, significant quantitative implications on the phase transition are found. In the chirally symmetric phase, the quark flavor composition of the pseudoscalar (η ,η')-meson complex turns out to be drastically sensitive to fluctuation-induced modifications in the presence of the axial U (1 )A anomaly. This has important phenomenological consequences for the assignment of chiral partners to these mesons.
Fluctuation-induced modifications of the phase structure in (2+1)-flavor QCD
Rennecke, Fabian
2016-01-01
The low-energy sector of QCD with $N_f = 2\\!+\\!1$ dynamical quark flavors at non-vanishing chemical potential and temperature is studied with a non-perturbative functional renormalization group method. The analysis is performed in different truncations in order to explore fluctuation-induced modifications of the quark-meson correlations as well as quark and meson propagators on the chiral phase transition of QCD. Depending on the chosen truncation significant quantitative implications on the phase transition are found. In the chirally symmetric phase, the quark flavor composition of the pseudoscalar $(\\eta,\\eta^{\\prime})$-meson complex turns out to be drastically sensitive to fluctuation-induced modifications in the presence of the axial $U(1)_A$ anomaly. As a consequence, the pseudoscalar mixing angle tends to a novel anti-ideal mixing at large temperatures.
New thresholds for Primordial Black Hole formation during the QCD phase transition
Sobrinho, J L G; Gonçalves, A L
2016-01-01
Primordial Black Holes (PBHs) might have formed in the early Universe as a consequence of the collapse of density fluctuations with an amplitude above a critical value $\\delta_{c}$: the formation threshold. Although for a radiation-dominated Universe $\\delta_{c}$ remains constant, if the Universe experiences some dust-like phases (e.g. phase transitions) $\\delta_{c}$ might decrease, improving the chances of PBH formation. We studied the evolution of $\\delta_{c}$ during the QCD phase transition epoch within three different models: Bag Model (BM), Lattice Fit Model (LFM), and Crossover Model (CM). We found that the reduction on the background value of $\\delta_{c}$ can be as high as $77\\%$ (BM), which might imply a $\\sim10^{-10}$ probability of PBHs forming at the QCD epoch.
Ilker, Efe; Berker, A Nihat
2014-12-01
Distinctive orderings and phase diagram structures are found, from renormalization-group theory, for odd q-state clock spin-glass models in d=3 dimensions. These models exhibit asymmetric phase diagrams, as is also the case for quantum Heisenberg spin-glass models. No finite-temperature spin-glass phase occurs. For all odd q≥5, algebraically ordered antiferromagnetic phases occur. One such phase is dominant and occurs for all q≥5. Other such phases occupy small low-temperature portions of the phase diagrams and occur for 5≤q≤15. All algebraically ordered phases have the same structure, determined by an attractive finite-temperature sink fixed point where a dominant and a subdominant pair states have the only nonzero Boltzmann weights. The phase transition critical exponents quickly saturate to the high q value.
Calculated Phase Diagram for the γ⇌α Transition in Ce
DEFF Research Database (Denmark)
Johansson, Børje; Abrikosov, I. A.; Aldén, Magnus
1995-01-01
We have calculated the pressure-temperature phase diagram of the γ⇌α isostructural transition in Ce on the basis of the Mott transition model. The theory correctly describes the linear variation of the transition temperature with pressure and the existence of a critical point. The quantitative...... agreement with the experimental diagram is good. The influence of different free energy contributions (configurational, magnetic, and vibrational) on the phase transition in Ce is discussed....
Phase Diagrams and Tricritical Behaviour of the Spin-2 Ising Model in a Longitudinal Random Field
Institute of Scientific and Technical Information of China (English)
LIANG Ya-Qiu; WEI Guo-Zhu; ZHANG Qi; SONG Guo-Li
2004-01-01
@@ Within the framework of the effective-field theory with correlations, we study the ferromagnetic spin-2 randomfield Ising model (RFIM) in the presence of a crystal field on honeycomb (z = 3), square (z = 4) and simple cubic (z = 6) lattices. The effects of the crystal field and the longitudinal random field on the phase diagrams are investigated. Some characteristic features of the phase diagrams, such as the tricritical phenomena, reentrant phenomena and existence of two tricritical points, are found.
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.
Energy Technology Data Exchange (ETDEWEB)
Ban, S. [Deptartment of Physics, University of Nagoya, Nagoya, 464-8602 (Japan)]. E-mail: f060214d@mbox.nagoya-u.ac.jp; Deguchi, K. [Deptartment of Physics, University of Nagoya, Nagoya, 464-8602 (Japan); Aso, N. [Institute for Solid State Physics, University of Tokyo, Kashiwa 277-8581 (Japan); Homma, Y. [Oarai Branch, Inst. for Mater. Research, University of Tohoku, Ibaraki 311-1313 (Japan); Shiokawa, Y. [Oarai Branch, Inst. for Mater. Research, University of Tohoku, Ibaraki 311-1313 (Japan); Sato, N.K. [Deptartment of Physics, University of Nagoya, Nagoya, 464-8602 (Japan)
2007-03-15
We report a superconducting phase diagram of the ferromagnetic superconductor UGe{sub 2} investigated by AC magnetic susceptibility measurements. In contrast to previous phase diagrams, we found that the superconducting transition temperature and volume fraction show a 'M-shaped' structure as a function of pressure. From this observation, we suggest that both of two critical points will play a crucial role in the occurrence of superconductivity in UGe{sub 2}.
PHASE DIAGRAM OF GELATINE-POLYURONATE COLLOIDS: ITS APPLICATION FOR MICROENCAPSULATION AND NOT ONLY
Alexei Baerle; Olga Dimova; Irina Urumoglova; Pavel Tatarov; Larisa Zadorojnai
2016-01-01
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 mi...
The 2D Alternative Binary L—J System：Solid—Liquid Phase Diagram
Institute of Scientific and Technical Information of China (English)
ZHANGZhi; CHENLi－Rong
2002-01-01
The Lennard-Jones potential is introduced into the Collins model and is generalized to the two-dimensional alternative binary system.The Gibbs free energy of the binary system is calculated.According to the thermodynamic conditions of solid-liquid equilibrium,the “cigar-type ” phase diagram and the phase diagram with a minimum are obtained.The results are quite analogous to the behavior of three-dimensional substances.
The 2D Alternative Binary L-J System: Solid-Liquid Phase Diagram
Institute of Scientific and Technical Information of China (English)
ZHANG Zhi; CHEN Li-Rong
2002-01-01
The Lennard-Jones potential is introduced into the Collins model and is generalized to the two-dimensionalalternative binary system. The Gibbs free energy of the binary system is calculated. According to the thermodynamicconditions of solid-liquid equilibrium, the "cigar-type" phase diagram and the phase diagram with a minimum areobtained. The results are quite analogous to the behavior of three-dimensional substances.
Isothermal section (500 ℃) of phase diagram of Nd-Al-Si ternary system
Institute of Scientific and Technical Information of China (English)
龙志林; 周益春; 庄应烘; 陈荣贞; 刘敬旗
2001-01-01
The isothermal section of the phase diagram of the ternary system Nd-Al-Si at 500 ℃ (Nd≤50%, mole fraction) has been constructed on the basis of the data obtained by X-ray diffraction analysis, differential thermal analysis, metallographic examination, chemical analysis and electron micro-probe analysis. The obtained diagram consists of 11 single-phase regions, 21 two-phase regions and 11 three-phase regions. There exist two limit solid solutions. The intermetallic compound NdAl1.5Si0.5 has not been found in this section. No evidence of new phase has been observed in this work.
The topological phase diagram of cimetidine: A case of overall monotropy.
Céolin, R; Rietveld, I B
2017-03-01
Cimetidine is a histamine H2-receptor antagonist used against peptic ulcers. It is known to exhibit crystalline polymorphism. Forms A and D melt within 0.35 degrees from each other and the enthalpies of fusion are similar as well. The present paper demonstrates how to construct a pressure-temperature phase diagram with only calorimetric and volumetric data available. The phase diagram provides the stability domains and the phase equilibria for the phases A, D, the liquid and the vapor. Cimetidine is overall monotropic with form D the only stable solid phase.
Phase diagrams and magnetic properties of tri-layer superlattices: Mean field study
Naji, S.; Belhaj, A.; Labrim, H.; Bahmad, L.; Benyoussef, A.; El Kenz, A.
2014-04-01
Motivated by spintronic device applications, we engineer a superlattice model based on periodic tri-layers consisting of spins σ={1}/{2}, S=1 and q={3}/{2} residing on the sites of a square lattice, interacting with an external magnetic field. We study its phase diagrams and magnetic properties. We determine the corresponding ground state phase diagrams. Then, we show that this Ising lattice model exhibits a ferromagnetic phase F1, two ferrimagnetic phases F2, F3 and an antiferromagnetic phase F4. It is found that the magnetic behaviors depend on the moduli space controlled by the exchange interaction couplings. More precisely, the hysteresis loops have been established.
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.
Unveiling the cosmological QCD phase transition through the eLISA/NGO detector
Roque, V R C Mourão
2013-01-01
We study the evolution of turbulence in the early universe at the QCD epoch using a state-of-the-art equation of state derived from lattice QCD simulations. Since the transition is a crossover we assume that temperature and velocity fluctuations were generated by some event in the previous history of the Universe and survive until the QCD epoch due to the extremely large Reynolds number of the primordial fluid. The fluid at the QCD epoch is assumed to be non-viscous, based on the fact that the viscosity per entropy density of the quark gluon plasma obtained from heavy-ion collision experiments at the RHIC and the LHC is extremely small. Our hydrodynamic simulations show that the velocity spectrum is very different from the Kolmogorov power law considered in studies of primordial turbulence that focus on first order phase transitions. This is due to the fact that there is no continuous injection of energy in the system and the viscosity of the fluid is negligible. Thus, as kinetic energy cascades from the larg...
Gluonic phases, vector condensates, and exotic hadrons in dense QCD
Gorbar, E V; Miransky, V A; Hashimoto, Michio
2007-01-01
We study the dynamics in phases with vector condensates of gluons (gluonic phases) in dense two-flavor quark matter. These phases yield an example of dynamics in which the Higgs mechanism is provided by condensates of gauge (or gauge plus scalar) fields. Because vacuum expectation values of spatial components of vector fields break the rotational symmetry, it is naturally to have a spontaneous breakdown both of external and internal symmetries in this case. In particular, by using the Ginzburg-Landau approach, we establish the existence of a gluonic phase with both the rotational symmetry and the electromagnetic U(1) being spontaneously broken. In other words, this phase describes an anisotropic medium in which the color and electric superconductivities coexist. It is shown that this phase corresponds to a minimum of the Ginzburg-Landau potential and, unlike the two-flavor superconducting (2SC) phase, it does not suffer from the chromomagnetic instability. The dual (confinement) description of its dynamics is...
Evidence of a new crystalline phase in U–Gd–O phase diagram
Energy Technology Data Exchange (ETDEWEB)
Pieck, Darío [CEA, DEN, DEC, SESC – Laboratoire des Lois de Comportement des Combustibles (France); Desgranges, Lionel, E-mail: lionel.desgranges@cea.fr [CEA, DEN, DEC, SESC – Laboratoire des Lois de Comportement des Combustibles (France); Matheron, Pierre [CEA, DEN, DEC, SPUA – Laboratoire Combustibles Uranium (France); Palancher, Hervé [CEA, DEN, DEC, SESC – Laboratoire des Lois de Comportement des Combustibles (France)
2015-06-15
The U–Gd–O phase diagram was investigated in its high Gd content part. Several samples with the general (U{sub 1−y}, Gd{sub y})O{sub 2±x} composition were prepared by sintering under Ar H{sub 2} 5% atmosphere. The samples were characterized by SEM–EDS and X-ray diffraction. A new cubic crystalline phase was evidenced at high a Gd content that was not expected from previous literature. Rietveld refinements showed that its crystalline structure is related to C-Gd{sub 2}O{sub 3} phase. The existence of this compound has to be taken into account in the sintering of (U,Gd)O{sub 2} nuclear fuel.
The thermodynamic fundamentals relating phase equilibria in binary and ternary systems to the thermodynamic properties of the phases are reviewed and...system demonstrate the application of the equations for extracting thermodynamic data from phase diagrams and also for the prediction of phase equilibria .
Comparison of actual vs. synthesized ternary phase diagrams for solutes of cryobiological interest.
Kleinhans, F W; Mazur, Peter
2007-04-01
Phase diagrams are of great utility in cryobiology, especially, those consisting of a cryoprotective agent (CPA) dissolved in a physiological salt solution. These ternary phase diagrams consist of plots of the freezing points of increasing concentrations of solutions of cryoprotective agents (CPA) plus NaCl. Because they are time-consuming to generate, ternary diagrams are only available for a small number of CPAs. We wanted to determine whether accurate ternary phase diagrams could be synthesized by adding together the freezing point depressions of binary solutions of CPA/water and NaCl/water which match the corresponding solute molality concentrations in the ternary solution. We begin with a low concentration of a solution of CPA+salt of given R (CPA/salt) weight ratio. Ice formation in that solution is mimicked by withdrawing water from it which increases the concentrations of both the CPA and the NaCl. We compute the individual solute concentrations, determine their freezing points from published binary phase diagrams, and sum the freezing points. These yield the synthesized ternary phase diagram for a solution of given R. They were compared with published experimental ternary phase diagrams for glycerol, dimethyl sulfoxide (DMSO), sucrose, and ethylene glycol (EG) plus NaCl in water. For the first three, the synthesized and experimental phase diagrams agreed closely, with some divergence occurring as wt% concentrations exceeded 30% for DMSO and 55% for glycerol, and sucrose. However, in the case of EG there were substantial differences over nearly the entire range of concentrations which we attribute to systematic errors in the experimental EG data. New experimental EG work will be required to resolve this issue.
Finite-temperature phase transition of $N_{f}=3$ QCD with exact center symmetry
Misumi, Tatsuhiro; Itou, Etsuko
2015-01-01
For the $Z_{3}$-symmetric lattice QCD-like theory ($Z_3$-QCD), in which $SU(3)$ gauge theory is coupled with three fundamental Wilson quarks with flavor-dependent twisted boundary conditions, we calculate the expectation values of Polyakov loop and chiral condensate as functions of temperature on $16^3 \\times4$ and $20^3 \\times 4$ lattices with $m_{PS}/m_{V}=0.70$ fixed. We find the first-order phase transition with respect to the $Z_{3}$ center symmetry, where the Polyakov loop exhibits a hysteresis depending on the initial condition of thermalization process. We also show that the crossover behavior of chiral condensate around the critical temperature of the center transition and the manifestation of flavor symmetry breaking in the high-temperature phase.
Liu, Yizhuang
2015-01-01
We show that the QCD Dirac spectrum at finite chemical potential using a 2-matrix model in the spontaneously broken phase, is amenable to a generic 2-dimensional effective action on a curved eigenvalue manifold. The eigenvalues form a droplet with strong screening and non-linear plasmons. The droplet is threaded by a magnetic vortex which is at the origin of a Berry phase. The adiabatic transport in the droplet maps onto the one in the fractional quantum Hall effect, suggesting that composite fermions at half filling are Dirac particles. We use this observation to argue for two novel anomalous effects in the edge transport of composite fermions, and conversely on a novel contribution to the QCD quark condensate in a rotating frame.
Low pressure phase diagram of CeCoGe{sub 3}
Energy Technology Data Exchange (ETDEWEB)
Mizoo, Masakazu; Nishioka, Takashi; Kato, Harukazu; Matsumura, Masahiro, E-mail: nisioka@kochi-u.ac.jp [Graduate School of Integrated Arts and Sciences, Kochi University, Kochi 780-8520 (Japan)
2011-01-01
We have performed measurements of the Hall magnetization and electrical resistivity on a pressure-induced antiferromagnetic heavy fermion superconductor CeCoGe{sub 3} at pressures up to {approx}1.7 GPa, which crystallizes in the tetragonal BaNiSn{sub 3}-type structure without inversion symmetry. We have clarified that five successive phase transitions appear at ambient pressure. As pressure is applied, these transitions approach one another until {approx}1.2 GPa, and then separate again. We have also found another phase transition emerges above {approx}0.5 GPa, which is consistent with a recent Co-NQR study. From these results, we propose a low pressure P-T phase diagram, which contains at least eight ordered phases below {approx}2 GPa. This phase diagram is consistent with a recent reported high pressure phase diagram.
Gluonic phase in neutral two-flavor dense QCD
Gorbar, E V; Miransky, V A; Hashimoto, Michio
2006-01-01
In the Ginzburg-Landau approach, we describe a new phase in neutral two-flavor quark matter in which gluonic degrees of freedom play a crucial role. We call it a gluonic phase. In this phase gluonic dynamics cure a chromomagnetic instability in the 2SC solution and lead to spontaneous breakdown of the color gauge symmetry, the electromagnetic U(1), and the rotational SO(3). In other words, the gluonic phase describes an anisotropic medium in which the color and electric superconductivities coexist. Because most of the initial symmetries in this system are spontaneously broken, its dynamics is very rich.
Phase diagram of electron systems near the superconductor-insulator transition.
Pokrovsky, V L; Falco, G M; Nattermann, T
2010-12-31
The zero temperature phase diagram of Cooper pairs exposed to disorder and a magnetic field is determined theoretically from a variational approach. Four distinct phases are found: a Bose and a Fermi insulating, a metallic, and a superconducting phase, respectively. The results explain the giant negative magnetoresistance found experimentally in In-O, TiN, Be and high-T(c) materials.
Phase diagram of a three-sublattice mixed ferro-ferrimagnetic Heisenberg system
Mert, H. Şevki; Mert, Gülistan
2013-10-01
We present a numerical study of a three-sublattice mixed ferro-ferrimagnetic Heisenberg system. Green's function technique is used to calculate the magnetization as a function of temperature. The technique involves the random phase approximation and Anderson-Callen's decoupling. We obtain phase diagram and the first-order phase transition.
Nanostructures and phase diagrams of ABC star triblock copolymers in pore geometries.
Li, Shiben; Qiu, Wenjuan; Zhang, Linxi; Liang, Haojun
2012-03-28
The nanostructures and phase diagrams of ABC star triblock copolymers in pore geometries are investigated using the real-space self-consistent field theory in two-dimensional space. Two types of pores with neutral surfaces, namely, pores with small and large diameters, are considered. A rich variety of nanostructures are exhibited by the ABC star triblock copolymers in these two types of pores, which differ from those observed in bulk and in other confinements. These structures include perpendicular undulating lamellae, concentric core-shell cylinders, polygonal tiling with cylindrical arrangements, and other complex structures. Triangular phase diagrams for the ABC star triblock copolymers are constructed. The small pores clearly affect the corner and central space of the phase diagrams by distorting the bulk structures into concentric arrangements. Meanwhile, the large pores induce the transformation of bulk structures into concentric structures in most of the phase space, but slightly affect the structures at the center of the phase diagrams. Furthermore, the order-order and order-disorder phase transitions, as well as the stable and metastable phases, in the triangular phase diagrams are examined by analyzing their free energies. These observations on the ABC star triblock copolymers in the pore geometries provide a deeper insight into the behavior of macromolecules in a confined system.
Université de Genève
2005-01-01
Ecole de physique Département de physique nucléaire et corspusculaire 24, Quai Ernest-Ansermet 1211 GENEVE 4 TéL: (022) 379 62 73 Fax: (022) 379 69 92 Wednesday 1st June 2005 PARTICLE PHYSICS SEMINAR at 17.00 hrs - Stückelberg Auditorium The search for the QCD phase transition by Prof. Sonja Kabana, Université de Berne SEMINAIRE ANNULE ! ! ! Information : http://dpnc.unige.ch/seminaire/annonce.html Organizer : A. Cervera Villanueva
Phase diagram of dilute nuclear matter: Unconventional pairing and the BCS-BEC crossover
Energy Technology Data Exchange (ETDEWEB)
Stein, Martin; Sedrakian, Armen [Frankfurt Univ. (Germany). Inst. fuer Theoretische Physik
2013-07-01
We report on a comprehensive study of the phase structure of cold, dilute nuclear matter featuring a {sup 3}S{sub 1}-{sup 3}D{sub 1} condensate at non-zero isospin asymmetry, within wide ranges of temperatures and densities. We find a rich phase diagram comprising three superfluid phases, namely a LOFF phase, the ordinary BCS phase, and a heterogeneous, phase-separated BCS phase, with associated crossovers from the latter two phases to a homogeneous or phase-separated Bose-Einstein condensate of deuterons. The phase diagram contains two tri-critical points (one a Lifshitz point), which may degenerate into a single tetra-critical point for some degree of isospin asymmetry.
Thermodynamic Optimization of TmCl3-ACl (A=Na, K, Rb, Cs) Phase Diagrams
Institute of Scientific and Technical Information of China (English)
Ye Xinyu; Zhang Jing; Sun Yimin; Wang Yu; Tan Junjun
2005-01-01
From the measured phase equilibria data and experimental thermochemical properties, the TmCl3-ACl (A=Na, K, Rb, Cs) phase diagrams were optimized and calculated using the CALPHAD technique. For describing the Gibbs energies of the liquid phase in these systems, the new modified quasichemical model in the pair-approximation for short-range ordering was used. A set of thermodynamic functions was optimized and gotten based on an interactive computer-assisted analysis. The calculated phase diagrams and thermodynamic data are self-consistent.
The Cu-Li-Sn Phase Diagram: Isopleths, Liquidus Projection and Reaction Scheme
Fürtauer, Siegfried; Flandorfer, Hans
2016-01-01
The Cu-Li-Sn phase diagram was constructed based on XRD and DTA data of 60 different alloy compositions. Eight ternary phases and 14 binary solid phases form 44 invariant ternary reactions, which are illustrated by a Scheil-Schulz reaction scheme and a liquidus projection. Phase equilibria as a function of concentration and temperature are shown along nine isopleths. This report together with an earlier publication of our group provides for the first time comprehensive investigations of phase...
Low-pressure phase diagram of crystalline benzene from quantum Monte Carlo
Azadi, Sam; Cohen, R. E.
2016-08-01
We studied the low-pressure (0-10 GPa) phase diagram of crystalline benzene using quantum Monte Carlo and density functional theory (DFT) methods. We performed diffusion quantum Monte Carlo (DMC) calculations to obtain accurate static phase diagrams as benchmarks for modern van der Waals density functionals. Using density functional perturbation theory, we computed the phonon contributions to the free energies. Our DFT enthalpy-pressure phase diagrams indicate that the Pbca and P21/c structures are the most stable phases within the studied pressure range. The DMC Gibbs free-energy calculations predict that the room temperature Pbca to P21/c phase transition occurs at 2.1(1) GPa. This prediction is consistent with available experimental results at room temperature. Our DMC calculations give 50.6 ± 0.5 kJ/mol for crystalline benzene lattice energy.
Meissner masses in the gCFL phase of QCD
Energy Technology Data Exchange (ETDEWEB)
Casalbuoni, R. [Dipartimento di Fisica, Universita di Firenze, I-50125 Florence (Italy) and INFN, Sezione di Firenze, I-50125 Florence (Italy)]. E-mail: roberto.casalbuoni@fi.infn.it; Gatto, R. [Departement de Physique Theorique, Universite de Geneve, CH-1211 Geneve 4 (Switzerland); Mannarelli, M. [Cyclotron Institute and Physics Department, Texas A and M University, College Station, TX 77843-3366 (United States); Nardulli, G. [Universita di Bari, I-70126 Bari (Italy); INFN, Sezione di Bari, I-70126 Bari (Italy); Ruggieri, M. [Universita di Bari, I-70126 Bari (Italy); INFN, Sezione di Bari, I-70126 Bari (Italy)
2005-01-13
We calculate the Meissner masses of gluons in neutral three-flavor color superconducting matter for finite strange quark mass. In the CFL phase the Meissner masses are slowly varying function of the strange quark mass. For large strange quark mass, in the so-called gCFL phase, the Meissner masses of gluons with colors a=1,2 become imaginary, indicating an instability.
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.
Analytic calculation of phase diagrams for solutions containingcolloids or globular proteins
Energy Technology Data Exchange (ETDEWEB)
Tavares, Frederico W.; Prausnitz, John M.
2003-12-31
Molecular thermodynamics is used to calculate phase diagrams for aqueous charged dipolar colloids or globular proteins. Because normal pressures are not important for condensed systems, here a phase diagram is a plot of temperature versus colloid concentration. Properties of the fluid phase are obtained from the random-phase approximation, whereas those for the solid phase correspond to a perfect crystal. Crystal structures considered are face-centered and body-centered cubic. For each phase, the Helmholtz energy is determined by the sum of a hard-sphere reference term and a perturbation term that uses a potential of mean force for pairs of charged, dipolar colloids that also interact through dispersion forces. In view of different screening effects on charge-charge repulsion and dipolar attraction, the net electrostatic term features an extremum at intermediate inic strengths leading to a non-monotonic dependence of the phase behavior on salt concentration. Illustrative phase diagrams are shown as a function of colloid charge, dipole momeng, and ionic strength of the aqueous medium. Calculated results show that the phase diagram is sensitive to the structure assumed for the solid phase.
Van Hecke, Gerald R; Karukstis, Kerry K; Rayermann, Scott
2015-01-14
We report here the first example of a new and novel method of determining the binary temperature-composition phase diagram of a chromonic material in water using its intrinsic fluorescence. Disodium cromoglycate, or cromolyn, is an anti-allergy medicine representative of a class of compounds known as the chromonics. We have discovered that cromolyn's fluorescence is very sensitive to the polarity, hence structure, of the phase it exhibits. The fluorescence signal shifts its wavelength maximum and its shape depending on whether the cromolyn is a single phase or in coexisting phases. Since the signal due to individual phases can be identified, the fluorescence signal can reveal the temperature-induced transitions between single phase and phase coexistence regions. By studying such fluorescence data for different compositions, an isobaric temperature-composition phase diagram may be constructed. We present here a phase diagram derived from fluorescence studies that is in agreement with previous determinations using other techniques. Our results suggest that the binary phase diagrams of other intrinsically fluorescent chromonic materials, such as perylene monoimide and bisimide derivatives used in organic optoelectronic devices, solar cells, and light-emitting diodes, can be studied in water using an analogous fluorescence approach.
Phase diagrams of diblock copolymers in electric fields: a self-consistent field theory study.
Wu, Ji; Wang, Xianghong; Ji, Yongyun; He, Linli; Li, Shiben
2016-04-21
We investigated the phase diagrams of diblock copolymers in external electrostatic fields by using real-space self-consistent field theory. The lamella, cylinder, sphere, and ellipsoid structures were observed and analyzed by their segment distributions, which were arranged to two types of phase diagrams to examine the phase behavior in weak and strong electric fields. One type was constructed on the basis of Flory-Huggins interaction parameter and volume fraction. We identified an ellipsoid structure with a body-centered cuboid arrangement as a stable phase and discussed the shift of phase boundaries in the electric fields. The other type of phase diagrams was established on the basis of the dielectric constants of two blocks in the electric fields. We then determined the regions of ellipsoid phase in the phase diagrams to examine the influence of dielectric constants on the phase transition between ellipsoidal and hexagonally packed cylinder phases. A general agreement was obtained by comparing our results with those described in previous experimental and theoretical studies.
The phase diagram of high-pressure superionic ice
Sun, Jiming; Clark, Bryan K.; Torquato, Salvatore; Car, Roberto
2015-08-01
Superionic ice is a special group of ice phases at high temperature and pressure, which may exist in ice-rich planets and exoplanets. In superionic ice liquid hydrogen coexists with a crystalline oxygen sublattice. At high pressures, the properties of superionic ice are largely unknown. Here we report evidence that from 280 GPa to 1.3 TPa, there are several competing phases within the close-packed oxygen sublattice. At even higher pressure, the close-packed structure of the oxygen sublattice becomes unstable to a new unusual superionic phase in which the oxygen sublattice takes the P21/c symmetry. We also discover that higher pressure phases have lower transition temperatures. The diffusive hydrogen in the P21/c superionic phase shows strong anisotropic behaviour and forms a quasi-two-dimensional liquid. The ionic conductivity changes abruptly in the solid to close-packed superionic phase transition, but continuously in the solid to P21/c superionic phase transition.
Cold hydrogen EOS/phase diagram from DAC experiments to 300 GPa
Eremets, Mikhail
2013-06-01
Two new phases of hydrogen have been discovered at room temperature: phase IV above 220 GPa and phase V above 280 GPa. In the present work we studied these phases in a wide temperature range with the aid of Raman, infrared absorption, and electrical measurements at pressures up to 340 GPa. Also, we revised the I-III phase boundary and thus have built a new phase diagram of hydrogen. In particular, we established a new triple point at the phase diagram at 208 GPa and T = 308 K. Our new data further support the previous work that hydrogen is semiconductor in phase IV and most likely semimetal in phase V. M. I. Eremets, I. A. Troyan, A. Drozdov, Ph. Lerch, P. Naumov, Paul Scherrer, Institute, CH 5232 VILLIGEN-PSI, Switzerland.
New phase diagrams for dense carbon-oxygen mixtures and white dwarf evolution
Althaus, Leandro G; Isern, Jordi; Córsico, Alejandro H; Bertolami, Marcelo M Miller
2011-01-01
Cool white dwarfs are reliable and independent stellar chronometers. The most common white dwarfs have carbon-oxygen dense cores. Consequently, the cooling ages of very cool white dwarfs sensitively depend on the adopted phase diagram of the carbon-oxygen binary mixture. A new phase diagram of dense carbon-oxygen mixtures appropriate for white dwarf interiors has been recently obtained using direct molecular dynamics simulations. In this paper, we explore the consequences of this phase diagram in the evolution of cool white dwarfs. To do this we employ a detailed stellar evolutionary code and accurate initial white dwarf configurations, derived from the full evolution of progenitor stars. We use two different phase diagrams, that of Horowitz et al. (2010), which presents an azeotrope, and the phase diagram of Segretain & Chabrier (1993), which is of the spindle form. We computed the evolution of 0.593 and 0.878M_sun white dwarf models during the crystallization phase, and we found that the energy released...
Stehr, René; Schöpflin, Robert; Ettig, Ramona; Kepper, Nick; Rippe, Karsten; Wedemann, Gero
2010-03-17
The three-dimensional structure of chromatin affects DNA accessibility and is therefore a key regulator of gene expression. However, the path of the DNA between consecutive nucleosomes, and the resulting chromatin fiber organization remain controversial. The conformational space available for the folding of the nucleosome chain has been analytically described by phase diagrams with a two-angle model, which describes the chain trajectory by a DNA entry-exit angle at the nucleosome and a torsion angle between consecutive nucleosomes. Here, a novel type of numerical phase diagrams is introduced that relates the geometric phase space to the energy associated with a given chromatin conformation. The resulting phase diagrams revealed differences in the energy landscape that reflect the probability of a given conformation to form in thermal equilibrium. Furthermore, we investigated the effects of entropy and additional degrees of freedom in the dynamic phase diagrams by performing Monte Carlo simulations of the initial chain trajectories. Using our approach, we were able to demonstrate that conformations that initially were geometrically impossible could evolve into energetically favorable states in thermal equilibrium due to DNA bending and torsion. In addition, dynamic phase diagrams were applied to identify chromatin fibers that reflect certain experimentally determined features.
A new interpretation of the QCD phase transition and of strangeness as QGP signature
Kabana, S
2002-01-01
We address the question of how to identify the QCD phase transition using measured light (u, d, s-structured) hadrons, without invoking comparison to the QCD epsilon /sub c/ predictions, and extract epsilon /sub c/ from the data. We analyse several particle and nuclear collisions and extract their chemical freeze out temperature T at zero baryochemical potential ( mu /sub B/). We find at mu /sub B /=0 a universal rise and saturation of both the T and of the strangeness suppression factor lambda /sub s/(=2s/u+d) with increasing initial energy density ( epsilon /sub i/). The onset of saturation of both T and lambda /sub s/, is interpreted as due to the event of the QCD phase transition. The critical energy density is estimated to be epsilon /sub c/~1+0.3-0.5 GeV/fm/sup 3/, corresponding approximately to a square root s of ~8.8 GeV for central Pb+Pb collisions. Concerning the role of strangeness, we identify trivial and nontrivial sources of strangeness enhancement: The peak of lambda /sub s/ in Pb+Pb collisions...
Quark-hadron phase structure and QCD equations of state in vanishing and finite magnetic field
Tawfik, Abdel Nasser; Hussein, M T
2016-01-01
In characterizing the quark-hadron phase structure, determining various thermodynamic quantities and investigating their temperature dependencies on vanishing and finite magnetic field, SU(3) Polyakov linear-sigma model (PLSM) is utilized. The dependence of the chiral order-parameter on vanishing and finite magnetic field is calculated in mean-field approximation. In a wide range of temperatures and magnetic field strengths, the thermodynamic observables including trace anomaly, speed of sound squared, entropy density, specific heat and magnetization are presented. An excellent agreement is found when these are confronted to recent lattice QCD calculations. The temperature dependence of these quantities confirms our previous result that the transition temperature is reduced with magnetic field. Furthermore, the temperature dependence of magnetization verifies the conclusion that the QCD matter has paramagnetic properties near and far above the critical temperature. The excellent agreement with recent lattice ...
Chiral phase transition of $N_f$=2+1 QCD with the HISQ action
Ding, H -T; Karsch, F; Maezawa, Y; Mukherjee, Swagato; Petreczky, P
2013-01-01
We present studies of universal properties of the chiral phase transition in $N_f$=2+1 QCD based on the simulations using Highly Improved Staggered fermions on lattices with temporal extent $N_\\tau$=6. We analyze the quark mass and volume dependence of the chiral condensates and chiral susceptibilities in QCD with two degenerate light quarks and a strange quark. The strange quark mass is chosen to be fixed to its physical value ($m^{phy}_s$) and five values of light quark masses ($m_l$) that are varied in the interval 1/20$\\gtrsim m_l/m^{phy}_s \\gtrsim$1/80. Here various quark masses correspond to pseudo Goldstone pion masses ranging from about 160 MeV to about 80 MeV. The O(N) scaling of chiral observables and the influence of universal scaling on physical observables in the region of physical quark mass values are also discussed.
Topological insulators and the QCD vacuum: the theta parameter as a Berry phase
Thacker, H B
2013-01-01
There is considerable evidence, based on large $N_c$ chiral dynamics, holographic QCD, and Monte Carlo studies, that the QCD vacuum is permeated by discrete quasivacua separated by domain walls across which the local value of the topological $\\theta$ parameter jumps by $\\pm2\\pi$. In the 2-dimensional $CP^{N-1}$ sigma model, a pointlike charge is a domain wall, and $\\theta$ describes the background electric flux and the polarization of charged pairs in the vacuum. We show that the screening process, and the role of $\\theta$ as an order parameter describing electric polarization, are naturally formulated in terms of Bloch wave eigenstates of the Dirac Hamiltonian in the background gauge field. This formulation is similar to the Berry phase description of electric polarization and quantized charge transport in topological insulators. The Bloch waves are quasiperiodic superpositions of localized Dirac zero modes. They define a Berry connection around the Brillouin zone of the zero mode band which describes the lo...
Institute of Scientific and Technical Information of China (English)
LIU Yong-gang; CHEN Guang; SUN Guo-xiong
2006-01-01
The effect of coupling with calculation of phase diagrams on microsegregation forming simulation was investigated. The traditional simplified phase diagram and calculated phase diagram were introduced into the numerical models respectively and simulation on microsegregation forming of the Al-4.5%Cu alloy ingot was also presented. The simulation results were both compared with the experiment results. The results show that the calculated sencondary arm spacing with these two kinds of phase diagram are almost the same because relationship between the coarsening model and the information of phase diagram is not close. The calculated eutectic phase volume fractions of different locations in the ingot coupled with different phase diagrams are discrepant. The calculated volume fractions are consistent with the experiment results when calculated phase diagram couples, but are far from the experiment results and obviously inacceptable when traditional simplified phase diagram couples. So, coupling with accurate calculated phase diagrams is very significant for microsegregation forming simulation since much information of the phase diagram is used in the models and it can improve the precision of simulation results.
The QCD phase transitions: From mechanism to observables
Energy Technology Data Exchange (ETDEWEB)
Shuryak, E.V.
1997-09-22
This paper contains viewgraphs on quantum chromodynamic phase transformations during heavy ion collisions. Some topics briefly described are: finite T transitions of I molecule pairs; finite density transitions of diquarks polymers; and the softtest point of the equation of state as a source of discontinuous behavior as a function of collision energy or centrality.
Phase diagram of binary system C12Zn-C18Zn
Institute of Scientific and Technical Information of China (English)
Kezhong Wu; Xindong Wang; Xiaodi Liu
2003-01-01
The solid-solid phase transitions in the perovskite type layer materials (n-C12H25NH3)2ZnCl4 (C12Zn) and (n-C18H37NH3)2ZnCl4 (C18Zn) that are one kind of potential thermal storage material, were synthesized and, at the same time, a series of their mixtures C12Zn/C18Zn were prepared. The experimental binary phase diagram of C12Zn/C18Zn was established by means of differential scanning calorimetry (DSC) and X-ray diffraction. In the phase diagram a stable solid compound (n-C12H25NH3)(n-C18H37NH3)ZnCl4 (C12C18Zn) and two eutectoid invariants were observed. It is noticeable that the phase diagram contains solid solution ranges.
Experimental evaluation and thermodynamic assessment of the LiF-LuF{sub 3} phase diagram
Energy Technology Data Exchange (ETDEWEB)
Santos, I.A. dos [Instituto de Pesquisas Energeticas e Nucleares, CP 11049, Butanta 05422-970, Sao Paulo, SP (Brazil); Klimm, D. [Leibniz Institute for Crystal Growth, Max-Born-Strasse 2, 12489 Berlin (Germany); Baldochi, S.L.; Ranieri, I.M. [Instituto de Pesquisas Energeticas e Nucleares, CP 11049, Butanta 05422-970, Sao Paulo, SP (Brazil)
2013-01-20
The phase diagram of the system LiF-LuF{sub 3} has been revised using thermal analysis. Specific heat capacity and enthalpy of phase transition and fusion were measured by differential scanning calorimetry for all compounds belonging to the system. A thermodynamic optimization of the LiF-LuF{sub 3} phase diagram was performed by fitting the Gibbs energy functions to the experimental data that were taken from the literature or measured in this work. Excess energy terms, which describe the effect of interaction between the two fluoride compounds in the liquid solution, were expressed by the Redlich-Kister polynomial function. The assessed phase diagram was in suitable agreement with the re-evaluated experimental data.
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.
Céolin, René; Rietveld, Ivo B.
2017-04-01
The phase behavior of pharmaceuticals is important for regulatory requirements and dosage form development. Racemic fluoxetine nitrate possesses two crystalline forms for which initial measurements indicated that they have a monotropic relationship with form I the only stable form. By constructing the topological pressure-temperature phase diagram, it has been shown that unexpectedly form II has a stable domain in the phase diagram and can be easily obtained by heating and grinding. The pressure necessary to obtain form II is only 11 MPa, which is much lower than most pressure used for tableting in the pharmaceutical industry.
Phase Diagrams of Quasispecies Theory with Recombination and Horizontal Gene Transfer
Park, J.-M.; Deem, M. W.
2007-02-01
We consider how transfer of genetic information between individuals influences the phase diagram and mean fitness of both the Eigen and the parallel, or Crow-Kimura, models of evolution. In the absence of genetic transfer, these physical models of evolution consider the replication and point mutation of the genomes of independent individuals in a large population. A phase transition occurs, such that below a critical mutation rate an identifiable quasispecies forms. We show how transfer of genetic information changes the phase diagram and mean fitness and introduces metastability in quasispecies theory, via an analytic field theoretic mapping.
Phase diagram and thermodynamic calculations of alkali and alkaline earth metal zirconates
Energy Technology Data Exchange (ETDEWEB)
Dash, S. [Bhabha Atomic Res. Centre, Bombay (India). Fuel Chem. Div.; Sood, D.D. [Bhabha Atomic Res. Centre, Bombay (India). Fuel Chem. Div.; Prasad, R. [Bhabha Atomic Res. Centre, Bombay (India). Fuel Chem. Div.
1996-02-01
The ternary phase diagrams and partial pressures of various gaseous species over the equilibrium phase fields have been calculated for the M-Zr-O (M=Li, Na, K, Rb, Cs, Sr and Ba) systems by using the SOLGASMIX-PV program, which computes equilibrium composition by direct minimization of the Gibbs energy of a system. The available experimental Gibbs energy data reported in the literature for binary and ternary compounds were used for these calculations. Where no data exist, values were estimated. These ternary phase diagrams are being reported for the first time, except for the lithium system. (orig.).
Phase diagram and thermodynamic calculations of alkali and alkaline earth metal zirconates
Dash, Smruti; Sood, D. D.; Prasad, R.
1996-02-01
The ternary phase diagrams and partial pressures of various gaseous species over the equilibrium phase fields have been calculated for the MZrO (M = Li, Na, K, Rb, Cs, Sr and Ba) systems by using the SOLGASMIX-PV program, which computes equilibrium composition by direct minimization of the Gibbs energy of a system. The available experimental Gibbs energy data reported in the literature for binary and ternary compounds were used for these calculations. Where no data exist, values were estimated. These ternary phase diagrams are being reported for the first time, except for the lithium system.
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
It is demonstrated by molecular dynamics simulations that liquids interacting via the Buckingham potential are strongly correlating, i.e., have regions of their phase diagram where constant-volume equilibrium fluctuations in the virial and potential energy are strongly correlated. A binary...... Buckingham liquid is cooled to a viscous phase and shown to have isomorphs, which are curves in the phase diagram along which structure and dynamics in appropriate units are invariant to a good approximation. To test this, the radial distribution function, and both the incoherent and coherent intermediate...
Phase Diagram of the Two-Dimensional Ising Model with Dipolar Interaction
Institute of Scientific and Technical Information of China (English)
SUN Gang; CHU Qian-Jin
2001-01-01
We treat the two-dimensional Ising model with the dipolar interaction by the numerical calculation under the restriction that the spin configurations are distributed with a 4 × 4 period. The phase diagram with respect to temperature and dipolar interaction strength is constructed. Most characters of the phase diagram are consistent with those obtained in the references by the Monte Carlo simulation, except that we find a new rectangle phase, which is ordered in the spin structure with the 1 × 2 rectangle.
Meng, Qingyou; Varney, Christopher N.; Fangohr, Hans; Babaev, Egor
2017-01-01
It was recently proposed to use the stray magnetic fields of superconducting vortex lattices to trap ultracold atoms for building quantum emulators. This calls for new methods for engineering and manipulating of the vortex states. One of the possible routes utilizes type-1.5 superconducting layered systems with multi-scale inter-vortex interactions. In order to explore the possible vortex states that can be engineered, we present two phase diagrams of phenomenological vortex matter models with multi-scale inter-vortex interactions featuring several attractive and repulsive length scales. The phase diagrams exhibit a plethora of phases, including conventional 2D lattice phases, five stripe phases, dimer, trimer, and tetramer phases, void phases, and stable low-temperature disordered phases. The transitions between these states can be controlled by the value of an applied external field.
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.
Morphology and phase diagram of comb block copolymer Am+1(BC)m.
Jiang, Zhibin; Wang, Rong; Xue, Gi
2009-05-28
The morphologies and the phase diagram of comb copolymer Am+1(BC)m are investigated by the self-consistent field theory. By changing the volume fractions of the blocks, the interaction parameters between the different blocks, and the side chain number, nine phases are found, including the two-colored lamellar phase, three-colored lamellar phase, hexagonal lattice phase, core shell hexagonal lattice phase, two interpenetrating tetragonal lattice, core shell tetragonal lattice, lamellar phase with beads inside, lamellar phase with alternating beads, and disordered phase. The phase diagrams are constructed for Am+1(BC)m with different side chain numbers of m=1, 2, 3, and 5. Due to the asymmetric topology of comb copolymer Am+1(BC)m, the phases and the diagrams are very different from linear ABC triblock copolymer or star ABC triblock copolymer. When the volume fraction of one of the blocks is the domination, the (core shell) hexagonal phase or two interpenetrating tetragonal lattice can form, depending on which block dominates and the interaction between the blocks. The (core shell) hexagonal phase easily forms at the corner of the block A (fA>or=0.5). The side chain number m affects the phase diagram largely due to the fact that the architecture of a comb copolymer is not invariant under the interchange between the three different monomers. Due to the connectivity of the blocks B and the inner blocks A, Am+1(BC)m comb copolymers with the longer main chain A or longer side chain with short block C, i.e., longer block B, are difficult to phase separate. The results are helpful to design nano- or biomaterials with complex architecture or tailor the phase behavior of comb copolymers.
Phase diagram for a mixture of colloids and polymers with equal size
Tuinier, R.; Smith, P.A.; Poon, W.C.K.; Egelhaaf, S.U.; Aarts, D.G.A.L.; Lekkerkerker, H.N.W.; Fleer, G.J.
2008-01-01
We present the phase diagram of a colloid-polymer mixture in which the radius a of the colloidal spheres is approximately the same as the radius R of a polymer coil (q=R/a1). A three-phase coexistence region is experimentally observed, previously only reported for colloid-polymer mixtures with small
Phase diagram of the B-B2O3 system at pressures to 24 GPa
Turkevich, Vladimir Z.; Turkevich, Dmitry V.; Solozhenko, Vladimir L.
2016-01-01
The evolution of topology of the B-B2O3 phase diagram has been studied at pressures up to 24 GPa using models of phenomenological thermodynamics with interaction parameters derived from experimental data on phase equilibria at high pressures and high temperatures.
The phase diagram of the massive Gross-Neveu model, revisited
Schnetz, O; Urlichs, K; Schnetz, Oliver; Thies, Michael; Urlichs, Konrad
2005-01-01
The massive Gross-Neveu model is solved in the large N limit at finite temperature and chemical potential. The phase diagram features a kink-antikink crystal phase which was missed in previous works. Translated into the framework of condensed matter physics our results generalize the bipolaron lattice in non-degenerate conducting polymers to finite temperature.
Friman, B; Redlich, K; Skokov, V
2011-01-01
We discuss the relevance of higher order moments of net baryon number fluctuations for the analysis of freeze-out and critical conditions in heavy ion collisions at LHC and RHIC. Using properties of O(4) scaling functions, we discuss the generic structure of these higher moments at vanishing baryon chemical potential and apply chiral model calculations to explore their properties at non-zero baryon chemical potential. We show that the ratios of the sixth to second and eighth to second order moments of the net baryon number fluctuations change rapidly in the transition region of the QCD phase diagram. Already at vanishing baryon chemical potential they deviate considerably from the predictions of the hadron resonance gas model which reproduce the second to fourth order moments of the net proton number fluctuations at RHIC. We point out that the sixth order moments of baryon number and electric charge fluctuations remain negative at the chiral transition temperature. Thus, they offer the possibility to probe th...
The Use of Computer Graphics to Teach Thermodynamic Phase Diagrams.
Naik, Chandrashekhar D.; And Others
1985-01-01
Describes an interactive graphics package which illustrates the phase behavior of binary mixtures. The package has been successfully used with graduate and undergraduate students in the chemical engineering curriculum at Cornell University. Features contributing to this success are noted. (JN)
Charge fluctuations in chiral models and the QCD phase transition
Skokov, V; Karsch, F; Redlich, K
2011-01-01
We consider the Polyakov loop-extended two flavor chiral quark--meson model and discuss critical phenomena related with the spontaneous breaking of the chiral symmetry. The model is explored beyond the mean-field approximation in the framework of the functional renormalisation group. We discuss properties of the net-quark number density fluctuations as well as their higher cumulants. We show that with the increasing net-quark number density, the higher order cumulants exhibit a strong sensitivity to the chiral crossover transition. We discuss their role as probes of the chiral phase transition in heavy-ion collisions at RHIC and LHC.
Phase diagram of one-patch colloids forming tubes and lamellae.
Preisler, Zdenek; Vissers, Teun; Smallenburg, Frank; Munaò, Gianmarco; Sciortino, Francesco
2013-08-15
We numerically calculate the equilibrium phase diagram of one-patch particles with 30% patch coverage. It has been previously shown that in the fluid phase these particles organize into extremely long tubelike aggregates (G. Munaò et al. Soft Matter 2013, 9, 2652). Here, we demonstrate by means of free-energy calculations that such a disordered tube phase, despite forming spontaneously from the fluid phase below a density-dependent temperature, is always metastable against a lamellar crystal. We also show that a crystal of infinitely long packed tubes is thermodynamically stable, but only at high pressure. The full phase diagram of the model, beside the fluid phase, displays four different stable crystals. A gas-liquid critical point, and hence a liquid phase, is not detected.
Phase diagram of power law and Lennard-Jones systems: Crystal phases
Energy Technology Data Exchange (ETDEWEB)
Travesset, Alex [Ames Laboratory
2014-10-28
An extensive characterization of the low temperature phase diagram of particles interacting with power law or Lennard-Jones potentials is provided from Lattice Dynamical Theory. For power law systems, only two lattice structures are stable for certain values of the exponent (or softness) (A15, body centered cube (bcc)) and two more (face centered cubic (fcc), hexagonal close packed (hcp)) are always stable. Among them, only the fcc and bcc are equilibrium states. For Lennard-Jones systems, the equilibrium states are either hcp or fcc, with a coexistence curve in pressure and temperature that shows reentrant behavior. The hcp solid never coexists with the liquid. In all cases analyzed, for both power law and Lennard-Jones potentials, the fcc crystal has higher entropy than the hcp. The role of anharmonic terms is thoroughly analyzed and a general thermodynamic integration to account for them is proposed.
Phase Diagram and Phase Separation of a Trapped Interacting Bose-Fermi Gas Mixture
Institute of Scientific and Technical Information of China (English)
MA Yong-Li
2004-01-01
@@ In six different regimes for a spatial phase diagram of a trapped interacting Bose-Fermi gas mixture at low temperatures, we present the conditions for the spatial demixing and separation of bosons and fermions. Starting from a semiclassically thermodynamic model for the local density functional of thermal bosons and fermions,the explicit analytical expressions for the fugacities of bosons and fermions are derived in different regimes by means of a first-order perturbation method in a local-density approximation. The critical values of the fermionboson interaction strength as a function of the fractional composition of fermions have a general feature: increase,extreme and decrease with increasing the fermionic composition slightly above Bose-Einstein critical temperature.
Chiral phase transition of QCD with N f = 2 + 1 flavors from holography
Li, Danning; Huang, Mei
2017-02-01
Chiral phase transition for three-flavor N f = 2 + 1 QCD with m u = m d ≠ m s is investigated in a modified soft-wall holographic QCD model. Solving temperature dependent chiral condensates from equations of motion of the modified soft-wall model, we extract the quark mass dependence of the order of chiral phase transition in the case of N f = 2 + 1, and the result is in agreement with the "Columbia Plot", which is summarized from lattice simulations and other non-perturbative methods. First order phase transition is observed around the three flavor chiral limit m u/ d = 0, m s = 0, while at sufficient large quark masses it turns to be a crossover phase transition. The first order and crossover regions are separated by a second order phase transition line. The second order line is divided into two parts by the m u/ d = m s line, and the m s dependence of the transition temperature in these two parts are totally contrast, which might indicate that the two parts are governed by different universality classes.
Finite volume treatment of pi pi scattering and limits to phase shifts extraction from lattice QCD
Albaladejo, M; Oset, E; Rios, G; Roca, L
2012-01-01
We study theoretically the effects of finite volume for pipi scattering in order to extract physical observables for infinite volume from lattice QCD. We compare three different approaches for pipi scattering (lowest order Bethe-Salpeter approach, N/D and inverse amplitude methods) with the aim to study the effects of the finite size of the box in the potential of the different theories, specially the left-hand cut contribution through loops in the crossed t,u-channels. We quantify the error made by neglecting these effects in usual extractions of physical observables from lattice QCD spectra. We conclude that for pipi phase-shifts in the scalar-isoscalar channel up to 800 MeV this effect is negligible for box sizes bigger than 2.5m_pi^-1 and of the order of 5% at around 1.5-2m_pi^-1. For isospin 2 the finite size effects can reach up to 10% for that energy. We also quantify the error made when using the standard Luscher method to extract physical observables from lattice QCD, which is widely used in the lite...
A little inflation in the early universe at the QCD phase transition
Boeckel, Tillmann
2009-01-01
We explore a scenario that allows for a strong first order phase-transition of QCD at non-negligible baryon number in the early universe and its possible cosmological observable consequences. The main assumption is a quasi-stable QCD-vacuum state that leads to a short period of inflation, consequently diluting the net baryon to photon ratio to it's today observed value. A strong mechanism for baryogenesis is needed to start out with a baryon asymmetry of order unity, e.g. as provided by Affleck-Dine baryogenesis. The cosmological implications are direct effects on primordial density fluctuations up to dark matter mass scales of 1 - 10 solar masses, change in the spectral slope up to mass scales of 10^6 - 10^7 solar masses, production of primordial magnetic fields with initial strength up to 10^12 Gauss and a gravitational wave spectrum with present day peak strain amplitude of at most h_c = 4.7 * 10^-15 around a frequency of 4*10^-8 Hz. The little QCD inflation scenario could be probed with the upcoming heavy...
The Lifetime of the Electric Flux Tubes near the QCD Phase Transition
Faroughy, Cyrus
2010-01-01
Electric flux tubes are a well known attribute of the QCD vacuum in which they manifest confinement of electric color charges. Recently, experimental results have appeared suggesting that not only those objects persist at temperatures $T\\approx T_c$ near the QCD phase transitions, but their decay is suppressed and the resulting clusters in AuAu collisions are larger than in pp (i.e. in vacuum). This correlates well with recent theoretical scenarios that view the QCD matter in the $T\\approx T_{c}$ region as a dual-magnetic plasma dominated by color-magnetic monopoles. In this view the flux tubes are stabilized by dual-magnetic currents and are described by dual-magnetohydrodynamics (DMHD). In this paper we calculate classically the dissipative effects in the flux tube. Such effects are associated with rescattering and finite conductivity of the matter. We derive the DMHD solution in the presence of dissipation and then estimate the lifetime of the electric flux tubes. The conclusion of this study is that a cla...
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
Güven, Can; Hinczewski, Michael; Berker, A. Nihat
2011-03-01
The tensor renormalization-group method, developed by Levin and Nave, brings systematic improvability to the position-space renormalization-group method and yields essentially exact results for phase diagrams and entire thermodynamic functions. The method, previously used on systems with no quenched randomness, is extended in this study to systems with quenched randomness. Local magnetizations and correlation functions as a function of spin separation are calculated as tensor products subject to renormalization-group transformation. Phase diagrams are extracted from the long-distance behavior of the correlation functions. The approach is illustrated with the quenched bond-diluted Ising model on the triangular lattice. An accurate phase diagram is obtained in temperature and bond-dilution probability for the entire temperature range down to the percolation threshold at zero temperature. This research was supported by the Alexander von Humboldt Foundation, the Scientific and Technological Research Council of Turkey (TÜBITAK), and the Academy of Sciences of Turkey.
Enhanced electrical transport and phase diagram of LiBr-NaBr mixed crystal system
Energy Technology Data Exchange (ETDEWEB)
Manoravi, P.; Shahi, K. (Dept. of Physics, Indian Inst. of Tech., Kanpur (India))
1992-12-01
The ionic conductivity and the phase diagram of LiBr-NaBr system has been studied. Maximum conductivity enhancement by factors of 2.8 and 2.3x10[sup 4] with respect to pure LiBr and NaBr, respectively are obtained at 400degC for Li[sub 0.7]Na[sub 0.3]Br solid solution. The demixing curve of the phase diagram which was constructed from the conductivity versus temperature studies, suggest that the LiBr-NaBr system forms complete solid solution only above 215degC. The conductivity enhancements and the activation energies are consistent with the melting curve of the phase diagram. (orig.).
Güven, Can; Hinczewski, Michael; Berker, A Nihat
2010-11-01
The tensor renormalization-group method, developed by Levin and Nave, brings systematic improvability to the position-space renormalization-group method and yields essentially exact results for phase diagrams and entire thermodynamic functions. The method, previously used on systems with no quenched randomness, is extended in this study to systems with quenched randomness. Local magnetizations and correlation functions as a function of spin separation are calculated as tensor products subject to renormalization-group transformation. Phase diagrams are extracted from the long-distance behavior of the correlation functions. The approach is illustrated with the quenched bond-diluted Ising model on the triangular lattice. An accurate phase diagram is obtained in temperature and bond-dilution probability for the entire temperature range down to the percolation threshold at zero temperature.
Lattice QCD for Baryon Rich Matter - Beyond Taylor Expansions
Bornyakov, V.; Boyda, D.; Goy, V.; Molochkov, A.; Nakamura, A.; Nikolaev, A.; Zakharov, V. I.
2016-12-01
We discuss our study for exploring the QCD phase diagram based on the lattice QCD. To go beyond the Taylor expansion and to reach higher density regions, we employ the canonical approach. In order to produce lattice data which meet experimental situation as much as possible, we propose a canonical approach with the charge and baryon number. We present our lattice QCD GPU code for this project which employs the clover improved Wilson fermions and Iwasaki gauge action to investigate pure imaginary chemical potential.
Lattice QCD for Baryon Rich Matter – Beyond Taylor Expansions
Energy Technology Data Exchange (ETDEWEB)
Bornyakov, V. [ITEP, B. Cheremushkinskaya 25, Moscow, 117218 (Russian Federation); School of Biomedicine, Far Eastern Federal University, Sukhanova 8, Vladivostok 690950 (Russian Federation); Boyda, D. [School of Biomedicine, Far Eastern Federal University, Sukhanova 8, Vladivostok 690950 (Russian Federation); Goy, V. [School of Natural Sciences, Far Eastern Federal University, Sukhanova 8, Vladivostok 690950 (Russian Federation); Molochkov, A. [School of Biomedicine, Far Eastern Federal University, Sukhanova 8, Vladivostok 690950 (Russian Federation); Nakamura, A. [School of Biomedicine, Far Eastern Federal University, Sukhanova 8, Vladivostok 690950 (Russian Federation); Research Center for Nuclear Physics (RCNP), Osaka University, Ibaraki, Osaka, 567-0047 (Japan); Theoretical Research Division, Nishina Center, RIKEN, Wako 351-0198 (Japan); Nikolaev, A. [School of Biomedicine, Far Eastern Federal University, Sukhanova 8, Vladivostok 690950 (Russian Federation); Zakharov, V.I. [ITEP, B. Cheremushkinskaya 25, Moscow, 117218 (Russian Federation); School of Biomedicine, Far Eastern Federal University, Sukhanova 8, Vladivostok 690950 (Russian Federation); Moscow Inst Phys & Technol, Dolgoprudny, Moscow Region, 141700 (Russian Federation)
2016-12-15
We discuss our study for exploring the QCD phase diagram based on the lattice QCD. To go beyond the Taylor expansion and to reach higher density regions, we employ the canonical approach. In order to produce lattice data which meet experimental situation as much as possible, we propose a canonical approach with the charge and baryon number. We present our lattice QCD GPU code for this project which employs the clover improved Wilson fermions and Iwasaki gauge action to investigate pure imaginary chemical potential.
Subsolidus binary phase diagram of C10Zn-C18Zn of thermotropic phase transitions materials
Institute of Scientific and Technical Information of China (English)
武克忠; 王新东; 刘晓地; 左萍
2004-01-01
The thermotropic phase transitions layer compound in the perovskite type (n-C10 H21 NH3 )2 ZnCl4 and (nC18 H37 NH3 )2 ZnCl4 were synthesized and, at the same time, a series of rnixtures C10 Zn/C18 Zn were prepared. The experimental binary phase diagram of C10 Zn/C18 Zn was established by means of differential scanning calorimetry (DSC) and X-ray diffraction. In the phase diagram, compound (n-C10 H21 NH3 ) (n-C21 H37 NH3 )ZnCl4 and two eutectoid invariants were observed; two eutectoid temperatures are about 53 ℃ and 58 ℃. Contrasting with other similar systems, there are three noticeable solid solution ranges at the left and right boundary and middle of the phase diagram.
Phase diagrams and synthesis of cubic boron nitride
Turkevich, V Z
2002-01-01
On the basis of phase equilibria, the lowest temperatures, T sub m sub i sub n , above which at high pressures cubic boron nitride crystallization from melt solution is allowable in terms of thermodynamics have been found for a number of systems that include boron nitride.
Phase diagram of coacervate complexes containing reversible coordination
Wang, J.; Cohen Stuart, M.A.; Gucht, van der J.
2012-01-01
Phase separation of coacervate complexes from cationic PDMAEMA [poly(N,N-dimethylaminoethyl methacrylate)] and anionic reversible coordination polymers are studied in the present work. The coordination polymers are formed from zinc and a bis-ligand L2EO4 [1,11-bis(2,6-dicarboxypyridin-4-yloxy)-3,6,9
Analytical phase diagrams for colloids and non-adsorbing polymer
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 natur
Phase diagram of highly asymmetric binary hardsphere mixtures
Dijkstra, M.|info:eu-repo/dai/nl/123538807; van Roij, R.H.H.G.|info:eu-repo/dai/nl/152978984; Evans, R.
We study the phase behavior and structure of highly asymmetric binary hard-sphere mixtures. By first integrating out the degrees of freedom of the small spheres in the partition function we derive a formal expression for the effective Hamiltonian of the large spheres. Then using an explicit pairwise
Wetting phase diagrams of polyacid brush with a triple point.
Mercurieva, A.A.; Iakovlev, P.A.; Zhulina, E.B.; Birshtein, T.M.; Leermakers, F.A.M.
2006-01-01
The (pre)wetting behavior of an annealed polyelectrolyte (PE) brush by an electrolyte solution that is strongly segregated from an apolar phase is analyzed. In this complex interface, there are interactions on various length scales. There are short-range interactions with the (uncharged) surface, an
Solidification of ternary systems with a nonlinear phase diagram
Alexandrov, D. V.; Dubovoi, G. Yu.; Malygin, A. P.; Nizovtseva, I. G.; Toropova, L. V.
2017-02-01
The directional solidification of a ternary system with an extended phase transition region is theoretically studied. A mathematical model is developed to describe quasi-stationary solidification, and its analytical solution is constructed with allowance for a nonlinear liquidus line equation. A deviation of the liquidus equation from a linear function is shown to result in a substantial change in the solidification parameters.
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....
T-p phase diagrams and the barocaloric effect in materials with successive phase transitions
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 .
Brazhkin, Vadim V.
2006-07-01
Concepts of a 'phase' and a 'phase transition' are discussed for stable and metastable states of matter. While condensed matter physics primarily considers equilibrium states and treats metastable phases as exceptions, organic chemistry overwhelmingly deals with metastable states. It is emphasized that many simple light-element compounds — including most hydrocarbons; nitrogen oxides, hydrides, and carbides; carbon monoxide CO; alcohols and glycerin — are also metastable at normal pressure in the sense that they do not correspond to a minimum Gibbs free energy for a given chemical composition. At moderate temperatures and pressures, the phase transformations for these metastable phases are reversible with the fulfilment of all laws of equilibrium thermodynamics over the entire range of experimentally accessible times. At sufficiently high pressures (> 1-10 GPa), most of the metastable molecular phases irreversibly transform to lower-energy polymer phases, stable or metastable. These transitions do not correspond to the equality of the Gibbs free energy for the involved phases before and after the transition and so they are not first-order in the 'classical' sense. At normal pressure, the resulting polymer phases can exist at temperatures above the melting point of the original metastable molecular phase, as the examples of polyethylene and polymerized CO dramatically illustrate. As pressure is increased further to 20-50 GPa, the PV contribution to Gibbs free energy gives rise to stable high-density atomic phases. Many of the intermediate-energy polymer phases can likely be synthesized by methods of 'classical' chemistry at normal pressure.
The solid-liquid phase diagrams of binary mixtures of consecutive, even saturated fatty acids.
Costa, Mariana C; Sardo, Mariana; Rolemberg, Marlus P; Coutinho, João A P; Meirelles, Antonio J A; Ribeiro-Claro, Paulo; Krähenbühl, M A
2009-08-01
For the first time, the solid-liquid phase diagrams of five binary mixtures of saturated fatty acids are here presented. These mixtures are formed of caprylic acid (C(8:0))+capric acid (C(10:0)), capric acid (C(10:0))+lauric acid (C(12:0)), lauric acid (C(12:0))+myristic acid (C(14:0)), myristic acid (C(14:0))+palmitic acid (C(16:0)) and palmitic acid (C(16:0))+stearic acid (C(18:0)). The information used in these phase diagrams was obtained by differential scanning calorimetry (DSC), X-ray diffraction (XRD), FT-Raman spectrometry and polarized light microscopy, aiming at a complete understanding of the phase diagrams of the fatty acid mixtures. All of the phase diagrams reported here presented the same global behavior and it was shown that this was far more complex than previously imagined. They presented not only peritectic and eutectic reactions, but also metatectic reactions, due to solid-solid phase transitions common in fatty acids and regions of solid solution not previously reported. This work contributes to the elucidation of the phase behavior of these important biochemical molecules, with implications in various industrial applications.
First-Order Transitions and the Magnetic Phase Diagram of CeSb
DEFF Research Database (Denmark)
Lebech, Bente; Clausen, Kurt Nørgaard; Vogt, O.
1980-01-01
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...... 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...
Phase diagrams of the Katz-Lebowitz-Spohn process on lattices with a junction
Tian, Bo; Jiang, Rui; Ding, Zhong-Jun; Hu, Mao-Bin; Wu, Qing-Song
2013-06-01
This paper studies the Katz-Lebowitz-Spohn (KLS) process on lattices with a junction, where particles move on parallel lattice branches that combine into a single lattice at the junction. It is shown that 11 kinds of phase diagrams could be observed, depending on the two parameters ɛ and δ in the KLS process. We have investigated the phase diagrams as well as bulk density analytically based on flow rate conservation and the extremal current principle. Extensive Monte Carlo computer simulations are performed, and it is found that they are in excellent agreement with theoretical prediction.
A new method for calculating the activity of stable compound from binary phase diagram
Institute of Scientific and Technical Information of China (English)
CHEN Dengfu; DONG Lingyan; BAI Chenguang; LIU Qingcai; WANG Chuanjun
2006-01-01
A new method to calculate the activity of a stable compound in a binary phase diagram was presented and dis cussed. According to the formula for calculating activity from the binary phase diagram, the equilibrium constant can be calculated through the mass action principle after the activities of two pure components were computed respectively. Based on that, the activity of a stable compound can be easily obtained at last. The activity of the stable compound InSb is calculated in the In-Sb binary system by using this method. The result is well consistent with another calculation value.
Complex-Temperature Phase Diagrams of 1D Spin Models with Next-Nearest-Neighbor Couplings
1997-01-01
We study the dependence of complex-temperature phase diagrams on details of the Hamiltonian, focusing on the effect of non-nearest-neighbor spin-spin couplings. For this purpose, we consider a simple exactly solvable model, the 1D Ising model with nearest-neighbor (NN) and next-to-nearest-neighbor (NNN) couplings. We work out the exact phase diagrams for various values of $J_{nnn}/J_{nn}$ and compare these with the case of pure nearest-neighbor (NN) couplings. We also give some similar result...
Phase diagram and enhanced electrical transport in KBr-NaBr mixed crystals
Energy Technology Data Exchange (ETDEWEB)
Manoravi, P. (Dept. of Physics, Indian Inst. of Tech., Kanpur (India)); Shahi, K. (Dept. of Physics, Indian Inst. of Tech., Kanpur (India) Material Science Program, Indian Inst. of Tech., Kanpur (India))
1991-03-01
Phase diagram and ionic conductivity of KBr-NaBr mixed crystals system have been studied over the entire composition and stable temperature range. A maximum conductivity enhancement by a factor of 25 with respect to pure KBr, and 8 with respect to pure NaBr, is obtained for the K{sub 0.5}Na{sub 0.5}Br solid solution at 500deg C. The conductivity values are found to follow the melting (solidus) temperature in a correlated manner. The minimum in the solidus curve of the phase diagram is observed between 43 and 72 mole% NaBr at 615deg C. (orig.).
Effect of the Vibrational Modes on the Ag-Cu Phase Diagram
Institute of Scientific and Technical Information of China (English)
DUAN Su-Qing; ZHAO Xian-Geng; LIU Shao-Jun; MA Ben-Kun
2000-01-01
We calculated the vibrational free energies of the selected ordered compounds in the Ag-Cu system by using two kinds of methods: (1) calculating the phonon dispersion and density of states and the consequently vibrational free energies by using the method of ab initio inverted interatomic potentials and dynamic matrix; (2) the vibrational free energies determined by a Debye-Griineisen approximation. The Ag-Cu phase diagram is calculated by the cluster variation method. The results show that the solubility at Ag-rich end of the calculated phase diagram considering vibrational modes by using the first method is in better agreement with the experimental.
Phase diagrams of the Katz-Lebowitz-Spohn process on lattices with a junction.
Tian, Bo; Jiang, Rui; Ding, Zhong-Jun; Hu, Mao-Bin; Wu, Qing-Song
2013-06-01
This paper studies the Katz-Lebowitz-Spohn (KLS) process on lattices with a junction, where particles move on parallel lattice branches that combine into a single lattice at the junction. It is shown that 11 kinds of phase diagrams could be observed, depending on the two parameters ε and δ in the KLS process. We have investigated the phase diagrams as well as bulk density analytically based on flow rate conservation and the extremal current principle. Extensive Monte Carlo computer simulations are performed, and it is found that they are in excellent agreement with theoretical prediction.
Towards Complete Phase Diagrams of a Holographic P-wave Superconductor Model
Cai, Rong-Gen; Li, Li-Fang; Yang, Run-Qiu
2014-01-01
We study in detail the phase structure of a holographic p-wave superconductor model in a five dimensional Einstein-Maxwell-complex vector field theory with a negative cosmological constant. To construct complete phase diagrams of the model, we consider both the soliton and black hole backgrounds. In both two cases, there exist second order, first order and zeroth order phase transitions, and the so-called "retrograde condensation" also happens. In particular, in the soliton case with the mass of the vector field being beyond a certain critical value, we find a series of phase transitions happen such as "insulator/superconductor/insulator/superconductor", as the chemical potential continuously increases. We construct complete phase diagrams in terms of temperature and chemical potential and find some new phase boundaries.
Phase diagram of two-component bosons on an optical lattice
Energy Technology Data Exchange (ETDEWEB)
Altman, Ehud; Hofstetter, Walter; Demler, Eugene; Lukin, Mikhail D [Department of Physics, Harvard University, Cambridge, MA 02138 (United States)
2003-09-01
We present a theoretical analysis of the phase diagram of two-component bosons on an optical lattice. A new formalism is developed which treats the effective spin interactions in the Mott and superfluid phases on the same footing. Using this new approach we chart the phase boundaries of the broken spin symmetry states up to the Mott to superfluid transition and beyond. Near the transition point, the magnitude of spin exchange can be very large, which facilitates the experimental realization of spin-ordered states. We find that spin and quantum fluctuations have a dramatic effect on the transition, making it first order in extended regions of the phase diagram. When each species is at integer filling, an additional phase transition may occur, from a spin-ordered insulator to a Mott insulator with no broken symmetries. We determine the phase boundaries in this regime and show that this is essentially a Mott transition in the spin sector.
The Phase Diagram of QCD and Some Issues of Large N_c
Energy Technology Data Exchange (ETDEWEB)
McLerran,L.
2009-02-28
The large N{sub c} limit provides a good phenomenology of meson spectra and interactions, I discuss some problems with applying the large N{sub c} approximation to the description of baryons, and point out a number of apparent paradoxes and phenomenological difficulties.
Study of the QCD Phase Diagram using STAR at RHIC - Final Report
Energy Technology Data Exchange (ETDEWEB)
Westfall, Gary [Michigan State Univ., East Lansing, MI (United States)
2017-01-20
This grant supported the MSU STAR Group from April 1, 1998 to October 31, 2016. Originally the MSU STAR Group consisted of the principal investigator (PI), a staff physicist, and one graduate student. Funds were provided for half the summer salary of the PI, the full salary of the staff physicist, and half the costs associated with one graduate student. The other half of the PI’s summer salary and graduate student costs was covered by NSCL. In addition, this grant provided funds for travel and workstations related to STAR. Starting in 2009, the MSU STAR Group replaced the staff physicist with a postdoctoral scientist.
Magnetic phase diagram of magnetoelectric LiMnPO4
DEFF Research Database (Denmark)
Toft-Petersen, Rasmus; Andersen, Niels Hessel; Li, Haifeng;
2012-01-01
. At the bicritical field, we observe an increased intensity of the Lorentz broadened elastic scattering at magnetic Bragg peaks above TN as compared to zero field and 10 T, without an increase in peak width. This suggests an increased density of fluctuations at the bicritical field as compared to zero field.......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...... to the a axis to be nearly along the c axis at magnetic fields between 4 and 4.7 T, depending on temperature. The low-field antiferromagnetic phase boundary is shown to join the spin-flop line tangentially at the so-called bicritical point, where there is a suppression of the ordering temperature...
Universal phase diagram for high-piezoelectric perovskite systems
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 pres
Phase diagram of interacting spinless fermions on the honeycomb lattice
Capponi, Sylvain
2017-02-01
Fermions hopping on a hexagonal lattice represent one of the most active research fields in condensed matter since the discovery of graphene in 2004 and its numerous applications. Another exciting aspect of the interplay between geometry and quantum mechanical effects is given by the Haldane model (Haldane 1988 Phys. Rev. Lett. 61 2015), where spinless fermions experiencing a certain flux pattern on the honeycomb lattice leads to the stabilization of a topological phase of matter, distinct from a Mott insulator and nowadays dubbed Chern insulator. In this context, it is crucial to understand the role of interactions and this review will describe recent results that have been obtained for a minimal model, namely spinless fermions with nearest and next-nearest neighbour density-density interactions on the honeycomb lattice at half-filling. Topics addressed include an introduction of the minimal model and a discussion of the possible instabilities of the Dirac semimetal, a presentation of various theoretical and numerical approaches, and a summary of the results with a particular emphasis on the stability or not of some exotic quantum phases such as charge ordered ones (similar to Wigner crystals) and spontaneous Chern insulator phases.
Computational phase diagrams of noble gas hydrates under pressure.
Teeratchanan, Pattanasak; Hermann, Andreas
2015-10-21
We present results from a first-principles study on the stability of noble gas-water compounds in the pressure range 0-100 kbar. Filled-ice structures based on the host water networks ice-Ih, ice-Ic, ice-II, and C0 interacting with guest species He, Ne, and Ar are investigated, using density functional theory (DFT) with four different exchange-correlation functionals that include dispersion effects to various degrees: the non-local density-based optPBE-van der Waals (vdW) and rPW86-vdW2 functionals, the semi-empirical D2 atom pair correction, and the semi-local PBE functional. In the He-water system, the sequence of stable phases closely matches that seen in the hydrogen hydrates, a guest species of comparable size. In the Ne-water system, we predict a novel hydrate structure based on the C0 water network to be stable or at least competitive at relatively low pressure. In the Ar-water system, as expected, no filled-ice phases are stable; however, a partially occupied Ar-C0 hydrate structure is metastable with respect to the constituents. The ability of the different DFT functionals to describe the weak host-guest interactions is analysed and compared to coupled cluster results on gas phase systems.
Determination of the Fe-rich portion of the Fe-Ni-C phase diagram
Romig, A. D., Jr.; Goldstein, J. I.
1978-01-01
The iron-enriched section of the phase diagram for the ternary alloy Fe-Ni-C of various compositions is determined at 773, 873, 923, and 1003 C. The two-phase tie lines and three-phase tie triangles are measured by electron microprobe analyses. Tie lines in samples without bulk equilibrium are obtained by extrapolated interface compositions under the assumption of local equilibrium at the interface. It is shown that Ni addition somewhat reduces carbon solubility in austenite while decreasing the stability of the carbide phase. In particular, the carbide is always poor in Ni relative to the coexisting metal phase(s).
Phase diagram for the Eigen quasispecies theory with a truncated fitness landscape
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.
Potential dangers when phase shifts are used as a link between experiment and QCD
Svarc, Alfred
2012-01-01
Luscher has shown that in single channel problem (elastic region below first inelastic threshold) there exists a direct link between the discrete value of the energy in a finite QCD volume and the scattering phase shift at the same energy. However, when the extension of the theorem is made to the baryon resonance sector (multi-channel situation in the inelastic region above first inelastic threshold), eigenphases (diagonal multi-channel quantities) replace phase shifts (single channel quantities). It is necessary to stress that the renowned pi/2 resonance criterion is formulated for eigenphases and not for phase shifts, so the resonance extracting procedure has to be applied with utmost care. The potential instability of extracting eigenphases from experimental data which occurs if insufficient number of channels is used can be reduced if a trace function which explicitly takes multi-channel aspect of the problem into account is used instead of single-channel phase shifts.
The Cu-Li-Sn Phase Diagram: Isopleths, Liquidus Projection and Reaction Scheme.
Fürtauer, Siegfried; Flandorfer, Hans
2016-01-01
The Cu-Li-Sn phase diagram was constructed based on XRD and DTA data of 60 different alloy compositions. Eight ternary phases and 14 binary solid phases form 44 invariant ternary reactions, which are illustrated by a Scheil-Schulz reaction scheme and a liquidus projection. Phase equilibria as a function of concentration and temperature are shown along nine isopleths. This report together with an earlier publication of our group provides for the first time comprehensive investigations of phase equilibria and respective phase diagrams. Most of the phase equilibria could be established based on our experimental results. Only in the Li-rich part where many binary and ternary compounds are present estimations had to be done which are all indicated by dashed lines. A stable ternary miscibility gap could be found which was predicted by modelling the liquid ternary phase in a recent work. The phase diagrams are a crucial input for material databases and thermodynamic optimizations regarding new anode materials for high-power Li-ion batteries.
The Cu-Li-Sn Phase Diagram: Isopleths, Liquidus Projection and Reaction Scheme
Flandorfer, Hans
2016-01-01
The Cu-Li-Sn phase diagram was constructed based on XRD and DTA data of 60 different alloy compositions. Eight ternary phases and 14 binary solid phases form 44 invariant ternary reactions, which are illustrated by a Scheil-Schulz reaction scheme and a liquidus projection. Phase equilibria as a function of concentration and temperature are shown along nine isopleths. This report together with an earlier publication of our group provides for the first time comprehensive investigations of phase equilibria and respective phase diagrams. Most of the phase equilibria could be established based on our experimental results. Only in the Li-rich part where many binary and ternary compounds are present estimations had to be done which are all indicated by dashed lines. A stable ternary miscibility gap could be found which was predicted by modelling the liquid ternary phase in a recent work. The phase diagrams are a crucial input for material databases and thermodynamic optimizations regarding new anode materials for high-power Li-ion batteries. PMID:27788175
Experimental and computed phase diagrams of the Fe–Re system.
Breidi, A; Andasmas, M; Crivello, J-C; Dupin, N; Joubert, J-M
2014-12-03
In order to clarify controversial reports on the Fe-Re phase diagram, a new experimental investigation has been carried out. Three intermetallic phases have been evidenced, including the new report of the P phase found for the first time in a binary system. The phase relations involving the σ phase were established. In parallel, a first-principles study has been performed which provided the heat of formation of every ordered configuration for four intermetallic phases (D8(b), A12, A13 and P). The mixing energy of solid solutions (fcc, bcc, hcp) was calculated using the special quasi-random structure method. Calculations were performed with the help of the density functional theory, with and without spin polarization. From these results, in the frame of the Compound Energy Formalism using the Bragg-Williams approximation, the Fe-Re phase diagram has been computed without the use of adjustable parameters. Different thermodynamic parameters obtained experimentally and theoretically, as the site occupancies, are compared. The computed phase diagram presents several differences with the experimental one. To understand these differences, the influence of several parameters on the phase stability, such as the magnetic contribution has been evaluated.
Phase diagrams of a spin-1 Ising system with competing short- and long-range interactions.
Salmon, Octavio D Rodriguez; de Sousa, J Ricardo; Neto, Minos A
2015-09-01
We have studied the phase diagrams of the one-dimensional spin-1 Blume-Capel model with anisotropy constant D, in which equivalent-neighbor ferromagnetic interactions of strength -J are superimposed on nearest-neighbor antiferromagnetic interactions of strength K. A rich critical behavior is found due to the competing interactions. At zero temperature two ordered phases exist in the D/J-K/J plane, namely the ferromagnetic (F) and the antiferromagnetic one (AF). For lower values of D/J(D/J0.5, only phases AF and F exist and are separated by a line given by D/J=K/J. At finite temperatures, we found that the ferromagnetic region of the phase diagram in the k_{B}T/J-D/J plane is enriched by another ferromagnetic phase F^{^{'}} above a first-order line for 0.195
Phase Diagram of Iron, Revised-Core Temperatures
Energy Technology Data Exchange (ETDEWEB)
Ahrens, T.J.; Chen, G.Q.; Holland, K.G.
1999-01-27
Shock-wave experiments on iron preheated to 1,573 K conducted from 14 to 73 GPa, yield new data for sound velocities of the {gamma}- and liquid-phases. Melting was observed in the highest pressure ({approximately} 71 {+-} 2 GPa) experiments at calculated shock temperatures of 2,775 {+-} 160 K. This single crossing of the {gamma}-liquid boundary measured here agrees closely with the {gamma}-iron melting line determined by Boehler [1993], Saxena et al. [1993], and Jephcoat and Besedin [1997]. This {gamma}-iron melting curve is {approximately} 300 C lower than that of Shen et al. [1998b] at 80 GPa.
Water Phase Diagram Is Significantly Altered by Imidazolium Ionic Liquid
DEFF Research Database (Denmark)
Chaban, V. V.; Prezhdo, O. V.
2014-01-01
We report unusually large changes in the boiling temperature, saturated vapor pressure, and structure of the liquid-vapor interface for a range of 1-butyl-3-methyl tetrafluoroborate, [C4C1IM][BF4]-water mixtures. Even modest molar fractions of [C4C1IM][BF4] significantly affect the phase behavior...... of water, as represented, for instance, by strong negative deviations from Raoult's law, extending far beyond the standard descriptions. The investigation was carried out using classical molecular dynamics employing a specifically refined force field. The changes in the liquid-vapor interface and saturated...
First order phase transition in finite density QCD using the modulus of the Dirac determinant
Aloisio, R; Di Carlo, G; Galante, A; Grillo, A F
1998-01-01
We report results of simulations of strong coupling, finite density QCD obtained within a MFA inspired approach where the fermion determinant in the integration measure is replaced by its absolute value. Contrary to the standard wisdom, we show that within this approach a clear signal of a phase transition appears with a critical chemical potential in extremely good agreement with the results obtained with the Glasgow algorithm. The modulus of the fermion determinant seems therefore to preserve some of the relevant physical properties of the system. We also analyze the dependence of our results on the quark mass, including both the chiral and large mass limit, and the theory in the quenched approximation.
Phase diagram of boron carbide with variable carbon composition
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.
Finite size effects on the phase diagram of the thermodynamical cluster model
Mallik, S; Chaudhuri, G
2016-01-01
The thermodynamical cluster model is known to present a first-order liquid-gas phase transition in the idealized case of an uncharged, infinitely extended medium. However, in most practical applications of this model, the system is finite and charged. In this paper we study how the phase diagram is modified by finite size and Coulomb effects. We show that the thermodynamic anomalies which are associated to the finite system counterpart of first order phase transitions, are correctly reproduced by this effective model. However, approximations in the calculation of the grandcanonical partition sum prevent obtaining the exact mapping between statistical ensembles which should be associated to finite systems. The ensemble inequivalence associated to the transition persists in the presence of Coulomb, but the phase diagram is deeply modified with respect to the simple liquid-gas phase transition characteristic of the neutral system.
Properties of high-temperature phase diagram and critical point parameters in silica
Iosilevskiy, Igor; Solov'ev, Alexander
2013-01-01
Some uncertainties are discussed on the high-temperature phase boundaries and critical point parameters for gas-liquid phase transition in silica (SiO2). The thermal and caloric phase diagrams are compared and examined as being predicted by various theoretical approaches, such as the quasi-chemical representation, the wide-range semi-empirical equation of state and the ionic model under direct molecular dynamic simulation. The theoretical predictions are confronted with handbook recommendations and scanty experimental data on the equilibrium vapor composition over SiO2 boiling. Validity of conventional semi-empirical rules is tested for the theoretically predicted SiO2-phase diagrams. The non-congruence of gas-liquid phase transition in SiO2 is considered for this matter to be used as a modeling body to study the non-congruent evaporation in uranium dioxide and other uranium-bearing fuels at both existing and perspective nuclear reactors.
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)
Phase diagrams of colloidal spheres with a constant zeta-potential.
Smallenburg, Frank; Boon, Niels; Kater, Maarten; Dijkstra, Marjolein; van Roij, René
2011-02-21
We study suspensions of colloidal spheres with a constant zeta-potential within Poisson-Boltzmann theory, quantifying the discharging of the spheres with increasing colloid density and decreasing salt concentration. We use the calculated renormalized charge of the colloids to determine their pairwise effective screened-Coulomb repulsions. Bulk phase diagrams in the colloid concentration-salt concentration representation follow, for various zeta-potentials, by a mapping onto published fits of phase boundaries of point-Yukawa systems. Although the resulting phase diagrams do feature face-centered cubic and body-centered cubic phases, they are dominated by the (re-entrant) fluid phase due to the colloidal discharging with increasing colloid concentration and decreasing salt concentration.
The I=2 pipi S-wave Scattering Phase Shift from Lattice QCD
Beane, S R; Detmold, W; Lin, H W; Luu, T C; Orginos, K; Parreno, A; Savage, M J; Torok, A; Walker-Loud, A
2011-01-01
The pi+pi+ s-wave scattering phase-shift is determined below the inelastic threshold using Lattice QCD. Calculations were performed at a pion mass of m_pi~390 MeV with an anisotropic n_f=2+1 clover fermion discretization in four lattice volumes, with spatial extent L~2.0, 2.5, 3.0 and 3.9 fm, and with a lattice spacing of b_s~0.123 fm in the spatial direction and b_t b_s/3.5 in the time direction. The phase-shift is determined from the energy-eigenvalues of pi+pi+ systems with both zero and non-zero total momentum in the lattice volume using Luscher's method. Our calculations are precise enough to allow for a determination of the threshold scattering parameters, the scattering length a, the effective range r, and the shape-parameter P, in this channel and to examine the prediction of two-flavor chiral perturbation theory: m_pi^2 a r = 3+O(m_pi^2/Lambda_chi^2). Chiral perturbation theory is used, with the Lattice QCD results as input, to predict the scattering phase-shift (and threshold parameters) at the phys...
Partial phase diagram of Pd-Ag-Ru-Gd quaternary system
Institute of Scientific and Technical Information of China (English)
无
2005-01-01
On the basis of the Ag-Pd-Gd, Ag-Ru-Gd and Pd-Ru-Gd ternary systems, the partial phase diagram of Pd-Ag-Ru-Gd(Gd＜25% atom fraction) quaternary system has been studied by means of X-ray diffraction analysis, differential thermal analysis, electron probe microanalysis and optical microscopy.The 700℃ isothermal sections of the Ag-Pd-5Ru-Gd, Ag-Pd-20Ru-Gd and Ag-Pd-50Ru-Gd (Gd≤25%atom fraction) phase diagrams were determined respectively. And the 700℃ isothermal section of the PdAg-Ru-Gd (Gd≤25% atom fraction) quaternary system phase diagram was finally irferred. The section consists of four single-phase regions: solid solution Pd(Ag), (Ru), Pd3Gd and Ag51 Gd14; five two-phase regions: Pd(Ag) + (Ru), Pd(Ag) + Ag51 Gd14 , (Ru) + Ag51 Gd14 , Pd(Ag) + Pd3Gd and (Ru) +Pd3Gd; three three-phase regions: Pd(Ag) + Pd3Gd+ (Ru), Pd(Ag) + Ag51Gd14 + (Ru) and (Ru) +Ag51Gd14 + Pd3Gd; one four-phase region Pd(Ag) + (Ru) + Ag51Gd14 + Pd3Gd. No new quaternary intermetallic phase is found.
Axion field and the quark nugget's formation at the QCD phase transition
Liang, Xunyu; Zhitnitsky, Ariel
2016-10-01
We study a testable dark-matter (DM) model outside of the standard weakly interacting massive particle paradigm in which the observed ratio Ωdark≃Ωvisible for visible and dark-matter densities finds its natural explanation as a result of their common QCD origin when both types of matter (DM and visible) are formed at the QCD phase transition and both are proportional to ΛQCD. Instead of the conventional "baryogenesis" mechanism, we advocate a paradigm when the "baryogenesis" is actually a charge separation process which always occurs in the presence of the C P odd axion field a (x ). In this scenario, the global baryon number of the Universe remains zero, while the unobserved antibaryon charge is hidden in the form of heavy nuggets, similar to Witten's strangelets and compromise the DM of the Universe. In the present work, we study in great detail a possible formation mechanism of such macroscopically large heavy objects. We argue that the nuggets will be inevitably produced during the QCD phase transition as a result of Kibble-Zurek mechanism on formation of the topological defects during a phase transition. Relevant topological defects in our scenario are the closed bubbles made of the NDW=1 axion domain walls. These bubbles, in general, accrete the baryon (or antibaryon) charge, which eventually results in the formation of the nuggets and antinuggets carrying a huge baryon (antibaryon) charge. A typical size and the baryon charge of these macroscopically large objects are mainly determined by the axion mass ma. However, the main consequence of the model, Ωdark≈Ωvisible, is insensitive to the axion mass which may assume any value within the observationally allowed window 10-6 eV ≲ma≲10-3 eV . We also estimate the baryon-to-entropy ratio η ≡nB/nγ˜10-10 within this scenario. Finally, we comment on implications of these results to the axion search experiments, including the microwave cavity and the Orpheus experiments.
Notthoff, C; Feuerbacher, B; Franz, H; Herlach, D M; Holland-Moritz, D
2001-02-05
The phase selection process during the crystallization of undercooled metallic melts is studied in situ by combining the electromagnetic levitation technique with energy dispersive x-ray diffraction of synchrotron radiation. The crystallization of metastable bcc phase in binary Ni-V alloys was identified. A metastable phase diagram of Ni-V alloy is constructed, which shows the primarily solidifying phase as a function of composition and undercooling. The analysis within nucleation theory emphasizes the important role of metal oxide as a heterogeneous nucleation site controlling the phase selection.
Phase diagram and criticality of the two-dimensional prisoner's dilemma model
Santos, M.; Ferreira, A. L.; Figueiredo, W.
2017-07-01
The stationary states of the prisoner's dilemma model are studied on a square lattice taking into account the role of a noise parameter in the decision-making process. Only first neighboring players—defectors and cooperators—are considered in each step of the game. Through Monte Carlo simulations we determined the phase diagrams of the model in the plane noise versus the temptation to defect for a large range of values of the noise parameter. We observed three phases: cooperators and defectors absorbing phases, and a coexistence phase between them. The phase transitions as well as the critical exponents associated with them were determined using both static and dynamical scaling laws.
Universal limiting pressure for a three-flavor color superconducting PNJL model phase diagram
Ayriyan, A; Blaschke, D; Lastowiecki, R
2016-01-01
The phase diagram of a three-flavor Polyakov-loop Nambu-Jona-Lasinio model is analyzed for the case of isospin symmetric matter with color superconducting phases. The coexistence of chiral symmetry breaking and two-flavor color superconductivity (2SC phase) and a thermodynamic instability due to the implementation of a color neutrality constraint is observed. It is suggested to use a universal hadronization pressure to estimate the phase border between hadronic and quark-gluon plasma phases. Trajectories of constant entropy per baryon are analyzed for conditions appropriate for heavy-ion collisions in the NICA-FAIR energy range.
Phase diagram of the bosonic Kondo-Hubbard model
Energy Technology Data Exchange (ETDEWEB)
Foss-Feig, Michael; Rey, Ana Maria [JILA, National Institute of Standards and Technology, and University of Colorado, Boulder, Colorado 80309 (United States)
2011-11-15
We study a bosonic version of the Kondo lattice model with an onsite repulsion in the conduction band, implemented with alkali-metal atoms in two bands of an optical lattice. Using both weak- and strong-coupling perturbation theory, we find that at unit filling of the conduction bosons the superfluid-to-Mott-insulator transition should be accompanied by a magnetic transition from a ferromagnet (in the superfluid) to a paramagnet (in the Mott insulator). Furthermore, an analytic treatment of Gutzwiller mean-field theory reveals that quantum spin fluctuations induced by the Kondo exchange cause the otherwise continuous superfluid-to-Mott-insulator phase transition to be first order. We show that lattice separability imposes a serious constraint on proposals to exploit excited bands for quantum simulations, and discuss a way to overcome this constraint in the context of our model by using an experimentally realized nonseparable lattice. A method to probe the first-order nature of the transition based on collapses and revivals of the matter-wave field is also discussed.
Free cooling phase-diagram of hard-spheres with short- and long-range interactions
Gonzalez Briones, J.S.L.; Thornton, A.R.; Luding, S.
2014-01-01
We study the stability, the clustering and the phase-diagram of free cooling granular gases. The systems consist of mono-disperse particles with additional non-contact (long-range) interactions, and are simulated here by the event-driven molecular dynamics algorithm with discrete (short-range should
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...
Phase Diagram and Effective Shape of Semiflexible Colloidal Rods and Biopolymers
Dennison, M; Dijkstra, M.; van Roij, R.H.H.G.
2011-01-01
We study suspensions of semiflexible colloidal rods and biopolymers using an Onsager-type second-virial functional for a segmented-chain model. For mixtures of thin and thick fd virus particles, we calculate full phase diagrams, finding quantitative agreement with experimental observations. We show
State-of-the-art models for the phase diagram of carbon and diamond nucleation
Ghiringhelli, L.M.; Valeriani, C.; Los, J.H.; Meijer, E.J.; Fasolino, A.; Frenkel, D.
2008-01-01
We review recent developments in the modelling of the phase diagram and the kinetics of crystallization of carbon. In particular, we show that a particular class of bond-order potentials (the so-called LCBOP models) account well for many of the known structural and thermodynamic properties of carbon
Separable interactions and liquid 3He : V. Phase diagram in the presence of a Hubbard interaction
Capel, H.W.; Nijhoff, F.W.; Breems, A. den
1986-01-01
A comparison is made between the various extrema of the Landau expansion of liquid 3He derived in a previous paper. As an application the phase diagram is investigated in the presence of an external magnetic field assuming that the Hubbard interaction is small as compared to the pairing interaction
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...
Jolls, Kenneth R.; And Others
A technique is described for the generation of perspective views of three-dimensional models using computer graphics. The technique is applied to models of familiar thermodynamic phase diagrams and the results are presented for the ideal gas and van der Waals equations of state as well as the properties of liquid water and steam from the Steam…
Ejiri, S; Aoki, S; Kanaya, K; Ohno, H; Saito, H; Hatsuda, T; Maezawa, Y; Umeda, T
2010-01-01
We study scaling behavior of a chiral order parameter performing a simulation of two-flavor QCD with improved Wilson quarks. It has been shown that the scaling behavior of the chiral order parameter defined by a Ward-Takahashi identity agrees with the scaling function of the three-dimensional O(4) spin model at zero chemical potential. We extend the scaling study to finite density QCD. Calculating derivatives of the chiral order parameter with respect to the chemical potential in two-flavor QCD, the scaling property of chiral phase transition is discussed in the low density region. We moreover calculate the curvature of the phase boundary of the chirl phase transition in the temperature and chemical potential plane assuming the O(4) scaling relation.
Equivalence of Matrix Models for Complex QCD Dirac Spectra
Akemann, G
2003-01-01
Two different matrix models for QCD with a non-vanishing quark chemical potential are shown to be equivalent by mapping the corresponding partition functions. The equivalence holds in the phase with broken chiral symmetry. It is exact in the limit of weak non-Hermiticity, where the chemical potential squared is rescaled with the volume. At strong non-Hermiticity it holds only for small chemical potential. The first model proposed by Stephanov is directly related to QCD and allows to analyze the QCD phase diagram. In the second model suggested by the author all microscopic spectral correlation functions of complex Dirac operators can be calculated in the broken phase. We briefly compare those predictions to complex Dirac eigenvalues from quenched QCD lattice simulations.
Phases of QCD, Thermal Quasiparticles and Dilepton Radiation from a Fireball
Renk, T; Weise, W
2002-01-01
We calculate dilepton production rates from a fireball adapted to the kinematical conditions realized in ultrarelativistic heavy ion collisions over a broad range of beam energies. The freeze-out state of the fireball is fixed by hadronic observables. We use this information combined with the initial geometry of the collision region to follow the space-time evolution of the fireball. Assuming entropy conservation, its bulk thermodynamic properties can then be uniquely obtained once the equation of state (EoS) is specified. The high-temperature (QGP) phase is modelled by a non-perturbative quasiparticle model that incorporates a phenomenological confinement description, adapted to lattice QCD results. For the hadronic phase, we interpolate the EoS into the region where a resonance gas approach seems applicable, keeping track of a possible overpopulation of the pion phase space. In this way, the fireball evolution is specified without reference to dilepton data, thus eliminating it as an adjustable parameter in...
Low-pressure phase diagram of crystalline benzene from quantum Monte Carlo
Azadi, Sam
2016-01-01
We study the low-pressure (0 to 10 GPa) phase diagram of crystalline benzene using quantum Monte Carlo (QMC) and density functional theory (DFT) methods. We consider the $Pbca$, $P4_32_12$, and $P2_1/c$ structures as the best candidates for phase I and phase II. We perform diffusion quantum Monte Carlo (DMC) calculations to obtain accurate static phase diagrams as benchmarks for modern van der Waals density functionals. We use density functional perturbation theory to compute phonon contribution in the free-energy calculations. Our DFT enthalpy-pressure phase diagram indicates that the $Pbca$ and $P2_1/c$ structures are the most stable phases within the studied pressure range. The DMC Gibbs free-energy calculations predict that the room temperature $Pbca$ to $P2_1/c$ phase transition occurs at 2.1(1) GPa. This prediction is consistent with available experimental results at room temperature. Our DMC calculations show an estimate of 50.6$\\pm$0.5 kJ/mol for crystalline benzene lattice energy.
The phase diagram of random Boolean networks with nested canalizing functions
Peixoto, Tiago P
2010-01-01
We obtain the phase diagram of random Boolean networks with nested canalizing functions. Using the annealed approximation, we obtain the evolution of the number $b_t$ of nodes with value one, and the network sensitivity $\\lambda$, and we compare with numerical simulations of quenched networks. We find that, contrary to what was reported by Kauffman et al. [Proc. Natl. Acad. Sci. 2004 101 49 17102-7], these networks have a rich phase diagram, were both the "chaotic" and frozen phases are present, as well as an oscillatory regime of the value of $b_t$. We argue that the presence of only the frozen phase in the work of Kauffman et al. was due simply to the specific parametrization used, and is not an inherent feature of this class of functions. However, these networks are significantly more stable than the variants where all possible Boolean functions are allowed.
Solid/liquid phase diagram of the ammonium sulfate/succinic acid/water system.
Pearson, Christian S; Beyer, Keith D
2015-05-14
We have studied the low-temperature phase diagram and water activities of the ammonium sulfate/succinic acid/water system using differential scanning calorimetry and infrared spectroscopy of thin films. Using the results from our experiments, we have mapped the solid/liquid ternary phase diagram, determined the water activities based on the freezing point depression, and determined the ice/succinic acid phase boundary as well as the ternary eutectic composition and temperature. We also compared our results to the predictions of the extended AIM aerosol thermodynamics model (E-AIM) and found good agreement for the ice melting points in the ice primary phase field of this system; however, differences were found with respect to succinic acid solubility temperatures. We also compared the results of this study with those of previous studies that we have published on ammonium sulfate/dicarboxylic acid/water systems.
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....
Ab initio study of the composite phase diagram of Ni-Mn-Ga shape memory alloys
Sokolovskaya, Yu. A.; Sokolovskiy, V. V.; Zagrebin, M. A.; Buchelnikov, V. D.; Zayak, A. T.
2017-07-01
The magnetic and structural properties of a series of nonstoichiometric Ni-Mn-Ga Heusler alloys are theoretically investigated in terms of the density functional theory. Nonstoichiometry is formed in the coherent potential approximation. Concentration dependences of the equilibrium lattice parameter, the bulk modulus, and the total magnetic moment are obtained and projected onto the ternary phase diagram of the alloys. The stable crystalline structures and the magnetic configurations of the austenitic phase are determined.
Computing phase diagrams for a quasicrystal-forming patchy-particle system.
Reinhardt, Aleks; Romano, Flavio; Doye, Jonathan P K
2013-06-21
We introduce an approach to computing the free energy of quasicrystals, which we use to calculate phase diagrams for systems of two-dimensional patchy particles with five regularly arranged patches that have previously been shown to form dodecagonal quasicrystals. We find that the quasicrystal is a thermodynamically stable phase for a wide range of conditions and remains a robust feature of the system as the potential's parameters are varied. We also demonstrate that the quasicrystal is entropically stabilized over its crystalline approximants.
Kamala Latha, B.; Jose, Regina; Murthy, K. P. N.; Sastry, V. S. S.
2014-05-01
We investigate the phase sequence of biaxial liquid crystals, based on a general quadratic model Hamiltonian over the relevant parameter space, with a Monte Carlo simulation which constructs equilibrium ensembles of microstates, overcoming possible (free) energy barriers (combining entropic and frontier sampling techniques). The resulting phase diagram qualitatively differs from the universal phase diagram predicted earlier from mean-field theory (MFT), as well as the Monte Carlo simulations with the Metropolis algorithm. The direct isotropic-to-biaxial transition predicted by the MFT is replaced in certain regions of the space by the onset of an additional intermediate biaxial phase of very low order, leading to the sequence NB-NB1-I. This is due to inherent barriers to fluctuations of the components comprising the total energy, and may explain the difficulties in the experimental realization of these phases.
Institute of Scientific and Technical Information of China (English)
Hai Rong Pei; Xiao Yan; Xiao Zheng Lan
2012-01-01
Phase behavior of normal decane-dodecane (n-C10H22-C12H26,C10-C12) system confined in SBA-15 (Santa Barbara Amorphous,pore diameters 3.8,7.8,and 17.2 nm) has been studied by using differential scanning calorimetry.It has been found solid-liquid phase diagram of the C 10-C12/SBA-15 system is composed of a straight line (3.8 nm),a curve (7.8 nm) and a loop line (17.2 nm).The growth of the phase diagram clearly shows the size effect on phase behavior of binary alkanes.Phase behavior has been compared among the systems C10H22-C12H26/SBA-15,C12H26-C14H30/SBA-15 and C14H30-C16H34/SBA-15.
Benzocaine polymorphism: pressure-temperature phase diagram involving forms II and III.
Gana, Inès; Barrio, Maria; Do, Bernard; Tamarit, Josep-Lluís; Céolin, René; Rietveld, Ivo B
2013-11-18
Understanding the phase behavior of an active pharmaceutical ingredient in a drug formulation is required to avoid the occurrence of sudden phase changes resulting in decrease of bioavailability in a marketed product. Benzocaine is known to possess three crystalline polymorphs, but their stability hierarchy has so far not been determined. A topological method and direct calorimetric measurements under pressure have been used to construct the topological pressure-temperature diagram of the phase relationships between the solid phases II and III, the liquid, and the vapor phase. In the process, the transition temperature between solid phases III and II and its enthalpy change have been determined. Solid phase II, which has the highest melting point, is the more stable phase under ambient conditions in this phase diagram. Surprisingly, solid phase I has not been observed during the study, even though the scarce literature data on its thermal behavior appear to indicate that it might be the most stable one of the three solid phases.
Anisimov, M. P.
2016-12-01
One can find in scientific literature a pretty fresh idea of the nucleation rate surfaces design over the diagrams of phase equilibria. That idea looks like profitable for the nucleation theory development and for various practical applications where predictions of theory have no high enough accuracy for today. The common thermodynamics has no real ability to predict parameters of the first order phase transition. Nucleation experiment can be provided in very local nucleation conditions even the nucleation takes place from the critical line (in two-component case) down to the absolute zero temperature limit and from zero nucleation rates at phase equilibria up to the spinodal conditions. Theory predictions have low reliability as a rule. The computational chemistry has chance to make solution of that problem easier when a set of the used axiomatic statements will adapt enough progressive assumptions [1]. Semiempirical design of the nucleation rate surfaces over diagrams of phase equilibria have a potential ability to provide a reasonable quality information on nucleation rate for each channel of nucleation. Consideration and using of the nucleation rate surface topologies to optimize synthesis of a given phase of the target material can be available when data base on nucleation rates over diagrams of phase equilibria will be created.
DPPC-cholesterol phase diagram using coarse-grained Molecular Dynamics simulations.
Wang, Yin; Gkeka, Paraskevi; Fuchs, Julian E; Liedl, Klaus R; Cournia, Zoe
2016-11-01
Cholesterol-phospholipid bilayers continue to be the current state of the art in membrane models and serve as representative systems for studying the effect of cholesterol on the cell membrane. As the mixing of different lipid species requires long spatio-temporal scales, coarse-grained models have gained increasing popularity in modeling such membrane systems. In this paper, a systematic study of the MARTINI coarse-grained model for the DPPC-cholesterol binary system has been performed. We construct the phase diagram of DPPC lipid bilayers in the presence of different cholesterol concentrations and at different temperatures using coarse-grained Molecular Dynamics (MD) simulations with the MARTINI force field. The phase diagram based on the condensation effect is directly comparable to available experimental data and demonstrates qualitative agreement over all cholesterol concentrations. Self-assembled bilayers quantitatively reproduce experimental observables, such as lateral diffusion of lipids, electron density, area per lipid and lipid order parameters. The phase diagram of the DPPC-cholesterol binary system also reveals the profound effect of cholesterol on the physical properties of phospholipid bilayers such lipid order, diffusion, and fluidity. Cholesterol induces the liquid-ordered phase, which increases the fluidity of the phospholipid hydrocarbon chains above the gel to liquid-crystalline phase transition temperature and decreases it below the phase transition. The present study suggests that the MARTINI force field can be successfully used to obtain molecular level insights into cholesterol-DPPC model membranes. Copyright © 2016 Elsevier B.V. All rights reserved.
Ground-State Phase Diagram of Transverse Spin-2 Ising Model with Longitudinal Crystal-Field
Institute of Scientific and Technical Information of China (English)
无
2006-01-01
The transverse spin-2 Ising ferromagnetic model with a longitudinal crystal-field is studied within the mean-field theory based on Bogoliubov inequality for the Gibbs free energy. The ground-state phase diagram and the tricritical point are obtained in the transverse field Ω/z J-longitudinal crystal D/zJ field plane. We find that there are the first order-order phase transitions in a very smallrange of D/zJ besides the usual first order-disorder phase transitions and the second order-disorder phase transitions.