Pressure-induced structural phase transition in RbAu

Using the first principle method based on density functional theory, the structural and elastic properties calculations of RbAu have been performed. The results demonstrate that RbAu is stable in the CsCl structure (B2) at ambient pressure, which is in well agreement with the experimental results. And there exists a structural phase transition from CsCl-type structure (B2) to NaTi-type structure (B32) at the transition pressure of approximate 6 GPa. The pressure effects on the elastic properties are discussed and the elastic property calculation indicates elastic instability maybe provide phase transition driving force according to the variations relation of the elastic constant versus pressure.     

Quantum phase transition in spin glasses with multi-spin interactions

We examine the phase diagram of the p-interaction spin glass model in a transverse field. We consider a spherical version of the model and compare with results obtained in the Ising case. The analysis of the spherical model, with and without quantization, reveals a phase diagram very similar to that obtained in the Ising case. In particular, using the static approximation, reentrance is observed at low temperatures in both the quantum spherical and Ising models. This is an artifact of the approximation and disappears when the imaginary time dependence of the order parameter is taken into account. The resulting phase diagram is checked by accurate numerical investigation of the phase boundaries.     

Generalized Bose-Einstein phase transition in large-m component spin glasses

It is proposed to understand finite dimensional spin glasses using a 1/m expansion, where m is the number of spin components. It is shown that this approach predicts a replica symmetric state in finite dimensions. The point about which the expansion is made, the infinite-m limit, has been studied in the mean-field limit in detail and has a very unusual phase transition, rather similar to a Bose-Einstein phase transition but with N(2/5) macroscopically occupied low-lying states.     

Unusual structural phase transition in nanocrystalline zirconia

The present work is the first example demonstrating that a hydrous zirconia formed by precipitation can yield a nearly pure nanocrystalline monoclinic zirconia at a temperature as low as 320 °C. The X-ray diffraction pattern of the hydrous zirconia heated to 310 °C shows that diffraction peaks begin to emerge and reveals a just crystallized mixture of predominantly monoclinic zirconia (70%) with some tetragonal zirconia(30%). In other words, the hydrous zirconia formed in the present work yields the predominantly monoclinic structure coexisting with the tetragonal one as soon as crystallization starts at low temperature (310 °C). This is an important exception to the general principle that amorphous zirconia precursors first convert to the tetragonal structure of zirconia with increasing calcination temperature and then transform to the monoclinic one at a higher temperature (∼600 °C). At the crystallization temperature (310 °C), the monoclinic crystallite size is about 17 nm and the tetragonal one 28 nm. The monoclinic crystallite is much smaller than the tetragonal one with which it co-exists. This result is also not consistent with the traditional view that a critical particle size effect is responsible for the stability of the tetragonal and monoclinic structures. When the temperature (310 °C) is slightly raised to 320 °C, the XRD pattern shows a nearly pure monoclinic zirconia. The crystallite size of the monoclinic zirconia is around 15 nm, and it does not change appreciably as calcination temperature is increased from 320 to or above 400 °C. The unusual structural phase transition has been investigated by several complementary experimental tools: X-raydiffraction and surface analyses, and infrared and Raman spectroscopies. PACS 81.07.-b; 64.70.Nd; 82.80.-d; 78.67.-n; 81.05.Je     

A structural phase transition in squaric acid

Squaric acid (3,4-dihydroxy-3-cyclobutene-1,2-dione) is found to undergo a second order antiferrodistortive tetragonal to monoclinic phase transition at 97.7°C. The transition temperature for the fully deuterated compound is 243°C. The crystals are optically biaxial negative at room temperature, and the partial birefringence decreases with temperature as (n_z ? n_y)α(T_C ? T)^β, where β_H = 0.34 ± 0.02 and β_D = 0.37 ± 0.04.     

Pressure-induced structural phase transition of iodine

The structural phase transition of iodine was observed at about 210 kbar and at room temperature by the high-pressure x-ray diffraction technique using a diamond-anvil cell and a position-sensitive detector. It was found to occur reversibly in both processes of increasing and decreasing pressure.     

Dynamical first-order phase transition in kinetically constrained models of glasses

We show that the dynamics of kinetically constrained models of glass formers takes place at a first-order coexistence line between active and inactive dynamical phases. We prove this by computing the large-deviation functions of suitable space-time observables, such as the number of configuration changes in a trajectory. We present analytic results for dynamic facilitated models in a mean-field approximation, and numerical results for the Fredrickson-Andersen model, the East model, and constrained lattice gases, in various dimensions. This dynamical first-order transition is generic in kinetically constrained models, and we expect it to be present in systems with fully jammed states.     

The magnetic phase transition in amorphous ferromagnets and in spin glasses

The magnetic phase transition in materials with exchange disorder (amorphous ferromagnets, spin glasses) is discussed. In the critical temperature range the behavior of amorphous ferromagnetic transition metal-metalloid glasses is found to be similar to the one derived for a three-dimensional homogeneous Heisenberg ferromagnet. The most prominent difference between disordered and homogeneous materials is manifested in a large temperature range of deviations from the mean field behavior beyond the critical region, as observed experimentally for the temperature dependence of the linear susceptibility of amorphous ferromagnets and of the nonlinear susceptibility of spin glasses. A molecular field theory with correlations in space and time is developed, which relates the deviations from the mean field behavior to the interplay between the temperature dependent thermal correlations in the spin system and the spatial fluctuations of the material. Application to dynamical processes (kinetic critical slowing down) is discussed.     

High pressure structural phase transition in uranium monochalcogenides

The pressure induced phase transition in uranium monochalcogenides, UX (X = S, Se, and Te) is studied by two-body potential approach. It is found that US, USe and UTe undergo a structural phase transition from NaCl (B1) type to CsCl (B2) type at 78.5, 21 and 9.5 GPa, respectively, which is in good agreement with the recent experimental data. In addition, second-order elastic constants (SOECs) (C ₁₁, C ₁₂ and C ₁₄) have been calculated which can be used to establish the nature of the forces in these materials. The present study shows that the considered two-body potential model can be used to predict the phase transition pressure in UX compounds provided the strength and hardness parameters in B1 and B2 phases are different.     

Order-disorder phase transition in a cliquey social network

We investigate the network model of community by Watts, Dodds and Newman (D.J. Watts et al., Science 296, 1302 (2002)) as a hierarchy of groups, each of 5 individuals. A homophily parameter α controls the probability proportional to exp (-αx) of selection of neighbours against distance x. The network nodes are endowed with spin-like variables s_i = ± 1, with Ising interaction J > 0. The Glauber dynamics is used to investigate the order-disorder transition. The transition temperature T_c is close to 3.8 for α < 0.0 and it falls down to zero above this value. The result provides a mathematical illustration of the social ability to a collective action via weak ties, as discussed by Granovetter in 1973.     

Universal scaling of the conductivity at the superfluid-insulator phase transition

The scaling of the conductivity at the superfluid-insulator quantum phase transition in two dimensions is studied by numerical simulations of the Bose-Hubbard model. In contrast to previous studies, we focus on properties of this model in the experimentally relevant thermodynamic limit at finite temperature T. We find clear evidence for deviations from omega k scaling of the conductivity towards omega k/T scaling at low Matsubara frequencies omega k. By careful analytic continuation using Padé approximants we show that this behavior carries over to the real frequency axis where the conductivity scales with omega/T at small frequencies and low temperatures. We estimate the universal dc conductivity to be sigma* = 0.45(5)Q2/h, distinct from previous estimates in the T = 0, omega/T > 1 limit.     

Universal properties of bulk viscosity near the QCD phase transition

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)$O(4)$ universality class at zero baryon density as well as the transition at the chiral critical point which belongs to the Z(2)$Z(2)$ 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 phenomena.     

On the structural phase transition in rare earth elpasolites

The structural phase transition in two representatives of the rare earth elpasolite fluorides, Rb₂NaHoF₆ and Rb₂NaTmF₆, are studied in detail. The symmetry of the soft mode is determined from Raman spectra, X-ray and neutron powder diffraction data to be ₄ ⁺ . From the temperature dependence of the elastic constants of both compounds, estimates of various phase transition parameters are given, e.g. strain soft mode coupling constant and soft mode frequency. The softening of the elastic constants forT>T _c is explained by the strain coupling to the fluctuations of the soft mode coordinates. The energy of the soft phonon at the zone boundary is estimated from the data and compared with that of K₂ReCl₆. The phase transition mechanisms in rare earth elpasolites and hexahalometallates are discussed.     

Unstability and phase transition splitting in perovskites at non-ferroelectric structural phase transitions

This report considers the critical behaviour of perovskites near non-ferroelectric phase transition taking into account the elastic degrees of freedom. It is unambigously shown that only the first-order transitions may occur in this type of crystal. This paper points out that splitting of continuous phase transition into two first order transitions with non-Landau intermediate phase may take place. Estimations given in the work allowing to look for materials in which such splitting is possible purposefully.     

Routing strategies in traffic network and phase transition in network traffic flow

The dynamics of information traffic over scale-free networks has been investigated systematically. A series of routing strategies of data packets have been proposed, including the local routing strategy, the next-nearest-neighbour routing strategy, and the mixed routing strategy based on local static and dynamic information. The capacity of the network can be quantified by the phase transition from free flow state to congestion state. The optimal parameter values of each model leading to the highest efficiency of scale-free networked traffic systems have been found. Moreover, we have found hysteretic loop in networked traffic systems with finite packets delivering ability. Such hysteretic loop indicates the existence of the bi-stable state in the traffic dynamics over scale-free networks.      

Exactly solvable model of a structural phase transition

An exactly solvable d-dimensional model for the structural phase transition with long-range anharmonic interaction is considered. Classical as well as purely quantum regimes are discussed within the framework of the method of approximating Hamiltonians.     

Soft mode at an incommensurate structural phase transition

We show within the RPA approximation that a soft mode is associated with an incommensurate structural phase transition in a simple microscopic model of two level ions interacting with the phonons of a crystal.     

Universal transition state for high-pressure zinc blende to rocksalt phase transitions

First-principles density functional calculations show that the high-pressure transitions of different semiconductors from zinc blende to rocksalt go through a transition state, which is universal in the sense that its position along the path and the corresponding geometry is independent of the chemical components of the semiconductor. This is explained using a Landau-like model expansion of the free energy in cosine functions of atomic position.