The Fe–Fe2P phase diagram at 6 GPa

Here, we report experimental results on melting and subsolidus phase relations in the Fe–Fe₂P system at 6?GPa and 900–1600°C. The system has two P-bearing compounds: Fe₃P and Fe₂P. X-ray diffraction patterns of these compounds correspond to schreibersite and barringerite, respectively. The Fe–Fe₃P eutectic appears at 1075°C and 16?mol% P. Schreibersite (Fe₃P) melts incongruently at 1250°C to produce barringerite (Fe₂P) and liquid containing 23?mol% P. Barringerite (Fe₂P) melts congruently at 1575°C. Maximum solid solution of P in metallic iron at 6?GPa is 5?mol%. As temperature increases to 1600°C, the P solubility in the metallic iron decreases to 0.5?mol%, whereas the P content in coexisting liquid decreases to 3?mol%. The composition of quenched phases from Fe–P melt coincides with the compositions of equilibrium phases at corresponding temperature. Consequently, the composition of quenched products of Fe-P melts in meteorites can be used for reconstruction of P–T conditions of their crystallization under ambient or low pressures or during shock melting by impact collisions.     

The low temperature magnetic phase diagram of EuxSr1−xTiO3

Specific heat and magnetization measurements demonstrate that the antiferromagnetic (AFM) phase transition at T _N  = 5.7 K of EuTiO₃ is rapidly suppressed with Sr doping in Eu _x Sr_1?x TiO₃. Close to x = 0.25, T _N  = 0 K and AFM order vanishes. Above this critical concentration a finite transition temperature to an AFM phase is observed. The exchange couplings are derived as a function of x and the corresponding low temperature phase diagram is presented.     

The Tomonaga–Luttinger liquid with quantum impurity revisited: Critical line and phase diagram

We revisit the $(1+1)$ dimensional field theoretical model, which describes the Tomonaga–Luttinger liquid (TLL), interacting with a static impurity at the origin of the half line. Applying the Fermi–Bose equivalence and finite conformal transformations only, we map the model onto the Schmid model. Some details of the bosonization procedure have been given. The critical line and the phase diagram of the model follow from the renormalization group analysis of the Schmid model. The obtained critical line of the model is a hyperbola in the parameter space of the two couplings of the TLL.     

304不锈钢高温NaNO3/KNO3二元熔盐流动腐蚀机理研究

熔融盐以其优良的性能在太阳能热发电站中常被用作储热和蓄热介质,然而由于蓄热的熔融盐工作温度高达500?600℃,这就使得熔融盐对蓄热系统材料的腐蚀成为一个关键问题。本文以美国新月沙丘塔式熔盐太阳能热电站为原型,针对其运行情况,自主设计并搭建旋转式高温NaNO3/KNO3二元熔盐腐蚀特性模拟实验系统,探究了304不锈钢在特定温度、不同流速、不同时间协同作用下的腐蚀动力学特性,并利用SEM、EDX、XRD等分析测试技术探索材料表面的微观腐蚀形貌和腐蚀产物形态及元素组成,揭示了304不锈钢在高温流动熔融盐中的腐蚀行为规律和腐蚀机理。     

On the phase diagram of a two-dimensional electron–hole system

The phase diagram for a system of spatially separated electrons and holes in coupled quantum wells or graphene double layers is studied in the framework of a BCS-like mean-field approach and a Landau expansion in terms of the pairing order parameter. We find a second order transition between an electron–hole plasma and a BCS phase, as well as a first-order transition between the BCS phase and a bosonic Mott phase of tightly bound electron–hole pairs without phase coherence. The electron–hole plasma exists at low and at high densities for weak interaction, the BCS phase at moderate density and the Mott phase at high density and strong interaction.     

Ground-state phase diagram of the 1-D Holstein–Hubbard model

The Holstein–Hubbard model is investigated in one-dimension at half filling employing a series of unitary transformations taking into account the coherence and correlation of phonons. To treat the phonon subsystem more accurately a new squeezing transformation is introduced to incorporate the electron-density-dependent onsite phonon correlations to lower the energy further. The effective electronic Hamiltonian is next obtained by averaging the transformed Hamiltonian with respect to the zero-phonon state and the resulting effective electronic Hamiltonian is solved exactly using the method of Bethe ansatz. Finally the ground state is obtained by minimizing the energy with respect to all the variational parameters. The present method gives better results for the ground state energy of the system and also suggests the existence of a wider intermediate metallic phase at the charge-density-wave–spin-density-wave crossover region, which was first predicted by Takada and Chatterjee and later supported by Krishna and Chatterjee.     

Isotopic effect in the solid–liquid phase diagram of quantum clusters

Applying the Fourier path integral formalism to the isothermal-isobaric ensemble, the solid–liquid transition for 13-atom pure Lennard–Jones clusters was characterized. The masses of the clusters were taken as the masses of hydrogen, deuterium and tritium, hence isotopic effects of quantum clusters were considered. The parallel tempering Monte Carlo algorithm was used to solve all multidimensional integral in the FPI method. The volume of the system was defined with respect to the centroids of the quantum particles and a variable constraining potential was used to restrict undesirable thermodynamic events. The maximum value of the constant pressure heat capacity at a given temperature was used to identify the melting temperature. Pressure versus temperature phase diagrams were constructed for these systems with and without the inclusion of quantum effects. A significant difference in the melting temperature was encountered for the different isotopes due to quantum contribution.     

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

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

Calculation of the structure properties and P–T phase diagram of hafnium

Abstract

The full-potential linear muffin-tin orbitals (FP-LMTO) method is used to calculate the total energy and equilibrium lattice properties for the observed phases of Hf. The temperature and pressure dependences of the Gibbs energy are found for these structures within the Debye model. A quantitative agreement with the experimental points of the P-T phase diagram is obtained.     

The phase structure of Einstein–Cartan theory

In the Einstein–Cartan theory of torsion-free gravity coupling to massless fermions, the four-fermion interaction is induced and its strength is a function of the gravitational and gauge couplings, as well as the Immirzi parameter. We study the dynamics of the four-fermion interaction to determine whether effective bilinear terms of massive fermion fields are generated. Calculating one-particle-irreducible two-point functions of fermion fields, we identify three different phases and two critical points for phase transitions characterized by the strength of four-fermion interaction: (1) chiral symmetric phase for massive fermions in strong coupling regime; (2) chiral symmetric broken phase for massive fermions in intermediate coupling regime; (3) chiral symmetric phase for massless fermions in weak coupling regime. We discuss the scaling-invariant region for an effective theory of massive fermions coupled to torsion-free gravity in the low-energy limit.     

Detecting a first-order transition in the QCD phase diagram with baryon–baryon correlations

We suggest baryon–baryon correlations as an experimentally accessible signature for a first-order phase transition between a baryon-rich phase, like quarkyonic, and a baryon-suppressed hadronic phase in the QCD phase diagram. We examine the consequences of baryon-rich bubble formation in an expanding medium and show how the two-particle correlations vary in the transverse and longitudinal direction depending on the strength of the radial flow, the bubble temperature, and the time when the baryons are emitted.     

Random-bond and random-anisotropy effects in the phase diagram of the Blume–Capel model

We report on Monte Carlo studies of the influence of quenched randomness on the phase diagram of the three-dimensional (3D) Blume–Capel model. The randomness is supposed to act either on the exchange coupling constants (bond randomness) or on the anisotropy distribution. With increasing disorder, first-order phase transitions are shown to change into second-order phase transitions. The trajectory of the tricritical point in the phase space as a function of disorder is presented. We have also calculated critical exponents at some points in the second-order phase region which show a change of universality class in agreement with the Harris criterion.     

Ab initio study of the composite phase diagram of Ni–Mn–Ga shape memory alloys

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.     

The phase diagram of single crystal [(CH3)4N]2CuBrxCl4−x solid solutions

Differential scanning calorimetry (DSC) and X-ray measurements give evidence on a complete miscibility within the solid solution system [(CH₃)₄N]₂CuBr_xCl_4−x. In addition to the known phase sequences of pure components, some new phases appear for intermidiate concentrations. Out of five triple points observed in the phase diagram, one seems to be a Lifshitz point between a paraelectric, an incommensurate and a ferroelectric phase.     

Generic phase diagram of Nd2−xCexCuO4

We investigated the generic phase diagram of the electron doped superconductor, Nd_2?xCe_xCuO₄, using films prepared by metal organic decomposition. After careful oxygen reduction treatment to remove interstitial O_ap atoms, we found that the T_c increases monotonically from 24 K to 29 K with decreasing x from 0.15 to 0.00, demonstrating a quite different phase diagram from the previous bulk one. Based on the discussion on the tremendous influence of O_ap “impurities” on superconductivity in T′ cuprates, we conclude that our result represents the generic phase diagram for oxygen-stoichiometric Nd_2?xCe_xCuO₄.     

Global phase diagram of a spin–orbit-coupled Kondo lattice model on the honeycomb lattice

Motivated by the growing interest in the novel quantum phases in materials with strong electron correlations and spin–orbit coupling, we study the interplay among the spin–orbit coupling, Kondo interaction, and magnetic frustration of a Kondo lattice model on a two-dimensional honeycomb lattice.We calculate the renormalized electronic structure and correlation functions at the saddle point based on a fermionic representation of the spin operators.We find a global phase diagram of the model at half-filling, which contains a variety of phases due to the competing interactions.In addition to a Kondo insulator, there is a topological insulator with valence bond solid correlations in the spin sector, and two antiferromagnetic phases.Due to the competition between the spin–orbit coupling and Kondo interaction, the direction of the magnetic moments in the antiferromagnetic phases can be either within or perpendicular to the lattice plane.The latter antiferromagnetic state is topologically nontrivial for moderate and strong spin–orbit couplings.     

The QCD phase boundary from quark–gluon dynamics

We study one-flavor QCD at finite temperature and chemical potential using the functional renormalization group. We discuss the chiral phase transition in QCD and its order with its underlying mechanism in terms of quarks and gluons and analyze the dependence of the phase-transition temperature on small quark chemical potentials. Our result for the curvature of the phase boundary at small quark chemical potential relies on only a single input parameter, the value of the strong coupling at the Z mass scale.     

γ-and α-Ce phase diagram: First-principle calculation

Controversies about the phase diagram for the isostructural γ ? α phase transition of cerium have long been standing out for several decades. To seek insight into the problems, high-precision equations of state(EOS) for γ-and α-cerium are constructed based on first-principle calculation. Versus previous works, the strong anharmonic effects of ion vibration and the variation of magnetism of γ-cerium are stressed. The new EOS generally agrees well with experimental data regarding thermodynamics, phase diagrams, and phase transitions. However, new EOS predicts that another part of phase boundary in pressure-temperature space may exist except for the commonly known boundary. In addition, the well-known critical point seems to be a critical point for γ-cerium to translate from a stable state to an unstable state.