Crystal structure,phase transitions,and thermodynamic properties of magnesium metavanadate(MgV_(2)O_(6))

As a promising anode material for magnesium ion rechargeable batteries,magnesium metavanadate(MgV_(2)O_(6))has attracted considerable research interest in recent years.A MgV_(2)O_(6)sample was synthesized via a facile solid-state reaction by multistep-firing stoichiometric mixtures of MgO and V2O5 powder under an air atmosphere.The solid-state phase transition fromα-MgV_(2)O_(6)toβ-MgV_(2)O_(6)occurred at 841 K and the enthalpy change was 4.37±0.04 kJ/mol.The endothermic effect at 1014 K and the enthalpy change was 26.54±0.26 kJ/mol,which is related to the incongruent melting ofβ-MgV_(2)O_(6).In situ XRD was performed to investigate phase transition of the as-prepared MgV_(2)O_(6)at high temperatures.The cell parameters obtained by Rietveld refinement indicated that it crystallizes in a monoclinic system with the C2/m space group,and the lattice parameters of a=9.280 A°,b=3.501 A°,c=6.731 A°,β=111.76°.The solid-state phase transition fromα-MgV_(2)O_(6)toβ-MgV_(2)O_(6)was further studied by thermal kinetics,indicating that this process is controlled first by a fibril-like mechanism and then by a spherulitic-type mechanism with an increasing heating rate.Additionally,the enthalpy change of MgV_(2)O_(6)at high temperatures was measured utilizing the drop calorimetry,heat capacity was calculated and given as:Cp=208.3+0.03583T-4809000T^(−2)(298-923 K)(J mol^(−1)K^(−1)),the high-temperature heat capacity can be used to calculate Gibbs free energy of MgV_(2)O_(6)at high temperatures.

Pressure-induced structural,electronic,and superconducting phase transitions in TaSe_(3)

TaSe_(3)has garnered significant research interests due to its unique quasi-one-dimensional crystal structure,which gives rise to distinctive properties.Using crystal structure search and first-principles calculations,we systematically investigated the pressure-induced structural and electronic phase transitions of quasi-one-dimensional TaSe_(3)up to 100 GPa.In addition to the ambient pressure phase(P2_(1)/m-I),we identified three high-pressure phases:P2_(1)/m-II,Pnma,and Pmma.For the P2_(1)/m-I phase,the inclusion of spin-orbit coupling(SOC)results in significant SOC splitting and changes in the band inversion characteristics.Furthermore,band structure calculations for the three high-pressure phases indicate metallic natures,and the electron localization function suggests ionic bonding between Ta and Se atoms.Our electron-phonon coupling calculations reveal a superconducting critical temperature of approximately 6.4 K for the Pmma phase at 100 GPa.This study provides valuable insights into the high-pressure electronic behavior of quasi-one-dimensional TaSe_(3).

New approach to measuring topological phase transitions utilizing Floquet technology

The Floquet technique provides a novel anomalous topological phase for non-equilibrium phase transitions.Based on the high symmetry of the quantum anomalous Hall model,the findings suggest a one-to-one correspondence between the average spin texture and the Floquet quasi-energy spectrum.A new approach is proposed to directly measure the quasienergy spectrum,replacing previous measurements of the average spin texture.Finally,we proposed a reliable experimental scheme based on ion trap platforms.This scheme markedly reduces the measurement workload,improves the measurement fidelity,and is applicable to multiple platforms such as cold atoms and nuclear magnetic resonance.

Triple points and phase transitions of D-dimensional dyonic Ad S black holes with quasitopological electromagnetism in Einstein–Gauss–Bonnet gravity

By considering the negative cosmological constant Λ as a thermodynamic pressure, we study the thermodynamics and phase transitions of the D-dimensional dyonic Ad S black holes(BHs) with quasitopological electromagnetism in Einstein–Gauss–Bonnet(EGB) gravity. The results indicate that the small/large BH phase transition that is similar to the van der Waals(vdW) liquid/gas phase transition always exists for any spacetime dimensions. Interestingly, we then find that this BH system exhibits a more complex phase structure in 6-dimensional case that is missed in other dimensions.Specifically, it shows for D = 6 that we observed the small/intermediate/large BH phase transitions in a specific parameter region with the triple point naturally appeared. Moreover, when the magnetic charge turned off, we still observed the small/intermediate/large BH phase transitions and triple point only in 6-dimensional spacetime, which is consistent with the previous results. However, for the dyonic Ad S BHs with quasitopological electromagnetism in Einstein–Born–Infeld(EBI) gravity, the novel phase structure composed of two separate coexistence curves observed by Li et al. [Phys. Rev. D105 104048(2022)] disappeared in EGB gravity. This implies that this novel phase structure is closely related to gravity theories, and seems to have nothing to do with the effect of quasitopological electromagnetism. In addition, it is also true that the critical exponents calculated near the critical points possess identical values as mean field theory. Finally, we conclude that these findings shall provide some deep insights into the intriguing thermodynamic properties of the dyonic Ad S BHs with quasitopological electromagnetism in EGB gravity.

Floquet dynamical quantum phase transitions in transverse XY spin chains under periodic kickings

Floquet dynamical quantum phase transitions(DQPTs),which are nonanalytic phenomena recuring periodically in time-periodic driven quantum many-body systems,have been widely studied in recent years.In this article,the Floquet DQPTs in transverse XY spin chains under the modulation ofδ-function periodic kickings are investigated.We analytically solve the system,and by considering the eigenstate as well as the ground state as the initial state of the Floquet dynamics,we study the corresponding multiple Floquet DQPTs emerged in the micromotion with different kicking moments.The rate function of return amplitude,the Pancharatnam geometric phase and the dynamical topological order parameter are calculated,which consistently verify the emergence of Floquet DQPTs in the system.

Investigation on influence of alloying on phase transitions of duplex stainless steel based on thermochemical calculation

This paper investigated on influence of different alloying elements added into duplex stainless steel (DSS) on phase transitions using thermochemical methods in comparison with experiment.The results showed that the most possible species in the ferrite phase,austenite phase,σphase,Hcp phase,χphase,and carbide were Cr:Va-type,Fe:Va-type,Ni:Cr:Mo-type,Cr_(2)N-type,Fe_(24)Mo_(10)Cr_(24)-type,and Cr:Mo:C-type,respectively.Furthermore,the Ni,N,Cr,and Mo alloying had significant influences on the transition of each DSS phase.The Ni and N additions obviously raised the temperature at ferrite-1/austenite-1 balance while the Cr and Mo decreased the dual-phase balance temperature.In addition,the Ni addition can promote the precipitating ofσphase at relatively high temperature while the precipitating of Hcp phase at relatively low temperature.The Hcp phase andχphase can be obviously increased by the N addition.The introduction of Cr and Mo notably enhances the precipitation ofσphase.However,the promotion ofχphase precipitation is facilitated by the presence of Mo,while the Cr element acts as an inhibitor forχphase precipitation.Furthermore,the ferrite/austenite ratio tested by experiment was higher than that calculated by thermochemical methods,thus pre-designed solution temperature should be lower about 30-100℃than that calculated by thermochemical methods.

Machine learning potential for Ab Initio phase transitions of zirconia

Zirconia has been extensively used in aerospace,military,biomedical and industrial fields due to its unusual combination of high mechanical,electrical and thermal properties.However,the fundamental and critical phase transition process of zirconia has not been well studied because of its difficult first-order phase transition with formidable energy barrier.Here,we generated a machine learning interatomic potential with ab initio accuracy to discover the mechanism behind all kinds of phase transition of zirconia at ambient pressure.The machine learning potential precisely characterized atomic interactions among all zirconia allotropes and liquid zirconia in a wide temperature range.We realized the challenging reversible first-order monoclinic-tetragonal and cubicliquid phase transition processes with enhanced sampling techniques.From the thermodynamic information,we gave a better understanding of the thermal hysteresis phenomenon in martensitic monoclinic-tetragonal transition.The phase diagram of zirconia from our machine learning potential based molecular dynamics simulations corresponded well with experimental results.

Phase transitions, micro-morphology and its oxidation mechanism in oxidation of ilmenite (FeTiO_3) powder

Phase transitions, morphology changes, and oxidation mechanism of the ilmenite oxidation process were investigated. FeTi03 transforms to hematite and rutile when oxidation at 700-800 ℃, and pseudobrookite is formed when the oxidation temperature reaches 900 ℃. The initial ilmenite powder exhibits paramagnetism; however, after being oxidized at the intermediate temperature （800-850 ℃）, the oxidation product exhibits weak ferromagnetism. The oxidation mechanism was discussed. The microstructure observations show that a lot of micro-pores emerge on the surfaces of ilmenite particles at the intermediate temperature, which is deemed to be caoable ofenhancin~ the mass transfer ofoxgen during oxidation.

Magnesium vapor nucleation in phase transitions and condensation under vacuum conditions

Recent findings related to coagulable magnesium vapor nucleation and growth in vacuum were assessed critically, with emphasis on understanding these processes at a fundamental molecular level. The effects of magnesium vapor pressure, condensation temperature, and condensation zone temperature gradient on magnesium vapor nucleation in phase transitions and condensation from atomic collision and coacervation with collision under vacuum conditions were discussed. Magnesium powder and magnesium lump condensates were produced under different conditions and characterized by scanning electron microscopy （SEM） and energy-dispersive X-ray spectroscopy （EDS）. The right condensation zone temperature approach to the liquid transition primarily improved the magnesium vapor concentration rate. The gas-solid phase transition was primarily inhibited by setting a small condenser temperature gradient. Under the right condensation temperature and temperature gradients, increasing magnesium vapor partial pressure improved crystallization and reduced the oxidation rate.

Dielectric properties and phase transitions of La_2O_3- and Sb_2O_3-doped barium strontium titanate ceramics

The dielectric properties and phase transition characteristics of La2O3- and Sb2O3-doped barium strontium titanate ceramics prepared by solid state route were investigated. The microstructure was identified by X-ray diffraction method and scanning electron microscope was also employed to observe the surface morphologies. It is found that （La,Sb）-codoped barium strontium titanate ceramics exhibit typical perovskite structure and the average grain size decreases dramatically with increasing the content of Sb2O3. Both La3＋ ions and Sb3＋ ions occupy the A-sites in perovskite lattice. The dielectric constant and dielectric loss of barium strontium titanate based ceramics are obviously influenced by La2O3 as well as Sb2O3 addition content. The tetragonal-cubic phase transition of La2O3 modified barium strontium titanate ceramics is of second order and the Curie temperature shifts to lower value with increasing the La2O3 doping content. The phase transition of （La,Sb）-codoped barium strontium titanate ceramics diffuses and the deviation from Curie-Weiss law becomes more obvious with the increase in Sb2O3 concentration. The temperature corresponding to the dielectric constant maximum of （La,Sb）-codoped barium strontium titanate ceramics decreases with increasing the Sb2O3 content, which is attributed to the replacement of host ions by the Sb3＋ ions.

Monogamy quantum correlation near the quantum phase transitions in the two-dimensional XY spin systems

We investigate the role of quantum correlation around the quantum phase transitions by using quantum renormalization group theory. Numerical analysis indicates that quantum correlation as well as quantum nonlocality can efficiently detect the quantum critical point in the two-dimensional XY systems. The nonanalytic behavior of the first derivative of quantum correlation is observed at the critical point as the size of the model increases. Furthermore, we discuss the quantum correlation distribution in this system based on the square of concurrence（SC） and square of quantum discord（SQD）. The monogamous properties of SC and SQD are obtained. Particularly, we prove that the quantum critical point can also be achieved by monogamy score.

Multiscale structures and phase transitions in metallic glasses：A scattering perspective

Amorphous materials are ubiquitous and widely used in human society, yet their structures are far from being fully understood. Metallic glasses, a new class of amorphous materials, have attracted a great deal of interests due to their exceptional properties. In recent years, our understanding of metallic glasses increases dramatically, thanks to the development of advanced instrumentation, such as in situ x-ray and neutron scattering. In this article, we provide a brief review of recent progress in study of the structure of metallic glasses. In particular, we will emphasize, from the scattering perspective, the multiscale structures of metallic glasses, i.e., short-to-medium range atomic packing, and phase transitions in the supercooled liquid region, e.g., crystallization and liquid-to-liquid phase transition. We will also discuss, based on the understanding of their structures and phase stability, the mechanical and magnetic properties of metallic glasses.

Phase Transitions Governed by the Fifth Power of the Golden Mean and Beyond

In this contribution results from different disciplines of science were compared to show their intimate interweaving with each other having in common the golden ratio φ respectively its fifth power φ5. The research fields cover model calculations of statistical physics associated with phase transitions, the quantum probability of two particles, new physics of everything suggested by the information relativity theory (IRT) including explanations of cosmological relevance, the ε-infinity theory, superconductivity, and the Tammes problem of the largest diameter of N non-overlapping circles on the surface of a sphere with its connection to viral morphology and crystallography. Finally, Fibonacci anyons proposed for topological quantum computation (TQC) were briefly described in comparison to the recently formulated reverse Fibonacci approach using the Janičko number sequence. An architecture applicable for a quantum computer is proposed consisting of 13-step twisted microtubules similar to tubulin microtubules of living matter. Most topics point to the omnipresence of the golden mean as the numerical dominator of our world.

Phase transitions in cellular automata models of spatial susceptible-infected-resistant-susceptible epidemics

Spatially explicit models have become widely used in today＇s mathematical ecology and epidemiology to study the persistence of populations. For simplicity, population dynamics is often analysed by using ordinary differential equations （ODEs） or partial differential equations （PDEs） in the one-dimensional （1D） space. An important question is to predict species extinction or persistence rate by mean of computer simulation based on the spatial model. Recently, it has been reported that stable turbulent and regular waves are persistent based on the spatial susceptible-infected-resistant-susceptible （SIRS） model by using the cellular automata （CA） method in the two-dimensional （2D） space [Proc. Natl. Acad. Sci. USA 101, 18246 （2004）]. In this paper, we address other important issues relevant to phase transitions of epidemic persistence. We are interested in assessing the significance of the risk of extinction in 1D space. Our results show that the 2D space can considerably increase the possibility of persistence of spread of epidemics when the degree distribution of the individuals is uniform, i.e. the pattern of 2D spatial persistence corresponding to extinction in a 1D system with the same parameters. The trade-offs of extinction and persistence between the infection period and infection rate are observed in the 1D case. Moreover, near the trade-off （phase transition） line, an independent estimation of the dynamic exponent can be performed, and it is in excellent agreement with the result obtained by using the conjectured relationship of directed percolation. We find that the introduction of a short-range diffusion and a long-range diffusion among the neighbourhoods can enhance the persistence and global disease spread in the space.

Detailed Analysis of Quantum Phase Transitions Within the u(2) Algebra

We analyze in detail the quantum phase transitions that arise in models based on the u（2） algebraic description for bosonic systems with two types of scalar bosons. First we discuss the quantum phase transition that occurs in hamiltonians that admix the two dynamical symmetry chains u（2） u（1） and u（2） so（2） by diagonalizing the problem exactly in the u（1） basis. Then we apply the coherent state formalism to determine the energy functioned. Finally we show that a quantum phase transition of a different nature, but displaying similar characteristics, may arise also within a single chain just by including higher order terms in the hamiltonian.

Structural Phase Transitions of ZnTe under High Pressure Using Experiments and Calculations

The pressure-induced structural transitions of ZnTe are investigated at pressures up to 59.2 GPa in a diamond anvil cell by using synchrotron powder x-ray diffraction method. A phase transition from the initial zinc blende （ZB, ZnTe-Ⅰ） structure to a cinnabar phase （ZnTe-Ⅱ） is observed at 9.6 GPa, followed by a high pressure orthorhombic phase （ZnTe-Ⅲ） with Cmcm symmetry at 12.1 GPa. The ZB, cinnabar （space group P3121）, Cmcm, P31 and rock salt structures of ZnTe are investigated by using density functional theory calculations. Based on the experiments and calculations, the ZnTe-Ⅱ phase is determined to have a cinnabar structure rather than a P3 1 symmetry.

Electrical Neutrality and Symmetry Restoring Phase Transitions at High Density in a Two-Flavor Nambu-Jona-Lasinio Model

A general research on chiral symmetry restoring phase transitions at zero temperature and finite chemical potentials under electrical neutrality condition has been conducted in a Nambu-Jona-Lasinio model to describe twoflavor normal quark matter. Depending on whether mo/A, the ratio of dynamical quark mass in vacuum and the 3D momentum cutoff in the loop integrals, is less or greater than 0.413, the phase transition will be of the second or first order. A complete phase diagram of u quark chemical potential versus mo is given. With the electrical neutrality constraint, the region where the second order phase transition happens will be wider than the one without electrical neutrality limitation. The results also show that, for the value ofmo/A from QCD phenomenology, the phase transition must be of the first order.

Characteristics of phase transitions via intervention in random networks

We present a percolation process in which the classical Erdts-Rtnyi （ER） random evolutionary network is intervened by the product rule （PR） from some moment to. The parameter to is continuously tunable over the real interval [0, 1]. This model becomes the random network under the Achlioptas process at to = 0 and the ER network at to = 1. For the percolation process at to≤1, we introduce a relatively slow-growing point, after which the largest cluster begins growing faster than that in the ER model. A weakly discontinuous transition is generated in the percolation process at to ≤ 0.5. We take the relatively slow-growing point as the lower pseudotransition point and the maximum gap point of the order parameter as the upper pseudotransition point. The critical point can be approximately predicted by each fitting function of the two points about to. This contributes to understanding the rapid mergence of the large clusters at the critical point. The numerical simulations indicate that the lower pseudotransition point and the upper pseudotransition point are equal in the thermodynamic limit. When to 〉 0.5, the percolation processes generate a continuous transition. The scaling analyses of several quantities are presented, including the relatively slow-growing point, the duration of the relatively slow-growing process, as well as the relatively maximum strength between the percolation percolation at to 〈 1 and the ER network about different to. The presented mechanism can be viewed as a two-stage percolation process that has many potential applications in the growth processes of real networks.

Influence of Quantal and Statistical Fluctuations on Phase Transitions in Finite Nuclei

Investigations on thermal evolution of pairing-phase transition and shape-phase transition in light nuclei are made as a function of pair gap, deformation, temperature and angular momentum using a finite temperature statistical approach with main emphasis to fluctuations. The occurrence of a peak structure in the specific heat predicted as signals of the pairing-phase and shape-phase transitions are reviewed and it is found that they are not actually true phase transitions and it is only an artifact of the mean field models. Since quantal number and spin fluctuations and statistical fluctuations in pair gap, deformation degrees of freedom and energy when incorporated, it wash out the pairing-phase transition and smooth out the shape-phase transition. Phase transitions due to collapse of pair gap and deformation is discussed and a clear picture of pairing-phase transition in light nuclei is presented in which pairing transition is reconciled.

Structures and phase transitions of ScH_3 under high pressure

The structures and the phase transitions of ScH3 under high pressure are investigated using first-principles calcula- tions. The calculated structural parameters at zero pressure agree well with the available experimental data. With increasing pressure, the transition sequence hcp （GdHa-type）→ C2/m →fcc→4hcp （YH3-type）→Cmcm of ScH3 is predicted first; the corresponding transition pressures at 0 K are 23 GPa, 25 GPa, 348 GPa, and 477 GPa, respectively. The C2/m symmetry structure is a possible candidate but not a good one as the intermediate state from hexagonal to cubic in ScH3. On the other hand, via the analysis of the structures of hexagonal SCH2.9, cubic ScH3, and cubic ScH2, we find that the repulsive interactions of H-H atoms must play an important role in the transition from hexagonal to cubic.