Phase diagram and quench dynamics of a periodically drivenHaldane model

We investigate a periodically driven Haldane model subjected to a two-stage driving scheme in the form of a step function.By using the Floquet theory,we obtain the topological phase diagram of the system.We also find that anomalous Floquet topological phases exist in the system.Focusing on examining the quench dynamics among topological phases,we analyze the site distribution of the 0-mode and p-mode edge states in long-period evolution after a quench.The results demonstrate that,under certain conditions,the site distribution of the 0-mode can be confined at the edge even in long-period evolution.Additionally,both the 0-mode and p-mode can recover and become confined at the edge in long-period evolution when the post-quench parameters(T,M_(2) /M_(1))in the phase diagram cross away from the phase boundary (M_(2)/ M_(1))=(6√3t2)/ M_(1)−1.Furthermore,we conclude that whether the edge state is confined at the edge in the long-period evolution after a quench depends on the similarity of the edge states before and after the quench.Our findings reveal some new characteristics of quench dynamics in a periodically driven system.

Effect of distribution shape on the melting transition, local ordering,and dynamics in a model size-polydisperse two-dimensional fluid

We study the effect of particle size polydispersity(δ) on the melting transition(T*), local ordering, solid–liquid coexistence phase and dynamics of two-dimensional Lennard–Jones fluids up to moderate polydispersity by means of computer simulations. The particle sizes are drawn at random from the Gaussian(G) and uniform(U) distribution functions.For these systems, we further consider two different kinds of particles, viz., particles having the same mass irrespective of size, and in the other case the mass of the particle scales with its size. It is observed that with increasing polydispersity,the value of T*initially increases due to improved packing efficiency(φ) followed by a decrease and terminates at δ ≈8%(U-system) and 14%(G-system) with no significant difference for both mass types. The interesting observation is that the particular value at which φ drops suddenly coincides with the peak of the heat capacity(CP) curve, indicating a transition. The quantification of local particle ordering through the hexatic order parameter(Q_6), Voronoi construction and pair correlation function reveals that the ordering decreases with increasing δ and T. Furthermore, the solid–liquid coexistence region for the G-system is shown to be comparatively wider in the T –δ plane phase diagram than that for the U system. Finally, the study of dynamics reveals that polydisperse systems relax faster compared to monodisperse systems;however, no significant qualitative differences, depending on the distribution type and mass polydispersity, are observed.

Ultrafast dynamics in photo-excited Mott insulator Sr_(3)Ir_(2)O_7 at high pressure

High-pressure ultrafast dynamics,as a new crossed research direction,are sensitive to subtle non-equilibrium state changes that might be unresolved by equilibrium states measurements,providing crucial information for studying delicate phase transitions caused by complex interactions in Mott insulators.With time-resolved transient reflectivity measurements,we identified the new phases in the spin–orbit Mott insulator Sr_(3)Ir_(2)O_7 at 300 K that was previously unidentified using conventional approaches such as x-ray diffraction.Significant pressure-dependent variation of the amplitude and lifetime obtained by fitting the reflectivity?R/R reveal the changes of electronic structure caused by lattice distortions,and reflect the critical phenomena of phase transitions.Our findings demonstrate the importance of ultrafast nonequilibrium dynamics under extreme conditions for understanding the phase transition of Mott insulators.

Dynamic Phase Field Description on Ductile Fracture Process

In comparison to discrete descriptions of fracture process,the recently proposed phase field methodology averts the numerical tracking strategy of discontinuities in solids,which enables the numerical implement simplification.An implicit finite element formulation based on the diffuse phase field is extended for stable and efficient analysis of complex dynamic fracture process in ductile solids.This exhibited formulation is shown to capture entire range of the characteristics of ductile material presenting J2-plasticity,embracing plasticization,cracks initiation,propagation,branching and merging while fulfilling the basic principle of thermodynamics.Herein,we implement a staggered time integration scheme of the dynamic elasto-plastic phase field method into the commercial finite element code.The numerical performance of the present advanced phase field model has been examined through several classic dynamic fracture benchmarks,and in all cases simulation results are in good agreement with the associated experimental data and other numerical results in previous literature.

Comprehensive study of the ultrafast photoexcited carrier dynamics in Sb_(2)Te_(3)–GeTe superlattices

Chalcogenide superlattices Sb_(2)Te_(3)-GeTe is a candidate for interfacial phase-change memory(iPCM) data storage devices.By employing terahertz emission spectroscopy and the transient reflectance spectroscopy together,we investigate the ultrafast photoexcited carrier dynamics and current transients in Sb_(2)Te_(3)-GeTe superlattices.Sample orientation and excitation polarization dependences of the THz emission confirm that ultrafast thermo-electric,shift and injection currents contribute to the THz generation in Sb_(2)Te_(3)-GeTe superlattices.By decreasing the thickness and increasing the number of GeTe and Sb_(2)Te_(3) layer,the interlayer coupling can be enhanced,which significantly reduces the contribution from circular photo-galvanic effect(CPGE).A photo-induced bleaching in the transient reflectance spectroscopy probed in the range of~1100 nm to~1400 nm further demonstrates a gapped state resulting from the interlayer coupling.These demonstrates play an important role in the development of iPCM-based high-speed optoelectronic devices.

Molecular Dynamics Studies of Solid-Liquid Phase Transitions Ⅱ——Homogeneous Nucleation of (KI)_(108) Clusters

在一系列分子动力学计算中，（ＫＩ）１０８离子簇冷却时自发地由液相变为立方面心相．在３５０Ｋ和４００Ｋ的成核速率大于１０３６核／ｍ３·ｓ．由成核速率得到的固－液界面自由能约为５０ｍＪ／ｍ２．

Controlling dynamic recrystallization via modified LPSO phase morphology and distribution in Mg-Gd-Y-Zn-Zr alloy

Featured initial microstructures of Mg-11Gd-4Y-2Zn-0.5Zr alloy(wt%) were obtained by adjusting temperatures of solid solution and cooling methods, including island intergranular 18R and 14H LPSO phases with low-density stacking faults, differentially spaced lamellar intragranular 14H-LPSO phases, and network intergranular 18R-LPSO phases with high-density intragranular stacking faults. Effects of these featured LPSO phases and stacking faults on dynamic recrystallization(DRX) behavior were investigated via hot compression. Promoted DRX behavior via particle stimulated nucleation(PSN) is introduced by coexisting intergranular island 18R and 14H LPSO phases and intragranular wide spacing lamellar 14H-LPSO phases, contributing the highest DRX fraction of 42.6%. Conversely, it is found that DRX behavior with network intergranular 18R-LPSO phases and dense intragranular stacking fault is considerably inhibited with the lowest fraction of 22.8%. That is, the restricted DRX due to dislocations pinning by stacking faults overwhelms the enhanced DRX behavior via PSN of island intergranular 18R and 14H LPSO phases. Specially, compared with dense intragranular lamellar 14H-LPSO phases, high-density stacking faults exert a larger inhibition effect on DRX behavior.

Dynamics of phase transformation of Cu-Ni-Si alloy with super-high strength and high conductivity during aging

The precipitation behaviors of the Cu-Ni-Si alloys during aging were studied by analyzing the variations of electric conductivity.The Avrami-equation of phase transformation kinetics and the Avrami-equation of electric conductivity during aging were established for Cu-Ni-Si alloys,on the basis of linear relationship between the electric conductivity and the volume fraction of precipitates,and the calculation results coincide well with the experiment ones.The transformation kinetics curves were established to characterize the aging process.The characteristics of precipitates in the supersaturated solid solution alloy aged at 723 K were established,and the results show that the precipitates areβ-Ni3Si andδ-Ni2Si phases.

Selective triggering of phase change in dielectrics by femtosecond pulse trains based on electron dynamics control

In this study we experimentally reveal that the phase change mechanism can be selectively triggered by shaping femtosecond pulse trains based on electron dynamics control （EDC）, including manipulation of excitations, ionizations, densities, and temperatures of electrons. By designing the pulse energy distribution to adjust the absorptions, excitations, ionizations, and recombinations of electrons, the dominant phase change mechanism experiences transition from nonthermal to thermal process. This phenomenon is observed in quadruple, triple, and double pulses per train ablation of fused silica separately. This opens up possibilities for controlling phase change mechanisms by EDC, which is of great significance in laser processing of dielectrics and fabrication of integrated nano- and micro-optical devices.

Paraelectric-ferroelectric interface dynamics induced by latent heat transfer and irreversibility of ferroelectric phase transitions

The temperature gradients that arise in the paraelectric-ferroelectric interface dynamics induced by the latent heat transfer are studied from the point of view that a ferroelectric phase transition is a stationary, thermal-electric coupled transport process. The local entropy production is derived for a ferroelectric phase transition system from the Gibbs equation. Three types of regions in the system are described well by using the Onsager relations and the principle of minimum entropy production. The theoretical results coincides with the experimental ones.

Crystalline Phase and Decomposition Dynamics of Aluminum Titanate at Different Temperature

The crystalline phase formed during aluminum titanate at 750-1300 ℃ as well as the relationship between its content change and decomposition dynamics was mainly discussed in this paper.Dynamical equation was established for calculating the reaction activation energy.It aimed at providing dynamics basic data for taking up necessary measures to inhibit the decomposition of aluminum titanate.Experimental results showed that aluminum titanate would decompose into TiO2 and corundum at 750-1300 ℃.Content of aluminum titanate would reduce with the increase of decomposition time,and the order of decomposition rates at different temperature was 1100 1200 1000 900 ℃.The decomposition was a chemical reaction with control steps,and could meet the first order reaction dynamic equation-F（G） = [（1-G）-2/3-1] = Kt.According to the calculation,rate constants of different decomposition reaction dynamic equations were K900 = 2.2×10-3,K1000 = 1.2×10-2,K1100 = 4×10-1 and K1200 = 1.5×10-1,and the reaction activation energy ΔGave = 203.21 KJ/mol.

Prediction of flexoelectricity in BaTiO_(3) using molecular dynamics simulations

Flexoelectric effect, referring to the strain gradient induced polarization, widely exists in dielectric materials, but its molecular dynamics has not been studied so much so far. In this work, the radial distribution function of BaTiO_(3) and the phase transition temperatures have been investigated, and the results show that the core-shell potential model is effective and the structure of BaTiO_(3) is stable in a temperature range of 10 K–150 K. Molecular dynamics simulated hysteresis loops of BaTiO_(3) show that anisotropy can play an important role in the coercive field. Based on the rational simulation process,the effects of cantilever beam bent angle and fixed length on the polarization are analyzed. It is found that the small bent angle of the curved cantilever beam can give a proportional relationship with a fixed end length and a non-linear relationship is presented when the bent angle is much larger. The prediction of flexoelectric coefficient in BaTiO_(3) is 18.5 nC/m. This work provides a computational framework for the study of flexoelectric effect by using molecular dynamics.

Entanglement Dynamics and Bell Violations of Two Atoms in Tavis-Cummings Model with Phase Decoherence

Considering the dipole-dipole coupling intensity between two atoms and the field in the Fock state, the entanglement dynamics between two atoms that are initially entangled in the system of two two-level atoms coupled to a single mode cavity in the presence of phase decoherence has been investigated. The two-atom entanglement appears with periodicity without considering phase decoherence, however, the phase decoherence causes the decay of entanglement between two atoms, with the increasing of the phase decoherence coefficient, the entanglement will quickly become a constant value, which is affected by the two-atom initial state. Meanwhile the two-atom quantum state will forever stay in the maximal entangled state when the initial state is proper even in the presence of phase decoherence. On the other hand, the Bell violation and the entanglement do not satisfy the monotonous relation, a large Bell violation implies the presence of a large amount of entanglement under certain conditions, while a large Bell violation corresponds to a little amount of entanglement in certain situations. However, the violation of Bell-CHSH inequality can reach the maximal value if two atoms are in the maximal entangled state, or vice versa.

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.

Solid−solid phase transition of tungsten induced by high pressure:A molecular dynamics simulation

The phase transition of tungsten(W)under high pressures was investigated with molecular dynamics simulation.The structure was characterized in terms of the pair distribution function and the largest standard cluster analysis(LSCA).It is found that under 40−100 GPa at a cooling rate of 0.1 K/ps a pure W melt first crystallizes into the body-centred cubic(BCC)crystal,and then transfers into the hexagonal close-packed(HCP)crystal through a series of BCC−HCP coexisting states.The dynamic factors may induce intermediate stages during the liquid−solid transition and the criss-cross grain boundaries cause lots of indistinguishable intermediate states,making the first-order BCC−HCP transition appear to be continuous.Furthermore,LSCA is shown to be a parameter-free method that can effectively analyze both ordered and disordered structures.Therefore,LSCA can detect more details about the evolution of the structure in such structure transition processes with rich intermediate structures.

The Analysis of Thermal-Induced Phase Transformation and Microstructural Evolution in Ni-Ti Based Shape Memory Alloys By Molecular Dynamics

Shape memory alloys has been widely applied on actuators and medical devices.The transformation temperature and microstructural evolution play two crucial factors and dominate the behavior of shape memory alloys.In order to understand the influence of the composition of the Ni-Ti alloys on the two factors,molecular dynamics was adopted to simulate the temperature-induced phase transformation.The results were post-processed by the martensite variant identification method.The method allows to reveal the detailed microstructural evolution of variants/phases in each case of the composition of Ni-Ti.Many features were found and having good agreement with those reported in the literature,such as the well-known Rank-2 herringbone structures;the X-interface;Ni-rich alloys have lower transformation temperature than Ti-rich alloys.In addition,some new features were also discovered.For example,the Ti-rich alloys enabled an easier martensitic transformation;the nucleated martensite pattern determined the microstructural evolution path,which also changed the atomic volume and temperature curves.The results generated in the current study are expected to provide the design guidelines for the applications of shape memory alloys.

Quantum Mechanics: Harmonic Wave-Packets, Localized by Resonant Response in Dispersion Dynamics

From a combination of Maxwell’s electromagnetism with Planck’s law and the de Broglie hypothesis, we arrive at quantized photonic wave groups whose constant phase velocity is equal to the speed of light c = ω/k and to their group velocity dω/dk. When we include special relativity expressed in simplest units, we find that, for particulate matter, the square of rest mass , i.e., angular frequency squared minus wave vector squared. This equation separates into a conservative part and a uniform responsive part. A wave function is derived in manifold rank 4, and from it are derived uncertainties and internal motion. The function solves four anomalies in quantum physics: the point particle with prescribed uncertainties;spooky action at a distance;time dependence that is consistent with the uncertainties;and resonant reduction of the wave packet by localization during measurement. A comparison between contradictory mathematical and physical theories leads to similar empirical conclusions because probability amplitudes express hidden variables. The comparison supplies orthodox postulates that are compared to physical principles that formalize the difference. The method is verified by dual harmonics found in quantized quasi-Bloch waves, where the quantum is physical;not axiomatic.

Effects of tensile temperatures on phase transformations in zirconium by molecular dynamics simulations

The effects of tensile temperatures ranging from 100 K to 900 K on the phase transition of hexagonal close-packed(HCP)zirconium were investigated by molecular dynamics simulations,which were combined with experimental observation under high resolution transmission electron microscopy.The results show that externally applied loading first induced the HCP to body-centered cubic(BCC)phase transition in the Pitsch-Schrader(PS)orientation relationship(OR).Then,the face-centered cubic(FCC)structure transformed from the BCC phase in the Bain path.However,the HCP-to-BCC transition was incomplete at 100 K and 300 K,resulting in a prismatic-type OR between the FCC and original HCP phase.Additionally,at the temperature ranging from 100 K to 600 K,the inverse BCC-to-HCP transition occurred locally following other variants of the PS OR,resulting in a basal-type relation between the newly generated HCP and FCC phases.A higher tensile temperature promoted the amount of FCC phase transforming into the BCC phase when the strain exceeded 45%.Besides,the crystal stretched at lower temperatures exhibits relatively higher strength but by the compromise of plasticity.This study reveals the deformation mechanisms in HCP-Zr at different temperatures,which may provide a better understanding of the deformation mechanism of zirconium alloys under different application environments.

Numerical method for simulating rarefaction shocks in the approximation of phase-flip hydrodynamics

A finite-difference algorithm is proposed for numerical modeling of hydrodynamic flows with rarefaction shocks, in which the fluid undergoes a jump-like liquid-gas phase transition. This new type of flow discontinuity, unexplored so far in computational fluid dynamics, arises in the approximation of phase-flip(PF) hydrodynamics, where a highly dynamic fluid is allowed to reach the innermost limit of metastability at the spinodal, upon which an instantaneous relaxation to the full phase equilibrium(EQ) is assumed. A new element in the proposed method is artificial kinetics of the phase transition, represented by an artificial relaxation term in the energy equation for a "hidden"component of the internal energy, temporarily withdrawn from the fluid at the moment of the PF transition. When combined with an appropriate variant of artificial viscosity in the Lagrangian framework, the latter ensures convergence to exact discontinuous solutions, which is demonstrated with several test cases.

Charge carrier dynamics in different crystal phases of CH_(3)NH_(3)PbI_(3)perovskite

Despite that organic-inorganic lead halide perovskites have attracted enormous scientific attention for energy conversion applications over the recent years,the influence of temperature and the type of the employed hole transport layer(HTL)on the charge carrier dynamics and recombination processes in perovskite photovoltaic devices is still largely unexplored.In particular,significant knowledge is missing on how these crucial parameters for radiative and non-radiative recombinations,as well as for efficient charge extraction vary among different perovskite crystalline phases that are induced by temperature variation.Herein,we perform micro photoluminescence(pPL)and ultrafast time resolved transient absorption spectroscopy(TAS)in Glass/Perovskite and two dierent Glass/ITO/HTL/Perovskite configurations at temperatures below room temperature,in order to probe the charge carrier dynamics of different perovskite crystalline phases,while considering also the effect of the employed HTL polymer.Namely,CH_(3)NH_(3)Pbb films were deposited on Glass,PEDOT:PSS and PTAA polymers,and the developed Glass/CH_(3)NH_(3)PbI_(3)and Glass/ITO/HTL/CH_(3)NH_(3)PbI_(3)architectures were studied from 85 K up to 215 K in order to explore the charge extraction dynamics of the CH_(3)NH_(3)PbI_(3)orthorhombic and tetragonal crystalline phases.It is observed an unusual blueshift of the bandgap with temperature and the dual emission at temperature below of 100 K and also,that the charge carrier dynamics,as expressed by hole injection times and free carrier recombination rates,are strongly depended on the actual pervoskite crystal phase,as well as,from the selected hole transport material.