Interfacial free energy anisotropy driven faceting of precipitates

Abstract

During solid–solid precipitation, interface free energy anisotropy is known to drive faceting of precipitates. In this paper, using a recently developed phase field formulation based on higher order tensor terms, we develop and implement a family of phase field models and indicate the parameter choices which lead to faceted precipitate morphologies. We also indicate how to choose the parameters given either the known precipitate morphology or the interfacial free energy anisotropy. Specifically, we study the faceting of precipitates in systems with cubic and hexagonal anisotropies; in 2 and 3D implementation of our phase field model, the precipitates do show facets in accordance with the Wulff plot – including cases where the Wulff plot predicts facets made up of more than one family of planes. We also indicate the possible extensions of our model to study other problems of interest.     

Determination of the in-plane anisotropy field in hexagonal systems via rotational magnetization: Theoretical model and Monte Carlo simulations

The magnetic anisotropy field in thin films with in-plane uniaxial anisotropy can be deduced from the VSM magnetization curves measured in magnetic fields of constant magnitudes. This offers a new possibility of applying rotational magnetization curves to determine the first- and second-order anisotropy constant in these films. In this paper we report a theoretical derivation of rotational magnetization curve in hexagonal crystal system with easy-plane anisotropy based on the principle of the minimum total energy. This model is applied to calculate and analyze the rotational magnetization process for magnetic spherical particles with hexagonal easy-plane anisotropy when rotating the external magnetic field in the basal plane. The theoretical calculations are consistent with Monte Carlo simulation results. It is found that to well reproduce experimental curves, the effect of coercive force on the magnetization reversal process should be fully considered when the intensity of the external field is much weaker than that of the anisotropy field. Our research proves that the rotational magnetization curve from VSM measurement provides an effective access to analyze the in-plane anisotropy constant K ₃ in hexagonal compounds, and the suitable experimental condition to measure K ₃ is met when the ratio of the magnitude of the external field to that of the anisotropy field is around 0.2. Supported by the National Natural Science Foundation of China (Grant Nos. 90505007 and 10774061) Recommended by LI FaShen     

Influence of the mode of deformation on recrystallisation kinetics in Nickel through experiments,theory and phase field model

Abstract

In this paper, we report the influence of the mode of deformation on recrystallisation kinetics through experiments, theory and a phase field model. Ni samples of 99.6% purity are subjected to torsion and rolling at two equivalent plastic strains and the recrystallisation kinetics and microstructure are compared experimentally. Due to significant differences in the distributions of the nuclei and stored energy for the same equivalent strain, large differences are observed in the recrystallisation kinetics of rolled and torsion-tested samples. Next, a multi-phase field model is developed in order to understand and predict the kinetics and microstructural evolution. The coarse-grained free energy parameters of the phase field model are taken to be a function of the stored energy. In order to account for the observed differences in recrystallisation kinetics, the phase field mobility parameter is a required constitutive input. The mobility is calculated by developing a mean field model of the recrystallisation process assuming that the strain free nuclei grow in a uniform stored energy field. The activation energy calculated from the mobilities obtained from the mean field calculation compares very well with the activation energy obtained from the kinetics of recrystallisation. The recrystallisation kinetics and microstructure as characterised by grain size distribution obtained from the phase field simulations match the experimental results to good accord. The novel combination of experiments, phase field simulations and mean field model facilitates a quantitative prediction of the microstructural evolution and kinetics.     

Higher order terms in the inflaton potential and the lower bound on the tensor to scalar ratio r

The MCMC analysis of the CMB + LSS data in the context of the Ginsburg–Landau approach to inflation indicated that the fourth degree double-well inflaton potential in new inflation gives an excellent fit of the present CMB and LSS data. This provided a lower bound for the ratio r of the tensor to scalar fluctuations and as most probable value r ? 0.05, within reach of the forthcoming CMB observations. In this paper we systematically analyze the effects of arbitrarily higher order terms in the inflaton potential on the CMB observables: spectral index n_s and ratio r. Furthermore, we compute in close form the inflaton potential dynamically generated when the inflaton field is a fermion condensate in the inflationary universe. This inflaton potential turns out to belong to the Ginsburg–Landau class too. The theoretical values in the (n_s, r) plane for all double well inflaton potentials in the Ginsburg–Landau approach (including the potential generated by fermions) fall inside a universal banana-shaped region B. The upper border of the banana-shaped region B is given by the fourth order double-well potential and provides an upper bound for the ratio r. The lower border of B is defined by the quadratic plus an infinite barrier inflaton potential and provides a lower bound for the ratio r. For example, the current best value of the spectral index n_s = 0.964, implies r is in the interval: 0.021 < r < 0.053. Interestingly enough, this range is within reach of forthcoming CMB observations.     

Energy studies of precipitation sequence in Ni_(75)Al_(10)Cr_(15) alloy based on the phase field theory

Based on the phase field theory, the phase precipitation sequence of Ni75Al10Cr15 alloy and the free energy of each phase were studied. Moreover, the interatomic potentials of L10 phase, L12 phase and DO22 phase changing with temperature and concentrations were computed through utilizing the interatomic potentials equations induced by Khachaturyan’s relational equations between the interatomic potentials and the long-range order (LRO) parameters. Results match preceding work and demonstrate that the phase p...     

Quantum field theory in curved spacetime,the operator product expansion,and dark energy

To make sense of quantum field theory in an arbitrary (globally hyperbolic) curved spacetime, the theory must be formulated in a local and covariant manner in terms of locally measurable field observables. Since a generic curved spacetime does not possess symmetries or a unique notion of a vacuum state, the theory also must be formulated in a manner that does not require symmetries or a preferred notion of a “vacuum state” and “particles”. We propose such a formulation of quantum field theory, wherein the operator product expansion (OPE) of the quantum fields is elevated to a fundamental status, and the quantum field theory is viewed as being defined by its OPE. Since the OPE coefficients may be better behaved than any quantities having to do with states, we suggest that it may be possible to perturbatively construct the OPE coefficients—and, thus, the quantum field theory. By contrast, ground/vacuum states—in spacetimes, such as Minkowski spacetime, where they may be defined—cannot vary analytically with the parameters of the theory. We argue that this implies that composite fields may acquire nonvanishing vacuum state expectation values due to nonperturbative effects. We speculate that this could account for the existence of a nonvanishing vacuum expectation value of the stress-energy tensor of a quantum field occurring at a scale much smaller than the natural scales of the theory. Fourth Award in the 2008 Essay Competition of the Gravity Research Foundation.     

Dynamic phase transitions and dynamic phase diagrams in the kinetic spin-5/2 Blume-Capel model in an oscillating external magnetic field: Effective-field theory and the Glauber-type stochastic dynamics approach

Using an effective field theory with correlations, we study a kinetic spin-5/2 Blume-Capel model with bilinear exchange interaction and single-ion crystal field on a square lattice. The effective-field dynamic equation is derived by employing the Glauber transition rates. First, the phases in the kinetic system are obtained by solving this dynamic equation. Then, the thermal behavior of the dynamic magnetization, the hysteresis loop area and correlation are investigated in order to characterize the nature of the dynamic transitions and to obtain dynamic phase transition temperatures. Finally, we present the phase diagrams in two planes, namely (T/zJ, h₀/zJ) and (T/zJ, D/zJ), where T absolute temperature, h₀, the amplitude of the oscillating field, D, crystal field interaction or single-ion anisotropy constant and z denotes the nearest-neighbor sites of the central site. The phase diagrams exhibit four fundamental phases and ten mixed phases which are composed of binary, ternary and tetrad combination of fundamental phases, depending on the crystal field interaction parameter. Moreover, the phase diagrams contain a dynamic tricritical point (T), a double critical end point (B), a multicritical point (A) and zero-temperature critical point (Z).     

Critical behaviours and magnetic properties of three-dimensional bond and anisotropy dilution Blume——Capel model in the presence of an applied field

This paper studies the critical behaviours and magnetic properties of three-dimensional bond and anisotropy dilution Blume--Capel model (BCM) in the presence of an applied field within the effective field theory. The trajectory of tricritical point, reentrant transitions and degenerate patterns of anisotropy are obtained both for the bond and the anisotropy dilutions. The global phase diagrams demonstrate unusually reentrant phenomena. The temperature dependences of magnetization curves undergo remarkable spin glass behaviour at low temperatures, and transform from ferromagnetism to paramagnetism at high temperature in applied fields. Temperature dependence of magnetic susceptibility curve is in qualitative agreement with experimental result.     

Dynamic phase transitions and dynamic phase diagrams of the spin-2 Blume-Capel model under an oscillating magnetic field within the effective-field theory

The dynamic phase transitions are studied in the kinetic spin-2 Blume-Capel model under a time-dependent oscillating magnetic field using the effective-field theory with correlations. The effective-field dynamic equation for the average magnetization is derived by employing the Glauber transition rates and the phases in the system are obtained by solving this dynamic equation. The nature (first- or second-order) of the dynamic phase transition is characterized by investigating the thermal behavior of the dynamic magnetization and the dynamic phase transition temperatures are obtained. The dynamic phase diagrams are constructed in the reduced temperature and magnetic field amplitude plane and are of seven fundamental types. Phase diagrams contain the paramagnetic (P), ferromagnetic-2 (F₂) and three coexistence or mixed phase regions, namely the F₂+P, F₁+P and F₂+F₁+P, which strongly depend on the crystal-field interaction (D) parameter. The system also exhibits the dynamic tricritical behavior.     

Expanding the thermodynamical potential and analysis of the possible phase diagram of deconfinement in the FL model

Deconfinement phase transition is studied in the FL model at finite temperature and chemical potential. At MFT approximation, phase transition can only be first order in the whole μ-T phase plane. Using a Landau expansion, we further study the phase transition order and the possible phase diagram of deconfinement. We discuss the possibilities of second order phase transitions in the FL model. From our analysis, if the cubic term in the Landau expansion could be cancelled by the higher order fluctuations, second order phase transition may occur. By an ansatz of the Landau parameters, we obtain a possible phase diagram with both the first and second order phase transitions, including the tri-critical point which is similar to that of the chiral phase transition.     

Atomic coherent trapping and phase property of the field in the system of two-level atoms interacting with a single-mode field

In this paper,the condition of the atomic coherent trapping in the system of twotwo-level atoms interacting with a single-mode coherent field has been obtained.And proper-ties of the light field in this case has also been analysed by means of the phase theory intro-duced by Barnett and Pegg,     

Effects of an intense, high-frequency laser field on the intersubband transitions and impurity binding energy in semiconductor quantum wells

Within the framework of effective-mass approximation, using a variational method, the effect of high-frequency laser field on intersubband transitions and the binding energy of shallow-donor impurities in a semiconductor quantum well are investigated. We have found that the increase of the laser-dressing parameter leads to important effects on the electronic and optical properties of a quantum well. This gives a new degree of freedom in various device applications based on the intersubband transition of electrons.     

Dynamic compensation temperature in the mixed spin-1 and spin-2 Ising model in an oscillating field on alternate layers of a hexagonal lattice

The dynamic behavior of a mixed spin-1 and spin-2 Ising system with a crystal-field interaction in the presence of a time-dependent oscillating external magnetic field on a hexagonal lattice is studied by using the Glauber-type stochastic dynamics. The lattice is formed by alternate layers of spins σ=1$\sigma =1$ and S=2. The Hamiltonian model includes intersublattice, intrasublattice and crystal-field interactions. The set of mean-field dynamic equations is obtained by employing the Glauber transition rates. Firstly, we study time variations of the average sublattice magnetizations in order to find the phases in the system, and the thermal behavior of the average sublattice magnetizations in a period or the dynamic sublattice magnetizations to obtain the dynamic phase transition points as well as to characterize the nature (continuous and discontinuous) of transitions. Then, the behavior of the dynamic total magnetization as a function of the temperature is investigated to find the dynamic compensation points as well as determine the type of behavior. We also present the dynamic phase diagrams for both presence and absence of the dynamic compensation temperatures in the nine different planes. According to the values of Hamiltonian parameters, besides the paramagnetic (p), antiferromagnetic (af), ferrimagnetic (i) and non-magnetic (nm) fundamental phases, eight different mixed phases and the compensation temperature or L- and N-types behavior in the Néel classification nomenclature exist in the system.     

Spin-Hamiltonian parameters and local rotational order parameters for Gd ion in the tetragonal phase of SrTiO3 crystal

Using a diagonalization method, the spin-Hamiltonian parameters (g factors g_||, g_⊥ and zero-field splittings b₂⁰, b₄⁰, b₂⁴, b₆⁰, b₆⁴) for Gd³⁺ ion at the 12-fold coordinated Sr²⁺ site in the tetragonal phase of SrTiO₃ at T≈4.2 and 77 K are calculated in a unified way. The calculated results are in reasonable agreement with the experimental values. The local rotational order parameters ?_l of Gd³⁺ center at the two temperatures are also obtained from the calculations. It is found that the local rotational order parameters ?_l of Gd³⁺ impurity center at both temperatures are different from the corresponding parameters ?_h in the host SrTiO₃ crystal and the changes of spin-Hamiltonian parameters with temperature are caused by the change of local rotational order parameter?_l with temperature. The results are discussed.     

Ni75Cr25-xAlx合金中L12相和D022相形核孕育期的微观相场模拟

基于微观相场动力学模型,运用原子图像、平均长程序参数和平均成分偏离序参数,研究了Al浓度对Ni75Cr25-xAlx合金中L12相和D022相形核孕育期的影响以及孕育期与沉淀相析出顺序之间的关系.结果表明,L12相和D022相的形核孕育期不仅与Al浓度有关,而且与两相析出的先后顺序密切相关.当Al浓度小于7.5%时,先析出相为D022相,随着Al浓度的增大,D022相形核孕育期延长,后析出的L12相的形核孕育期也延长,L12相的原子簇聚速度加快;当Al浓度大于7.5%时,先析出相为L12相,随着Al浓度的增大,L12相的形核孕育期缩短,后析出的D022相形核孕育期也缩短.当Al浓度为7.5%时,L12相和D022相几乎同时析出,两者的孕育期没有明显的差别.     

有振幅调制和相位畸变光束的远场光谱移动与光谱开关

基于瑞利衍射公式,研究了被光阑衍射的具有振幅调制和相位畸变光束的远场光谱变化规律。结果表明,有振幅调制和相位畸变光束在远场也会出现光谱异变现象和光谱开关效应,光阑截断参数、光束的相位畸变参数、振幅调制参数、光强调制参数对远场光谱的跃迁量和光谱开关产生影响。通过数值计算结果分析讨论了光阑截断参数及光束各参数影响远场光谱的规律。     

Control of the binding energy by tuning the single dopant position,magnetic field strength and shell thickness in ZnS/CdSe core/shell quantum dot

Recently, the new tunable optoelectronic devices associated to the inclusion of the single dopant are in continuous emergence. Combined to other effects such as magnetic field, geometrical confinement and dielectric discontinuity, it can constitute an approach to adjusting new transitions. In this paper, we present a theoretical investigation of magnetic field, donor position and quantum confinement effects on the ground state binding energy of single dopant confined in ZnS/CdSe core/shell quantum dot. Within the framework of the effective mass approximation, the Schrödinger equation was numerically been solved by using the Ritz variational method under the finite potential barrier. The results show that the binding energy is very affected by the core/shell sizes and by the external magnetic field. It has been shown that the single dopant energy transitions can be controlled by tuning the dopant position and/or the field strength.     

Studies of the crystal field energy levels and g factors for Ce in LiYF4 crystal

The five observed crystal field energy levels and EPR g factors g_//and g_⊥ for Ce³⁺-doped LiYF₄ crystal are calculated together from a complete diagonalization (of energy matrix) method. In the method, the contributions to g factors of ground Kramers doublet from all the rest doublets within the ground and excited manifolds ²F_5/2 and ²F_7/2 are included. The calculated results show reasonable agreement with the experimental values. The calculations suggest that the crystal field parameter B₂₀ > 0 in LiYF₄: Ce³⁺ crystal. The opinion of the parameter B₂₀ < 0 in the previous paper is not correct. Since this opinion is based on the calculation of g factors using a very simple method where only the contributions to g factors from the doublets within the ground manifold ²F_5/2 are considered, it is suggested that this simple method is not effective in the calculation of g factors for 4f¹ ions in crystals.