VARIATIONAL CALCULATION OF THERMODYNAMIC PROPERTIES OF SUPERCOOLED LIQUID METALS

By means of Gibbs-Bogoliubov (GB) thermodynamic variational calculation,the thermodynamic properties of the supercooled liquid metals,such as the 3rd family elements Al,Ga and Tl and transition metal Ti were calculated using the hard-sphere (HS) system as reference.The values of mean atomic volume,Helmholtz free energy,internal energy and entropy as well as specific heat at constant volume,isothermal bulk modulus,thermal expan- sion coefficient and specfic heat under constant pressure were evaluated.The glass transition temperature,T_g,is easily obtained from the C_p-T plot.The glass forming ability for metal can be predicted from T_g/T_m,which is in agreement with the experimental results.

A note on localized transition in the spin-boson model by variational calculation

We present mathematical analyses of the evolution of solutions of the self-consistent equation derived from variational calculations based on the displaced-oscillator-state and the displaced-squeezed-state in spin-boson model at a zero temperature and a finite temperature. It is shown that, for a given spectral function defined as J（w） = π∑k Ck^2 = π/2αw^8w^1-s, there exists a universal sc for both kinds of variational schemes, the localized transition happens only for 2 s ≤ sc, moreover, the localized transition is discontinuous for s 〈 sc while a continuous transition always occurs when s = sc. At T = 0, we have sc = 1, while for T ≠ 0, sc = 2 which indicates that the localized transition in super-Ohmic case still exists, manifesting that the result is in discrepancy with the existing result.

Modified Atomic Orbital Calculations of Energy of the(2s^(2)^(1)S)Ground-State,the(2p^(2)^(1)D);(3d^(2)^(1)G)and(4f^(2)^(1)I)Doubly Excited States of Helium Isoelectronic Sequence from H-to Ca^(18+)

We report in this paper the ground-state energy 2s^(2)^(1)S and total energies of doubly excited states 2p^(2)^(1)D,3d^(2)^(1)D,4f^(2)^(1)I of the Helium isoelectronic sequence from H-to Ca^(18+).Calculations are performed using the Modified Atomic Orbital Theory(MAOT)in the framework of a variational procedure.The purpose of this study required a mathematical development of the Hamiltonian applied to Slater-type wave function[1]combining with Hylleraas-type wave function[2].The study leads to analytical expressions which are carried out under special MAXIMA computational program.This first proposed MAOT variational procedure,leads to accurate results in good agreement as well as with available other theoretical results than experimental data.In the present work,a new correlated wave function is presented to express analytically the total energies for the 2s21S ground state and each doubly 2p^(2)^(1)D,3d^(2)^(1)D,4f^(2)^(1)I excited states in the He-like systems.The present accurate data may be a useful guideline for future experimental and theoretical studies in the(nI^(2))systems.

Influence of pore water pressure on upper bound analysis of collapse shape for square tunnel in Hoek-Brown media

To investigate the effective shape of collapsing block in square tunnel subjected to pore water pressure,the analytical solution of detaching curve was derived using upper bound theorem of limit analysis with Hoek-Brown failure criterion. The work rate of pore water pressure,which was regarded as an external rate of work,was taken into account in the framework of limit analysis. Taking advantages of variational calculation,the objective function with respect to detaching curve was optimized to obtain the effective shape of collapsing block for square tunnel. According to the numerical results,it is found that the varying pore water pressure coefficient only affects the height and width of the collapsing block,whereas the shape of collapsing block remains unchanged.

ORDERED ANALYTIC REPRESENTATION OF PDES BY HAMILTONIAN CANONICAL SYSTEM

Based on the method of symplectic geometry and variational calculation,the method for some PDEs to be ordered and analytically represented by Hamiltonian canonical system is discussed.Meanwhile some related necessary and sufficient conditions are obtained

Excitonic transitions in Be-doped GaAs/AlAs multiple quantum well

A series of GaAs/A1As multiple-quantum wells doped with Be is grown by molecular beam epitaxy. The photolu- minescence spectra are measured at 4, 20, 40, 80, 120, and 200 K, respectively. The recombination transition emission of heavy-hole and light-hole free excitons is clearly observed and the transition energies are measured with different quantum well widths. In addition, a theoretical model of excitonic states in the quantum wells is used, in which the symmetry of the component of the exciton wave function representing the relative motion is allowed to vary between the two- and three- dimensional limits. Then, within the effective mass and envelope function approximation, the recombination transition energies of the heavy- and light-hole excitons in GaAs/A1As multiple-quantum wells are calculated each as a function of quantum well width by the shooting method and variational principle with two variational parameters. The results show that the excitons are neither 2D nor 3D like, but are in between in character and that the theoretical calculation is in good agreement with the experimental results.

Energy Positions of the ^1,3D^eRydberg Series of the He-Like Ions Up to the <i>N</i>= 9 Threshold

The doubly excited states of helium-like ions are investigated using a combination of the no-linear parameters of Hylleraas and the β-parameters of screening constant by unit nuclear charge. Calculations are performed for total energies of low-lying doubly excited states (N = 2 - 9) in He-like ions up to Z = 10. The results obtained from the novel method are in good agreement with the available theoretical calculations and experimental observations.

Upper bound solution of supporting pressure for a shallow square tunnel based on the Hoek-Brown failure criterion

To analyze the stability of a shallow square tunnel, a new curved failure mechanism, representing the mechanical characteristics and collapsing form of this type of tunnel, is constructed. Based on the upper bound theorem of limit analysis and the Hoek-Brown nonlinear failure criterion, the supporting pressure derived from the virtual work rate equation is regarded as an objective function to achieve optimal calculation. By employing variational calculation to optimize the objective function, an upper bound solution for the supporting pressure and the collapsing block shape of a shallow square tunnel are obtained. To evaluate the validity of the failure mechanism proposed in this paper, the solutions computed by the curved failure mechanism are compared with the results calculated by the linear multiple blocks failure mechanism when the Hoek-Brown nonlinear failure criterion is converted into the Mohr-Coulomb linear criterion. The influences of rock mass parameters on the supporting pressure and collapsing block shape are discussed.

A new N* resonance as a hadronic molecular state

We report our recent work on a hadronic molecule state of the KKN system with I =1/2 and jR = 1/2＋. We assume that the A（1405） resonance and the scalar mesons, f0（980）, ao（980）, are reproduced as quasi-bound states of KN and KK, respectively. Performing non-relativistic three-body calculations with a variational method for this system, we find a quasibound state of the KIlN system around 1910 MeV below the three-body breakup threshold. This state corresponds to a new baryon resonance of N＊ with JP ： 1/2＋. We find also that this resonance has the cluster structure of the two-body bound states keeping their properties as in the isolated two-particle systems. We also briefly discuss another hadronic molecular state composed by two K and one N, which corresponds to a resonance.