Controlling the Trajectory of Swallowtail Gaussian Beams in Dynamic Parabolic Potentials

The propagation dynamics of finite-energy Swallowtail beams in a dynamic parabolic potential, including uniformly moving, accelerating, and oscillating potentials, are investigated. The strong influence of dynamic potentials on the propagation trajectory of Swallowtail beams is demonstrated and various effective manipulations of the beams, including trajectory control, are validated. The intensity and the focal position can also be affected. In addition, the extension to 2D scenarios is also presented. The results theoretically provide more diverse manipulation possibilities for Swallowtail beams, and thus may broaden their potential applications in trajectory and particle manipulation.     

Physicochemical assessment of prednisone adsorption on two molecular composites using statistical physics formalism in cosmetics

In this paper, we consider two different polyethylene filter plates coated with multi-walled carbon nanotubes (MWCNTs) and synthesized by surface molecularly imprinted technique, namely plate@MWCNTs@MIPs (PMIPs) and plate@MWCNTs@NIPs (PNIPs). They were used as effective adsorbents for selective adsorption and detection of prednisone (PS) in cosmetics. As a first assessment to investigate the performance of these adsorbents, the PS adsorption isotherms were analyzed using an advanced multilayer statistical physics model at three different temperatures ( 293, 303 and 313 K) and over a wide PS concentration range (0.09–1.5 mg/mL). The obtained analyzing results from the best fitting model showed that the PMIPs adsorbent displayed a high adsorption capacity (27.4 mg/g) due to the contribution of the number of PS molecules per site (n_m) combined with the receptor sites density (D_m), which displayed a high recognition ability due to the adsorption energy. Modeling analysis process indicated that the PS molecules could be anchored on the PMIPs and PNIPs surfaces via a non-parallel orientation where the adsorption is a multi-molecular process. The calculated adsorption energies globally varied from 4.51 to 7.62 kJ/mol, confirming the physical nature of the adsorption process for the studied systems, which is beneficial in cosmetics. Finally, three thermodynamic potentials (entropy, internal energy and free enthalpy) were evaluated for a better understanding of the physico-chemical behavior of the adsorption process.     

Inverse optimization for linearly constrained convex separable programming problems

In this paper, we study inverse optimization for linearly constrained convex separable programming problems that have wide applications in industrial and managerial areas. For a given feasible point of a convex separable program, the inverse optimization is to determine whether the feasible point can be made optimal by adjusting the parameter values in the problem, and when the answer is positive, find the parameter values that have the smallest adjustments. A sufficient and necessary condition is given for a feasible point to be able to become optimal by adjusting parameter values. Inverse optimization formulations are presented with ℓ₁ and ℓ₂ norms. These inverse optimization problems are either linear programming when ℓ₁ norm is used in the formulation, or convex quadratic separable programming when ℓ₂ norm is used.     

A law of large numbers and a central limit theorem for the Schrödinger operator with zero-range potentials

We consider the Schrödinger operator with zero-range potentials onN points of three-dimensional space, independently chosen according to a common distributionV(x). Under some assumptions we prove that, whenN goes to infinity, the sequence converges to a Schrödinger operator with an effective potential. The fluctuations around the limit operator are explicitly characterized.     

Semiclassical approximation for relativistic potentials

We consider the application of semiclassical approximation to relativistic potentials for massless particles where the kinetic energy is a nontrivial, nonlocal operator. Quantization rules are derived for an arbitrary confining potential and compared to some exact results forS-waves. These results admit of a partial generalization to smalll values.     

Molecular interactions in fullerenes and equilibrium of higher fullerites C76 and C84 with their vapors

From simple topological considerations on the molecular shapes, a new method for calculating the coefficients of the Girifalco intermolecular potential for various fullerenes is proposed. This eliminates the necessity for fitting the coefficients to data of measurements for each specific fullerene. We calculate them for C₇₆ and C₈₄ and apply this potential to perform research on the equilibrium of these fullerites with their vapors. The temperature dependence of the lattice parameters, the saturated vapor pressures and the enthalpies of sublimation is studied. Results are in good agreement with available experimental data. Received 13 January 2000 and Received in final form 18 June 2000     

Towards relativistic ECP / DFT description of chemical bonding in E112 compounds: spin-orbit and correlation effects in E112X versus HgX (X=H, Au)

The relativistic effective core potential (RECP) approach combined with the spin-orbit DFT electron correlation treatment was applied to the study of the bonding of eka-mercury (E112) and mercury with hydrogen and gold atoms. Highly accurate small-core shape-consistent RECPs derived from Hartree-Fock-Dirac-Breit atomic calculations with Fermi nuclear model were employed. The accuracy of the DFT correlation treatment was checked by comparing the results in the scalar-relativistic (spin-orbit-free) limit with those of high level scalar-relativistic correlation calculations within the same RECP model. E112H was predicted to be slightly more stable than its lighter homologue (HgH). The E112-Au bond energy is expected to be ca. 25–30 % weaker than that of Hg-Au. The role of correlations and magnetic (spin-dependent) interactions in E112-X and Hg-X (X=H, Au) bonding is discussed. The present computational procedure can be readily applied to much larger systems and seems to be a promising tool for simulating E112 adsorption on metal surfaces.     

Metastable state and macroscopic quantum tunneling of binary mixtures

We provide a mixing model to explore the metastable state and the macroscopic quantum tunneling (MQT) of binary mixtures. For , we first observe the two condensates form the symmetry-breaking state (SBS) and then suddenly transfer to the symmetry-preserving state (SPS) through the MQT. The SBS is shown to be the metastable state in our system. We find the MQT does not spontaneously arise. The inducement mechanism is the damping but not the excitations. The damping mechanism can also control the lifetime and the tunneling decay rate of the SBS. Finally, we further present the origin of these phenomena by examining the energy of the system.