Configuration interactions constrained by energy density functionals

A new method for constructing a Hamiltonian for configuration interaction calculations with constraints to energies of spherical configurations obtained with energy-density-functional (EDF) methods is presented. This results in a unified model that reproduced the EDF binding-energy in the limit of single-Slater determinants, but can also be used for obtaining energy spectra and correlation energies with renormalized nucleon–nucleon interactions. The three-body and/or density-dependent terms that are necessary for good nuclear saturation properties are contained in the EDF. Applications to binding-energies and spectra of nuclei in the region above ²⁰⁸Pb are given.     

Bifurcations of a creeping air–water flow in a conical container

This numerical study describes the eddy emergence and transformations in a slow steady axisymmetric air–water flow, driven by a rotating top disk in a vertical conical container. As water height \(H_{\mathrm{w}}\) and cone half-angle \(\beta \) vary, numerous flow metamorphoses occur. They are investigated for \(\beta =30^{\circ }, 45^{\circ }\), and \(60^{\circ }\). For small \(H_{\mathrm{w}}\), the air flow is multi-cellular with clockwise meridional circulation near the disk. The air flow becomes one cellular as \(H_{\mathrm{w}}\) exceeds a threshold depending on \(\beta \). For all \(\beta \), the water flow has an unbounded number of eddies whose size and strength diminish as the cone apex is approached. As the water level becomes close to the disk, the outmost water eddy with clockwise meridional circulation expands, reaches the interface, and induces a thin layer with anticlockwise circulation in the air. Then this layer expands and occupies the entire air domain. The physical reasons for the flow transformations are provided. The results are of fundamental interest and can be relevant for aerial bioreactors.     

Continuous dependence estimates for viscosity solutions of integro-PDEs

We present a general framework for deriving continuous dependence estimates for, possibly polynomially growing, viscosity solutions of fully nonlinear degenerate parabolic integro-PDEs. We use this framework to provide explicit estimates for the continuous dependence on the coefficients and the “Lévy measure” in the Bellman/Isaacs integro-PDEs arising in stochastic control/differential games. Moreover, these explicit estimates are used to prove regularity results and rates of convergence for some singular perturbation problems. Finally, we illustrate our results on some integro-PDEs arising when attempting to price European/American options in an incomplete stock market driven by a geometric Lévy process. Many of the results obtained herein are new even in the convex case where stochastic control theory provides an alternative to our pure PDE methods.     

A comparison study on multivariant and univariant finite elements for three-dimensional incompressible viscous flows

In this paper, four quadratic hexahedron elements are considered and assessed for analysis of an incompressible viscous flow underlying the mixed finite element method. We classify the investigated elements as multivariant and univariant finite elements. With the same number of pressure unknowns, multivariant elements are more constrained when the number of elements per side is larger than 10, as compared with that of continuous pressure elements. In multivariant eléments, the coding is complicated by the appearance of restricted degrees of freedom at mid-face and mid-edge nodes. The comparison consequently should be made via numerical example against the analytical problem.     

Least-squares spectral method for solving advective population balance problems

The combined CFD-PBE (population balance models) are computationally intensive requiring efficient numerical methods for solving practical problems. In this paper, a high order method is presented based on the least-squares method (LSM) for the solution of a spatial-dependent population balance equation which includes advective processes. Numerical experiments are performed in order to study the behavior of the proposed method for one-dimensional cases using model problems with analytical solutions.     

Decoupling of magnetically interacting crystallites of goethite

The magnetic properties of synthetic goethite, precipitated from a SiO₂-containing Fe(III) solution, have been studied. The Mössbauer spectra show the coexistence of a quadrupole doublet and a magnetically split component in a large temperature range. The area ratio of these two components depends strongly on temperature, indicating a normal superparamagnetic behaviour of isolated crystallites. This is in contrast to the behaviour normally exhibited by pure samples of microcrystalline goethite, in which strong magnetic interactions among the crystallites lead to a superferromagnetic behaviour. The results show that the magnetic interactions among the crystallites are drastically diminished when amorphous SiO₂ separates the goethite crystallites.     

On distributional solutions of local and nonlocal problems of porous medium type

We present a theory of well-posedness and a priori estimates for bounded distributional (or very weak) solutions of

(0.1)${?}_{t}u?{\mathfrak{L}}^{\sigma ,\mu }[\phi (u)]=g(x,t)\text{in}{\mathbb{R}}^N\times (0,T),$

where φ is merely continuous and nondecreasing, and ${\mathfrak{L}}^{\sigma ,\mu }$ is the generator of a general symmetric Lévy process. This means that ${\mathfrak{L}}^{\sigma ,\mu }$ can have both local and nonlocal parts like, e.g., ${\mathfrak{L}}^{\sigma ,\mu }=\mathrm{\Delta }?{(?\mathrm{\Delta })}^{\frac{1}{2}}$. New uniqueness results for bounded distributional solutions to this problem and the corresponding elliptic equation are presented and proven. A key role is played by a new Liouville type result for ${\mathfrak{L}}^{\sigma ,\mu }$. Existence and a priori estimates are deduced from a numerical approximation, and energy-type estimates are also obtained.     

The discontinuous Galerkin method for fractional degenerate convection-diffusion equations

We propose and study discontinuous Galerkin methods for strongly degenerate convection-diffusion equations perturbed by a fractional diffusion (Lévy) operator. We prove various stability estimates along with convergence results toward properly defined (entropy) solutions of linear and nonlinear equations. Finally, the qualitative behavior of solutions of such equations are illustrated through numerical experiments.