相关论文: Gas phase appearance and disappearance as a proble…
We present a solution to the conservation form (Eulerian form) of the quantum hydrodynamic equations which arise in chemical dynamics by implementing a mixed/discontinuous Galerkin (MDG) finite element numerical scheme. We show that this…
The system of a proton and an electron in an inert and impenetrable spherical cavity is studied by solving Schr\"{o}dinger equation with the correct boundary conditions. The differential equation of a hydrogen atom in a cavity is derived.…
Hydrogen as a fuel can be stored safely with high volumetric density in metals. It can, however, also be detrimental to metals causing embrittlement. Understanding fundamental behavior of hydrogen at atomic scale is key to improve the…
An inexact Newton type method for numerical minimization of convex piecewise quadratic functions is considered and its convergence is analyzed. Earlier, a similar method was successfully applied to optimizaton problems arising in numerical…
The density functional approach in the Kohn-Sham approximation is widely used to study properties of many-electron systems. Due to the nonlinearity of the Kohn-Sham equations, the general self-consistence searching method involves…
Variational phase-field models of brittle fracture pose a local constrained minimization problem of a non-convex energy functional. In the discrete setting, the problem is most often solved by alternate minimization, exploiting the separate…
An extension of the Gauss-Newton algorithm is proposed to find local minimizers of penalized nonlinear least squares problems, under generalized Lipschitz assumptions. Convergence results of local type are obtained, as well as an estimate…
We present a novel, generalised formulation to treat coupled structural integrity problems by combining phase field and multi-physics modelling. The approach exploits the versatility of the heat transfer equation and is therefore well…
An exact analytical solution of the statistical multifragmentation model is found in thermodynamic limit. The system of nuclear fragments exhibits a 1-st order liquid-gas phase transition. The peculiar thermodynamic properties of the model…
We present a phase field modeling framework for hydrogen assisted cracking. The model builds upon a coupled mechanical and hydrogen diffusion response, driven by chemical potential gradients, and a hydrogen-dependent fracture energy…
This work devises a formalism to obtain the equations of motion for a black hole-fluid configuration. Our approach is based on a Post-Newtonian expansion and adapted to scenarios where obtaining the relevant dynamics requires long…
$N$-naturalness is a novel solution to the electroweak hierarchy problem which posits $N$ copies of the Standard Model with varying Higgs mass-squared parameters. Reheating proceeds through a "reheaton" particle that deposits most of its…
Inexact Newton Methods are widely used to solve systems of nonlinear equations. The convergence of these methods is controlled by the relative linear tolerance, $\eta_\nu$, that is also called the forcing term. A very small $\eta_\nu$ may…
A numerical method based on the hybridizable discontinuous Galerkin method in space and backward Euler in time is formulated and analyzed for solving the miscible displacement problem. Under low regularity assumptions, convergence is…
This paper describes a method for solving smooth nonconvex minimization problems subject to bound constraints with good worst-case complexity guarantees and practical performance. The method contains elements of two existing methods: the…
The equation of state of nuclear matter suggests that at suitable beam energies the disassembling hot system formed in heavy ion collisions will pass through a liquid-gas coexistence region. Searching for the signatures of the phase…
For the calculation of complex neutral/ionized gas phase chemical equilibria, we present a semi-analytical versatile and efficient computer program, called FastChem. The applied method is based on the solution of a system of coupled…
An existence result is proved for a nonlinear diffusion problem of phase-field type, consisting of a parabolic system of two partial differential equations, complemented by Neumann homogeneous boundary conditions and initial conditions.…
We investigate a possibility to regularize the hydrodynamic contact line singularity in the configuration of partial wetting (liquid wedge on a solid substrate) via evaporation-condensation, when an inert gas is present in the atmosphere…
In this paper we carry out numerical analysis for a family of simplified gas transport models with hydrate formation and dissociation in subsurface, in equilibrium and non-equilibrium conditions. These models are adequate for simulation of…