相关论文: Reaction rate theory with account of the crystal a…

We consider the homogenisation of the instationary Stokes equations in a porous medium with an a-priori given evolving microstructure. In order to pass to the homogenisation limit, we transform the Stokes equations to a domain with a fixed…

We study diffusion-reaction processes on periodic square planar lattices and simple cubic (sc) lattices. Considered first is a single diffusing reactant undergoing an irreversible reaction upon first encounter with a stationary co-reactant…

In this thesis, we use classical, semi-classical and quantum-mechanical methods to simulate chemical reaction dynamics inside of an optical cavity. Within such a cavity, by selectively coupling vibrational modes of the reactants to the…

The effect of the absorption of hard X-ray photons on the solid-state dynamics, at energies below the defect creation threshold, is considered. First, it is shown that due to the sensitivity to parameter choices, the present state of the…

Variational perturbation theory is used to determine the decay rates of metastable states across a cubic barrier of arbitrary height. For high barriers, a variational resummation procedure is applied to the complex energy eigenvalues…

We address the question: Why may reaction-diffusion equations with hysteretic nonlinearities become ill-posed and how to amend this? To do so, we discretize the spatial variable and obtain a lattice dynamical system with a hysteretic…

The problem of estimating non-resonant astrophysical S-factors and thermonuclear reaction rates, based on measured nuclear cross sections, is of major interest for nuclear energy generation, neutrino physics, and element synthesis. Many…

We consider a class of nonequilibrium systems of interacting agents with pairwise interactions and quenched disorder in the dynamics featuring, in the thermodynamic limit, phase transitions. We provide conditions on the microscopic…

Nuclear reaction rates determine the abundances of isotopes in stellar burning processes. A multitude of reactions determine the reaction flow pattern which is described in terms of reaction network simulations. The reaction rates are…

Diffusion-coagulation can be simply described by a dynamic where particles perform a random walk on a lattice and coalesce with probability unity when meeting on the same site. Such processes display non-equilibrium properties with strong…

Classical theories of chemical kinetics assume independent reactions in dilute solutions, whose rates are determined by mean concentrations. In condensed matter, strong interactions alter chemical activities and create inhomogeneities that…

The classical mass action law in chemical kinetics is put into the context of multiscale thermodynamics.Despite the purely dissipative character of the classical mass action law, inertial effects also play a role in chemical kinetics.…

The most important recent results in the theory of phase transitions and quantum effects in quantum anharmonic crystals are presented and discussed. In particular, necessary and sufficient conditions for a phase transition to occur at some…

Transition path theory provides a statistical description of the dynamics of a reaction in terms of local spatial quantities. In its original formulation, it is limited to reactions that consist of trajectories flowing from a reactant set A…

Colloidal bodies of irregular shape rotate as they descend under gravity in solution. This rotational response provides a means of bringing a dispersion of identical bodies into a synchronized rotation with the same orientation using…

The degree of randomness, or partial order, present in two-dimensional supramolecular arrays of isophthalate tetracarboxylic acids is shown to vary due to subtle chemical changes such as the choice of solvent or small differences in…

In this work, the calculation of complexity on atomic systems is considered. In order to unveil the increasing of this statistical magnitude with the atomic number due to the relativistic effects, recently reported in [A. Borgoo, F. De…

Magnetic systems can exhibit thermally activated transitions whose timescales are often described by an Arrhenius law. However, robust predictions of such timescales are only available for certain cases. Inspired by the harmonic theory of…

We present a theory for rigorous quantum scattering calculations of probabilities for chemical reactions of atoms with diatomic molecules in the presence of an external electric field. The approach is based on the fully uncoupled basis set…

Recent experiments and computer simulations show that supercooled liquids around the glass transition temperature are "dynamically heterogeneous" [1]. Such heterogeneity is expected from the random first order transition theory of the glass…