Related papers: Exploring Isomerization Dynamics on a Potential En…
The dissertation contains 4 original chapters: 1) Parametric excitation of Soret-driven convection of binary mixture in a horizontal porous layer. 2) Soret-driven convection in a horizontal porous layer from a heat or concentration source.…
This paper presents a new monolithic free-surface formulation that exhibits correct kinetic and potential energy behavior. We focus in particular on the temporal energy behavior of two-fluids flow with varying densities. Correct energy…
We analyse the relationship between dynamics and configuration space structure of Ising spin glass systems. The exact knowledge of the structure of the low--energy landscape is used to study the relaxation of the system by random walk in…
Filtration of real gases described by Peng-Robinson equations of state in 3-dimensional space is studied. Thermodynamic states are considered as either Legendrian submanifolds in contact space, or Lagrangian submanifolds in symplectic…
We study the excitation spectrum in the dimer phase of the Shastry-Sutherland model by using an unbiased variational method that works in the thermodynamic limit. The method outputs dynamical correlation functions in all possible channels.…
A geometrical model which captures the main ingredients governing atom-diatom collinear chemical reactions is proposed. This model is neither near-integrable nor hyperbolic, yet it is amenable to analysis using a combination of the recently…
The aim of this paper is to study dynamical and topological properties of a flow in the region of influence of an isolated non-saddle set. We see, in particular, that some topological conditions are sufficient to guarantee that these sets…
This study presents a comprehensive and innovative exploration of how the surface potential energy landscape influences meander formation. Using the Vicinal Cellular Automaton model, which distinguishes surface diffusion from adatom…
The energetic properties of nuclear clusters inside a low-density, finite-temperature medium are studied with a Lattice Gas Model including isospin dependence and Coulomb forces. Important deviations are observed respect to the Fisher…
Recent studies attracted the attention on the inherent structure landscape (ISL) approach as a reduced description of proteins allowing to map their full thermodynamic properties. However, the analysis has been so far limited to a single…
We analyze the generation of kinetic instabilities and their effect on the energization of ions in non-relativistic, oblique collisionless shocks using a 3D-3V simulation by $\texttt{dHybridR}$, a hybrid particle-in-cell code. At…
Further thermodynamic investigations into the behaviour of a polar dielectric working fluid under non-equilibrium and negative pressure conditions are reported. The establishment of a long-range van der Waals interaction between clathrate…
We use the saddle-approach, recently introduced in the numerical investigation of simple model liquids, in the analysis of a mean-field solvable system. The investigated system is the k-trigonometric model, a k-body interaction mean field…
In this study the magnetization phenomenon has been investigated as a behavior of interacting elementary moments ensemble, with the help of Ising model [1] in the frame of non-extensive statistical mechanics. To investigate the physical…
Free energy landscapes decisively determine the progress of enzymatically catalyzed reactions[1]. Time-resolved macromolecular crystallography unifies transient-state kinetics with structure determination [2-4] because both can be…
This paper investigates manipulability of interactive Lagrangian systems with parametric uncertainty and communication/sensing constraints. Two standard examples are teleoperation with a master-slave system and teaching operation of robots.…
We study surface effects in amorphous polymer systems by means of computer simulation. In the framework of molecular dynamics, we present two different methods to prepare such surfaces. {\em Free} surfaces are stabilized solely by…
A spin-1 Ising model incorporating positional order to a standard lattice gas with no attractive interactions is introduced and found to be consistent with all known attributes of the freezing transition of the hard-sphere system.…
Interfacial structure and correlation functions near a two-dimensional (2D) wedge filling transition are studied using effective interfacial Hamiltonian models. An exact solution for short range binding potentials and results for Kratzer…
Turbulence in the upper ocean in the submesoscale range (scales smaller than the deformation radius) plays an important role for the heat exchange with the atmosphere and for oceanic biogeochemistry. Its dynamics should strongly depend on…