Related papers: Molecular Dynamics Simulations of Detonation Insta…
Molecular dynamics simulations are an important tool for describing the evolution of a chemical system with time. However, these simulations are inherently held back either by the prohibitive cost of accurate electronic structure theory…
Structural, dynamical, bonding, and electronic properties of water molecules around a soluted methane molecule are studied from first principles. The results are compatible with experiments and qualitatively support the conclusions of…
The evolution of strange mode instabilities into the non linear regime has been followed by numerical simulation for an envelope model of a massive star having solar chemical composition, M=50M_sun, T_eff=10^4K and L=1.17*10^6 L_sun.…
The stability of radially anisotropic spherical stellar systems in modified Newtonian dynamics (MOND) is explored by means of numerical simulations performed with the N-body code N-MODY. We find that Osipkov-Merritt MOND models require for…
This paper analyzes the stability of a reactiondiffusion equation coupled with a finite-dimensional controller through Dirichlet boundary input and Neumann boundary output. Going against the flow, we intend to propose numerical certificates…
A geometrical analysis of the stability of nuclei against deformations is presented. In particular, we use Catastrophe Theory to illustrate discontinuous changes in the behavior of nuclei with respect to deformations as one moves in the N -…
The magnetic instability at the front of the spin avalanche in a crystal of molecular magnets is considered. This phenomenon reveals similar features with the Darrieus-Landau instability, inherent to classical combustion flame fronts. The…
The use of available disturbance predictions within a nominal model predictive control formulation is studied. The main challenge that arises is the loss of recursive feasibility and stability guarantees when a persistent disturbance is…
Traditionally the effects of MHD instabilities and micro-instabilities on plasma confinement are investigated separately. However, these two instabilities often occur simultaneously, with the overlap of the dynamics on a broad range of…
The addition of individual quanta of rotational excitation to a molecule has been shown to markedly change its reactivity by significantly modifying the intermolecular interactions. So far, it has only been possible to observe these…
Let $\mathcal{F}$ be a $C^2$ random partially hyperbolic dynamical system. For the unstable foliation, the corresponding unstable metric entropy, unstable topological entropy and unstable pressure via the dynamics of $\mathcal{F}$ on the…
When a beam propagates in an accelerator, it interacts with both the external fields and the self-generated electromagnetic fields. If the latter are strong enough, the interplay between them and a perturbation in the beam distribution…
A general system of several ordinary differential equations coupled with a reaction-diffusion equation in a bounded domain with zero-flux boundary condition is studied in the context of pattern formation. These initial-boundary value…
Here we analyze properties of an equation that we previously proposed to model the dynamics of unstable detonation waves [A. R. Kasimov, L. M. Faria, and R. R. Rosales. Model for shock wave chaos. Physical Review Letters, 110(10):104104,…
Molecular dynamics (MD) simulations of the zeta potential are so poor that it has become common to term their predictions 'apparent'. Here we demonstrate how zeta potentials that agree with measured values can be calculated by: (1)…
Turing instabilities for a two species reaction-diffusion systems is studied under anisotropic diffusion. More specifically, the diffusion constants which characterize the ability of the species to relocate in space are direction sensitive.…
Modulation instability in a nonlinear optical waveguide array with alternating positive and negative refractive indices is investigated analytically. Particular solutions of a system of coupled nonlinear equations are found. These solutions…
Molecular Dynamics studies of chemical processes in solution are of great value in a wide spectrum of applications, which range from nano-technology to pharmaceutical chemistry. However, these calculations are affected by severe finite-size…
The Turing instability paradigm is revisited in the context of a multispecies diffusion scheme derived from a self-consistent microscopic formulation. The analysis is developed with reference to the case of two species. These latter share…
This paper invites the reader to experiment with an easy-to-use MATLAB implementation of Metropolis integrators for Molecular Dynamics (MD) simulation. These integrators are analysis-based, in the sense that they can rigorously simulate…