On the influence of reflective boundary conditions on the statistics of Poisson-Kac diffusion processes

We analyze the influence of reflective boundary conditions on the statistics of Poisson-Kac diffusion processes, and specifically how they modify the Poissonian switching-time statistics. After addressing simple cases such as diffusion in a channel, and the switching statistics in the presence of a polarization potential, we thoroughly study Poisson-Kac diffusion in fractal domains. Diffusion in fractal spaces highlights neatly how the modification in the switching-time statistics associated with reflections against a complex and fractal boundary induces new emergent features of Poisson-Kac diffusion leading to a transition from a regular behavior at shorter timescales to emerging anomalous diffusion properties controlled by walk dimensionality of the fractal set

Stochastic foundations of undulatory transport phenomena: Generalized Poisson-Kac processes - Part II Irreversibility, Norms and Entropies

In this second part, we analyze the dissipation properties of Generalized Poisson-Kac (GPK) processes, considering the decay of suitable $L^2$-norms and the definition of entropy functions. In both cases, consistent energy dissipation and entropy functions depend on the whole system of primitive statistical variables, the partial probability density functions $\{ p_\alpha({\bf x},t) \}_{\alpha=1}^N$, while the corresponding energy dissipation and entropy functions based on the overall probability density $p({\bf x},t)$ do not satisfy monotonicity requirements as a function of time. Examples from chaotic advection (standard map coupled to stochastic GPK processes) illustrate this phenomenon. Some complementary physical issues are also addressed: the ergodicity breaking in the presence of attractive potentials, and the use of GPK perturbations to mollify stochastic field equations

Markovian nature, completeness, regularity and correlation properties of Generalized Poisson-Kac processes

We analyze some basic issues associated with Generalized Poisson-Kac (GPK) stochastic processes, starting from the extended notion of the Markovian condition. The extended Markovian nature of GPK processes is established, and the implications of this property derived: the associated adjoint formalism for GPK processes is developed essentially in an analogous way as for the Fokker-Planck operator associated with Langevin equations driven by Wiener processes. Subsequently, the regularity of trajectories is addressed: the occurrence of fractality in the realizations of GPK is a long-term emergent property, and its implication in thermodynamics is discussed. The concept of completeness in the stochastic description of GPK is also introduced. Finally, some observations on the role of correlation properties of noise sources and their influence on the dynamic properties of transport phenomena are addressed, using a Wiener model for comparison

Stochastic foundations of undulatory transport phenomena: Generalized Poisson-Kac processes - Part I Basic theory

This article introduces the notion of Generalized Poisson-Kac (GPK) processes which generalize the class of "telegrapher's noise dynamics" introduced by Marc Kac in 1974, usingPoissonian stochastic perturbations. In GPK processes the stochastic perturbation acts as a switching amongst a set of stochastic velocity vectors controlled by a Markov-chain dynamics. GPK processes possess trajectory regularity (almost everywhere) and asymptotic Kac limit, namely the convergence towards Brownian motion (and to stochastic dynamics driven by Wiener perturbations), which characterizes also the long-term/long-distance properties of these processes. In this article we introduce the structural properties of GPK processes, leaving all the physical implications to part II and part III

A multiscale approach to triglycerides simulations: from atomistic to coarse-grained models and back

The aim of this paper is to provide a simulation strategy to study the liquid-solid transition of triglycerides. The strategy is based on a multiscale approach. A coarse-grained model, parameterized on the basis of reference atomistic simulations, has been used to model the liquid-solid transition. A reverse mapping procedure has been proposed to reconstruct atomistic models from coarse-grained configurations and validated against experimental structural properties. The nucleation and growth of the crystalline order have been analysed in terms of several properties