Search results for "Statistical physics"
showing 10 items of 1402 documents
System-environment correlations and Markovian embedding of quantum non-Markovian dynamics
2018
We study the dynamics of a quantum system whose interaction with an environment is described by a collision model, i.e. the open dynamics is modelled through sequences of unitary interactions between the system and the individual constituents of the environment, termed "ancillas", which are subsequently traced out. In this setting non-Markovianity is introduced by allowing for additional unitary interactions between the ancillas. For this model, we identify the relevant system-environment correlations that lead to a non-Markovian evolution. Through an equivalent picture of the open dynamics, we introduce the notion of "memory depth" where these correlations are established between the syste…
Dynamics of single semiflexible polymers in dilute solution
2016
We study the dynamics of a single semiflexible chain in solution using computer simulations, where we systematically investigate the effect of excluded volume, chain stiffness, and hydrodynamic interactions. We achieve excellent agreement with previous theoretical considerations, but find that the crossover from the time τb, up to which free ballistic motion of the monomers describes the chain dynamics, to the times W−1 or τ0, where anomalous monomer diffusion described by Rouse-type and Zimm-type models sets in, requires two decades of time. While in the limit of fully flexible chains the visibility of the anomalous diffusion behavior is thus rather restricted, the t3/4 power law predicted…
Hybrid particle-continuum simulations coupling Brownian dynamics and local dynamic density functional theory
2017
We present a multiscale hybrid particle-field scheme for the simulation of relaxation and diffusion behavior of soft condensed matter systems. It combines particle-based Brownian dynamics and field-based local dynamics in an adaptive sense such that particles can switch their level of resolution on the fly. The switching of resolution is controlled by a tuning function which can be chosen at will according to the geometry of the system. As an application, the hybrid scheme is used to study the kinetics of interfacial broadening of a polymer blend, and is validated by comparing the results to the predictions from pure Brownian dynamics and pure local dynamics calculations.
Perspective: Polarizable continuum models for quantum-mechanical descriptions
2016
Polarizable continuum solvation models are nowadays the most popular approach to describe solvent effects in the context of quantum mechanical calculations. Unexpectedly, despite their widespread use in all branches of quantum chemistry and beyond, important aspects of both their theoretical formulation and numerical implementation are still not completely understood. In particular, in this perspective we focus on the numerical issues of their implementation when applied to large systems and on the theoretical framework needed to treat time dependent problems and excited states or to deal with electronic correlation. Possible extensions beyond a purely electrostatic model and generalization…
Equation of State for Macromolecules of Variable Flexibility in Good Solvents: A Comparison of Techniques for Monte Carlo Simulations of Lattice Mode…
2007
The osmotic equation of state for the athermal bond fluctuation model on the simple cubic lattice is obtained from extensive Monte Carlo simulations. For short macromolecules (chain length N=20) we study the influence of various choices for the chain stiffness on the equation of state. Three techniques are applied and compared in order to critically assess their efficiency and accuracy: the repulsive wall method, the thermodynamic integration method (which rests on the feasibility of simulations in the grand canonical ensemble), and the recently advocated sedimentation equilibrium method, which records the density profile in an external (e.g. gravitation-like) field and infers, via a local …
Many-Body Quantum Dynamics from the Density
2013
We present a local control scheme to construct the external potential v that, for a given initial state, produces a prescribed time-dependent density in an interacting quantum many-body system. This numerical method is efficient and stable even for large and rapid density variations irrespective of the initial state and the interactions. It can at the same time be used to answer fundamental v-representability questions in density functional theory. In particular, in the absence of interactions, it allows us to construct the exact time-dependent Kohn-Sham potential for arbitrary initial states. We illustrate the method in a correlated one-dimensional two-electron system with different intera…
Scale-free static and dynamical correlations in melts of monodisperse and Flory-distributed homopolymers: A review of recent bond-fluctuation model s…
2011
It has been assumed until very recently that all long-range correlations are screened in three-dimensional melts of linear homopolymers on distances beyond the correlation length $\xi$ characterizing the decay of the density fluctuations. Summarizing simulation results obtained by means of a variant of the bond-fluctuation model with finite monomer excluded volume interactions and topology violating local and global Monte Carlo moves, we show that due to an interplay of the chain connectivity and the incompressibility constraint, both static and dynamical correlations arise on distances $r \gg \xi$. These correlations are scale-free and, surprisingly, do not depend explicitly on the compres…
Dynamics of correlations due to a phase noisy laser
2012
We analyze the dynamics of various kinds of correlations present between two initially entangled independent qubits, each one subject to a local phase noisy laser. We give explicit expressions of the relevant quantifiers of correlations for the general case of single-qubit unital evolution, which includes the case of a phase noisy laser. Although the light field is treated as classical, we find that this model can describe revivals of quantum correlations. Two different dynamical regimes of decay of correlations occur, a Markovian one (exponential decay) and a non-Markovian one (oscillatory decay with revivals) depending on the values of system parameters. In particular, in the non-Markovia…
The Boltzmann Probability as a Unifying Approach to Different Phenomena
2010
We discuss a pedagogical approach to the role of the Boltzmann probability in describing the temperature dependence of three simple experimental situations. The approach has been experimented in an introductory course on statistical mechanics for undergraduate engineering students at University of Palermo.
Linear and nonlinear spin dynamics in multi-domain magnetoelastic antiferromagnets
2021
Antiferromagnets have recently surged as the prominent material platform for the next generation spintronics devices. Despite the remarkable abundance of antiferromagnets and the variety of their spin textures in nature, they share a widely common, if not ubiquitous, feature. Magnetoelasticity, which is expressed as strictions of different origin, relativistic and/or exchange, significantly contributes to the magnetic anisotropy of antiferromagnets. Crucially, a general theoretical framework able to address the role of domain walls on the spin dynamics in antiferromagnets in the presence of magnetoelasticity is lacking. Here we tackle this problem developing a very general macroscopic pheno…