Related papers: Advanced Thermostats for Molecular Dynamics
The nonisothermal single-component theory of droplet nucleation (Alekseechkin, 2014) is extended to binary case; the droplet volume V, composition x, and temperature T are the variables of the theory. An approach based on macroscopic…
We show that for any liquid or solid with strong correlation between its $NVT$ virial and potential-energy equilibrium fluctuations, the temperature is a product of a function of excess entropy per particle and a function of density,…
Nanoscale devices - either biological or artificial - operate in a regime where the usual assumptions of a structureless, Markovian, bath do not hold. Being able to predict and study the dynamics of such systems is crucial and is usually…
A formalism for anisotropic fluid dynamics is proposed. It is designed to describe boost-invariant systems with anisotropic pressure. Such systems are expected to be produced at the early stages of relativistic heavy-ion collisions, when…
It is known that the origin of the deviations from standard thermodynamics proceed from the strong coupling to the bath. Here, it is shown that these deviations are related to the power spectrum of the bath. Specifically, it is shown that…
We consider a system consisting of two interacting classical particles, each one subject to an on-site potential and to a Langevin thermal bath. We analytically calculate the heat current that can be established through the system when the…
For a wide class of stochastic athermal systems, we derive Langevin-like equations driven by non-Gaussian noise, starting from master equations and developing a new asymptotic expansion. We found an explicit condition whereby the…
This thesis is devoted to the study of physical systems embedded within the field of non-equilibrium statistical mechanics. Specifically, the state of the systems of interest constitutes a stochastic process that can be externally driven by…
The dynamics of short 1D nonlinear Hamiltonian chains is analyzed numerically at different temperatures (energy per particle). The boundary temperature $T_b$ separating the regular (quasiperiodic) and the stochastic (chaotic) chain motion…
An exact reduced dynamical map along with its operator sum representation is derived for a central spin interacting with a thermal spin environment. The dynamics of the central spin shows high sustainability of quantum traits such as…
Active colloidal particles that are propelled by a self-diffusiophoretic mechanism are often described by Langevin equations that are either postulated on physical grounds or derived using the methods of fluctuating hydrodynamics. While…
Stochastic thermodynamics is formulated for variables that are odd under time reversal. The invariance under spatial rotation of the collision rates due to the isotropy of the heat bath is shown to be a crucial ingredient. An alternative…
Non-isothermal particles suspended in a fluid lead to complex interactions -- the particles respond to changes in the fluid flow, which in turn is modified by their temperature anomaly. Here, we perform a novel proof-of-concept numerical…
We present a novel mechanism for thermalizing a system of particles in equilibrium and nonequilibrium situations, based on specifically modeling energy transfer at the boundaries via a microscopic collision process. We apply our method to…
Effective descriptions accounting for the evolution of quantum systems that are acted on by a bath are desirable. As the number of bath degrees of freedom increases and full quantum simulations turn out computationally prohibitive, simpler…
Based on a variational expression for the steady-state entropy production rate in overdamped Langevin dynamics, we derive concrete upper bounds on the entropy production rate in various physical settings. For particles in a thermal…
Developing the non-equilibrium thermodynamics of friction is required for systematic design of low friction surfaces for a broad range of technological applications. Intuitively, the thermodynamic work done by a material sliding along a…
We present a novel approach to investigate the long-time stochastic dynamics of multi-dimensional classical systems, in contact with a heat-bath. When the potential energy landscape is rugged, the kinetics displays a decoupling of short and…
To describe the nonequilibrium states of a system we introduce a new thermodynamic parameter - the lifetime of a system. The statistical distributions which can be obtained out of the mesoscopic description characterizing the behaviour of a…
Classical molecular dynamics (MD) has been shown to be effective in simulating heat conduction in certain molecular junctions since it inherently takes into account some essential methodological components which are lacking with quantum…