Related papers: Microscopic Reversibility or Detailed Balance in I…
In this paper we propose a novel approach to construct macroscopic balance equations and constitutive equations describing various irreversible phenomena. It is based on the general principles of non-equilibrium thermodynamics and consists…
We study a gas network flow regulation control problem showing the closed-loop consequences of using interconnected component models, which have been designed to preserve a variant of mass flow conservation without the inclusion of…
The principle of microscopic reversibility is a fundamental element in the formulation of fluctuation relations and the Onsager reciprocal relations. As such, a clear description of whether and how this principle is adapted to the quantum…
In this paper we study how to determine if a linear biochemical network satisfies the detailed balance condition, without knowing the details of all the reactions taking place in the network. To this end, we use the formalism of response…
Materials undergoing both phase separation and chemical reactions (defined here as all processes that change particle type or number) form an important class of non-equilibrium systems. Examples range from suspensions of self-propelled…
Diffusive molecular dynamics is a novel model for materials with atomistic resolution that can reach diffusive time scales. The main ideas of diffusive molecular dynamics are to first minimize an approximate variational Gaussian free energy…
The classical models for irreversible diffusion-influenced reactions can be derived by introducing absorbing boundary conditions to over-damped continuous Brownian motion (BM) theory. As there is a clear corresponding stochastic process,…
Heavy ion collisions at ultrarelativistic energies offer the opportunity to study the irreversibility of multiparticle processes. Together with the many-body decays of resonances, the multiparticle processes cause the system to evolve…
Ion channels are important proteins for physiological information transfer and functional control. To predict the microscopic origins of their voltage-conductance characteristics, we here applied dissipation-corrected targeted Molecular…
Interacting-Particle Reaction Dynamics (iPRD) simulates the spatiotemporal evolution of particles that experience interaction forces and can react with one another. The combination of interaction forces and reactions enable a wide range of…
A model of mobile, charged ion channels in a fluid membrane is studied. The channels may switch between an open and a closed state according to a simple two-state kinetics with constant rates. The effective electrophoretic charge and the…
The adoption of detailed mechanisms for chemical kinetics often poses two types of severe challenges: First, the number of degrees of freedom is large; and second, the dynamics is characterized by widely disparate time scales. As a result,…
When describing the effective dynamics of an observable in a many-body system, the repeated randomness assumption, which states that the system returns in a short time to a maximum entropy state, is a crucial hypothesis to guarantee that…
We consider the ground states of binary atomic boson-boson and fermion-fermion mixtures confined in one-dimensional box potentials by simulating the systems using few-body models with delta-function interactions and many-body models with…
The molecular mechanism of ion channel gating and substrate modulation is elusive for many voltage gated ion channels, such as eukaryotic sodium ones. The understanding of channel functions is a pressing issue in molecular biophysics and…
We develop a general approach to setting up and studying classes of quantum dynamical systems close to and structurally similar to systems having specified properties, in particular detailed balance. This is done in terms of transport plans…
In the present paper the macroscopic limits of the kinetic model for inter-acting entities (individuals, organisms, cells) are studied. The kinetic model is one-dimensional and entities are characterized by their position and orientation…
Evaluating the channel capacity is one of many key problems in information theory. In this work we derive rather-mild sufficient conditions under which the capacity is finite and achievable. These conditions are derived for generic,…
Recent advance in nanotechnology has led to rapid advances in nanofluidics, which has been established as a reliable means for a wide variety of applications, including molecular separation, detection, crystallization and biosynthesis.…
In cross-section-space probability table constructions, reaction-channel levels are reconstructed on fixed total-subgroup nodes and probabilities. Although the standard full-matching reconstruction is uniquely determined, it does not in…