English
Related papers

Related papers: Dissipative time dependent density functional theo…

200 papers

By combining methods of kinetic and density functional theory, we present a description of molecular fluids which accounts for their microscopic structure and thermodynamic properties as well as for the hydrodynamic behavior. We focus on…

Mesoscale and Nanoscale Physics · Physics 2015-05-18 Umberto Marini Bettolo Marconi , Simone Melchionna

The dynamical transverse magnetic Kohn-Sham susceptibility calculated within time-dependent density functional theory shows a fairly linear behavior for a finite energy window. This observation is used to propose a scheme where the…

Materials Science · Physics 2015-06-23 Samir Lounis , Manuel dos Santos Dias , Benedikt Schweflinghaus

We investigate non-equilibrium behavior of driven dissipative systems, using the model presented in [Phys. Rev. Lett. 93, 240601 (2004)]. We solve the non-Boltzmann steady state energy distribution and the temporal evolution to it, and find…

Statistical Mechanics · Physics 2007-05-23 Yair Shokef , Dov Levine

A nanowire with its two ends fixed at two different temperatures by external baths is the simplest example of a fermionic system with a temperature inhomogeneity, and could be an easy platform to study thermodynamic and transport properties…

Mesoscale and Nanoscale Physics · Physics 2025-04-07 Yuan Gao , K. A. Muttalib

We present a mesoscopic model for thermoelectric phenomena in terms of an interacting particle system, a lattice electron gas dynamics that is a suitable extension of the standard simple exclusion process. We concentrate on electronic heat…

Statistical Mechanics · Physics 2009-11-10 Christian Maes , Maarten H. van Wieren

Thermal density functional theory calculations often use the Mermin-Kohn-Sham scheme, but employ ground-state approximations to the exchange-correlation (XC) free energy. In the simplest solvable nontrivial model, an asymmetric Hubbard…

Strongly Correlated Electrons · Physics 2016-06-29 Justin C Smith , Aurora Pribram-Jones , Kieron Burke

Fluid dynamics accompanies with the entropy production thus increases the local temperature, which plays an important role in charged systems such as the ion channel in biological environment and electrodiffusion in capacitors/batteries. In…

Fluid Dynamics · Physics 2017-11-09 Pei Liu , Simo Wu , Chun Liu

Finite temperature density functional theory requires representations for the internal energy, entropy, and free energy as functionals of the local density field. A central formal difficulty for an orbital-free representation is…

Statistical Mechanics · Physics 2011-05-12 James W. Dufty , S. B. Trickey

A geometrically nonlinear theory for field dislocation thermomechanics based entirely on measurable state variables is proposed. Instead of starting from an ordering-dependent multiplicative decomposition of the total deformation gradient…

Materials Science · Physics 2024-12-18 Gabriel Dante Lima-Chaves , Amit Acharya , Manas Vijay Upadhyay

The characterization of finite-time thermodynamic processes is of crucial importance for extending equilibrium thermodynamics to nonequilibrium thermodynamics. The central issue is to quantify responses of thermodynamic variables and…

Statistical Mechanics · Physics 2023-09-15 Yuki Izumida

Nonintegrable systems thermalize, leading to the emergence of fluctuating hydrodynamics. Typically, this hydrodynamics is diffusive. We use the effective field theory (EFT) of diffusion to compute higher-point functions of conserved…

Strongly Correlated Electrons · Physics 2024-02-14 Luca V. Delacretaz , Ruchira Mishra

We show that the time dependent single electron, nuclear density matrix of an interacting electronic system coupled to nuclear degrees of freedom can be exactly reproduced by that of an electronic system with arbitrarily specified…

Materials Science · Physics 2009-02-07 Vinod Krishna

Based on the time-dependent density-functional theory, we have derived a rigorous formula for the stopping power of an {\it interacting} electron gas for ions in the limit of low projectile velocities. If dynamical correlation between…

Materials Science · Physics 2009-11-11 V. U. Nazarov , J. M. Pitarke , C. S. Kim , Y. Takada

In order to describe the nonisothermal dynamics of two-phase flows or binary mixtures such as colloidal suspensions consisting of colloidal particles and solvent on a microscopic level, we derive a new extended dynamical density functional…

Soft Condensed Matter · Physics 2026-03-06 Michael te Vrugt , Hartmut Löwen , Helmut R. Brand , Raphael Wittkowski

It is a great challenge of nonequilibrium statistical mechanics to calculate entropy production within a microscopic theory. In the framework of linear irreversible thermodynamics, we combine the Mori-Zwanzig-Forster projection operator…

Statistical Mechanics · Physics 2014-01-28 Raphael Wittkowski , Hartmut Löwen , Helmut R. Brand

Effects of collective modes on thermoelectric properties of a charge density system is studied. We derive the temperature dependence of thermoelectric power and thermal conductivity by applying the linear response theory to Fr\"ohlich…

Other Condensed Matter · Physics 2007-05-23 Hiroyuki Yoshimoto , Susumu Kurihara

The thermal transport properties of a two dimensional Fermi gas are explored, for the full range of temperatures and densities. The heat flux is established by solving the Uehling-Uhlebeck equation using a relaxation approximation given by…

Statistical Mechanics · Physics 2020-01-29 A. R. Méndez , A. L. García-Perciante , G. Chacón-Acosta

The dynamics of strongly interacting trapped dilute Fermi gases (dilute in the sense that the range of interatomic potential is small compared with inter-particle spacing) is investigated in a single-equation approach to the time-dependent…

Soft Condensed Matter · Physics 2009-02-05 Yeong E. Kim , Alexander L. Zubarev

A formulation of the density functional theory is constructed on the foundations of entropic inference. The theory is introduced as an application of maximum entropy for inhomogeneous fluids in thermal equilibrium. It is shown that entropic…

Statistical Mechanics · Physics 2023-12-29 Ahmad Yousefi , Ariel Caticha

The thermodynamic basis of classical mechanics is presented. In this framework, ideal Newtonian mechanics emerges as the zero-dissipation limit of a more general, dissipative theory. The thermodynamic approach predicts a novel dissipative…

Classical Physics · Physics 2026-03-17 Peter Ván