Related papers: Local temperature measurement in molecular dynamic…
Laser ablation is often explained by a two-temperature model (TTM) with different electron and lattice temperatures. To realize a classical molecular dynamics simulation of the TTM, we propose an extension of the embedded atom method to…
Thermodynamics relies on the possibility to describe systems composed of a large number of constituents in terms of few macroscopic variables. Its foundations are rooted into the paradigm of statistical mechanics, where thermal properties…
We derive an equation for the cooling dynamics of the quantum motion of an atom trapped by an external potential inside an optical resonator. This equation has broad validity and allows us to identify novel regimes where the motion can be…
The structural evolution of laser-excited systems of gold has previously been measured through ultrafast MeV electron diffraction. However, there has been a long-standing inability of atomistic simulations to provide a consistent picture of…
We use recently introduced three-point dynamic susceptibilities to obtain an experimental determination of the temperature evolution of the number of molecules, N_corr, that are dynamically correlated during the structural relaxation of…
We propose a method to experimentally measure the internal energy of a system of ultracold atoms trapped in optical lattices by coupling them to the fields of two optical cavities. We show that the tunnelling and self-interaction terms of…
Atomic scale simulations at finite temperature are an ideal approach to study the thermodynamic properties of magnetic transition metals. However, the development of interatomic potentials explicitly taking into account magnetic variables…
Generation of equilibrium configurations is the major obstacle for numerical investigation of the slow dynamics in supercooled liquid states. The parallel tempering (PT) technique, originally proposed for the numerical equilibration of…
We are used to measure temperature with a thermometer and we know from everyday life that different types of thermometers measure the same temperature. This experience can be based on equilibrium thermodynamics, which explains the…
Development of the electronic kinetic-energy density functional is a subject of major interest in theoretical physics and chemistry. In this work, the nonlocal kinetic-energy functional is developed in terms of the response function for the…
We establish a setting - atoms in optical superlattices with period 2 - in which one can experimentally probe signatures of the process of local relaxation and apparent thermalization in non-equilibrium dynamics without the need of…
Ultracold Bose gases in one-dimensional optical lattices constitute an important benchmark problem in the study of strongly interacting many-body quantum phases. Here we present a combined experimental and theoretical study of their…
A collisional model of a confined quasi-two-dimensional granular mixture is considered to analyze homogeneous steady states. The model includes an effective mechanism to transfer the kinetic energy injected by vibration in the vertical…
One-dimensional multi-component Fermi or Bose systems with strong zero-range interactions can be described in terms of local exchange coefficients and mapping the problem into a spin model is thus possible. For arbitrary external confining…
Methods for estimating the correlation energy of molecules and other electronic systems are discussed based on the assumption that the correlation energy can be partitioned between atomic regions. In one method, the electron density is…
The breaking of time-reversal symmetry by ferromagnetism is predicted to yield profound changes to the electronic surface states of a topological insulator. Here, we report on a concerted set of structural, magnetic, electrical and…
Although Boltzmann's definition of entropy, and, hence, the existence of negative temperatures, are widely accepted, we will show scenarios which apparently at a first glance are inconsistent with our normal notion of thermodynamics. This…
We report direct observation of the evolution of local temperature inhomogeneity and the resulting atomic migration in a metal film (Ag on Si) stressed by a current by using a Scanning Thermal Microscope that allows simultaneous temperature…
We investigate numerically and analytically size-polydisperse granular mixtures immersed into a molecular gas. We show that the equipartition of granular temperatures of particles of different sizes is established; however, the granular…
We present a method for calculating the kinetic energy of localised functions represented on a regular real space grid. This method uses fast Fourier transforms applied to restricted regions commensurate with the simulation cell and is…