Search results for "non-equilibrium thermodynamics"
showing 10 items of 122 documents
Floquet states in dissipative open quantum systems
2019
Abstract We theoretically investigate basic properties of nonequilibrium steady states of periodically-driven open quantum systems based on the full solution of the Maxwell–Bloch equation. In a resonant driving condition, we find that the transverse relaxation, also known as decoherence, significantly destructs the formation of Floquet states while the longitudinal relaxation does not directly affect it. Furthermore, by evaluating the quasienergy spectrum of the nonequilibrium steady states, we demonstrate that Rabi splitting can be observed as long as the decoherence time is as short as one third of the Rabi-cycle. Moreover, we find that Floquet states can be formed even under significant …
Breakdown of weak-turbulence and nonlinear wave condensation
2009
Abstract The formation of a large-scale coherent structure (a condensate) as a result of the long time evolution of the initial value problem of a classical partial differential nonlinear wave equation is considered. We consider the nonintegrable and unforced defocusing NonLinear Schrodinger (NLS) equation as a representative model. In spite of the formal reversibility of the NLS equation, the nonlinear wave exhibits an irreversible evolution towards a thermodynamic equilibrium state. The equilibrium state is characterized by a homogeneous solution (condensate), with small-scale fluctuations superposed (uncondensed particles), which store the information necessary for “time reversal”. We an…
Self-consistent GW calculations of electronic transport in thiol- and amine-linked molecular junctions
2011
The electronic conductance of a benzene molecule connected to gold electrodes via thiol, thiolate, or amino anchoring groups is calculated using nonequilibrium Green functions in combination with the fully self-consistent GW approximation for exchange and correlation. The calculated conductance of benzenedithiol and benzenediamine is one-fifth that predicted by standard density functional theory (DFT), in very good agreement with experiments. In contrast, the widely studied benzenedithiolate structure is found to have a significantly higher conductance due to the unsaturated sulfur bonds. These findings suggest that more complex gold-thiolate structures where the thiolate anchors are chemic…
Dynamical Casimir-Polder force between an excited atom and a conducting wall
2016
We consider the dynamical atom-surface Casimir-Polder force in the non-equilibrium configuration of an atom near a perfectly conducting wall, initially prepared in an excited state with the field in its vacuum state. We evaluate the time-dependent Casimir-Polder force on the atom, and find that it shows an oscillatory behavior from attractive to repulsive both in time and in space. We also investigate the asymptotic behavior in time of the dynamical force and of related local field quantities, showing that the static value of the force, as obtained by a time-independent approach, is recovered for times much larger than the timescale of the atomic self-dressing, but smaller than the atomic d…
Equilibrium and nonequilibrium many-body perturbation theory: a unified framework based on the Martin-Schwinger hierarchy
2013
We present a unified framework for equilibrium and nonequilibrium many-body perturbation theory. The most general nonequilibrium many-body theory valid for general initial states is based on a time-contour originally introduced by Konstantinov and Perel'. The various other well-known formalisms of Keldysh, Matsubara and the zero-temperature formalism are then derived as special cases that arise under different assumptions. We further present a single simple proof of Wick's theorem that is at the same time valid in all these flavors of many-body theory. It arises simply as a solution of the equations of the Martin-Schwinger hierarchy for the noninteracting many-particle Green's function with…
Strong thermal nonequilibrium in hypersonic CO and CH4 probed by CRDS
2015
A new experimental setup coupling a High Enthalpy Source (HES) reaching 2000 K to a cw-cavity ring-down spectrometer has been developed to investigate rotationally cold hot bands of polyatomic molecules in the [1.5, 1.7] μm region. The rotational and vibrational molecular degrees of freedom are strongly decoupled in the hypersonic expansion produced by the HES and probed by cavity ring-down spectroscopy. Carbon monoxide has been used as a first test molecule to validate the experimental approach. Its expansion in argon led to rotational and vibrational temperatures of 6.7 ± 0.8 K and 2006 ± 476 K, respectively. The tetradecad polyad of methane (1.67 μm) was investigated under similar condit…
Pattern Formation Kinetics for Charged Molecules on Surfaces: Microscopic Correlation Function Analysis
2011
The kinetics of pattern formation and phase separation in a system of two types of oppositely charged molecules with competing short- and long-range interactions on surfaces/interfaces is studied combining three methods: a microscopic formalism of the joint correlation functions, reverse Monte Carlo, and nonequilibrium charge-screening factors. The molecular ordering occurs on the background of the Ostwald ripening and thus is strongly nonequilibrium. We have demonstrated how initial random distribution of molecules is changed for loose similar-molecule aggregates, with further reorganization into dense macroscopic domains of oppositely charged molecules. Pattern formation process is charac…
The Surface of Ice under Equilibrium and Nonequilibrium Conditions
2019
ConspectusThe ice premelt, often called the quasi-liquid layer (QLL), is key for the lubrication of ice, gas uptake by ice, and growth of aerosols. Despite its apparent importance, in-depth understanding of the ice premelt from the microscopic to the macroscopic scale has not been gained. By reviewing data obtained using molecular dynamics (MD) simulations, sum-frequency generation (SFG) spectroscopy, and laser confocal differential interference contrast microscopy (LCM-DIM), we provide a unified view of the experimentally observed variation in quasi-liquid (QL) states. In particular, we disentangle three distinct types of QL states of disordered layers, QL-droplet, and QL-film and discuss…
Harnessing Orbital-to-Spin Conversion of Interfacial Orbital Currents for Efficient Spin-Orbit Torques.
2020
The system generates two errors of "Bad character(s) in field Abstract" for no reason. Please refer to the manuscript for the full abstract.
Evaporation-induced assembly of colloidal crystals
2018
Colloidal crystals are often prepared by evaporation from solution, and there is considerable interest to link the processing conditions to the crystal morphology and quality. Here, we study the evaporation-induced assembly of colloidal crystals using massive-scale nonequilibrium molecular dynamics simulations. We apply a recently developed machine-learning technique to characterize the assembling crystal structures with unprecedented microscopic detail. In agreement with previous experiments and simulations, faster evaporation rates lead to earlier onset of crystallization and more disordered surface structures. Surprisingly, we find that collective rearrangements of the bulk crystal durin…