Calculation of relaxation rates from microscopic equations of motion.

Phys Rev E Stat Phys Plasmas Fluids Relat Interdiscip Topics

Department of Physics and Materials Science Institute, University of Oregon, Eugene, Oregon 97403-1274, USA.

Published: May 1999

For classical systems with anharmonic forces, Newton's equations for particle trajectories are nonlinear, while Liouville's equation for the evolution of functions of position and momentum is linear and is solved by constructing a basis of functions in which the Liouvillian is a tridiagonal matrix, which is then diagonalized. For systems that are chaotic in the sense that neighboring trajectories diverge exponentially, the initial conditions determine the solution to Liouville's equation for short times; but for long times, the solutions decay exponentially at rates independent of the initial conditions. These are the relaxation rates of irreversible processes, and they arise in these calculations as the imaginary parts of the frequencies where there are singularities in the analytic continuations of solutions to Liouville's equation. These rates are calculated for two examples: the inverted oscillator, which can be solved both analytically and numerically, and a charged particle in a periodic magnetic field, which can only be solved numerically. In these systems, dissipation arises from traveling-wave solutions to Liouville's equation that couple low and high wave-number modes allowing energy to flow from disturbances that are coherent over large scales to disturbances on ever smaller scales finally becoming incoherent over microscopic scales. These results suggest that dissipation in large scale motion of the system is a consequence of chaos in the small scale motion.

Download full-text PDF

Source
http://dx.doi.org/10.1103/physreve.59.5292DOI Listing

Publication Analysis

Top Keywords

liouville's equation
16
relaxation rates
8
initial conditions
8
solutions liouville's
8
scale motion
8
calculation relaxation
4
rates
4
rates microscopic
4
microscopic equations
4
equations motion
4

Similar Publications

Revisions of the Phenomenological and Statistical Statements of the Second Law of Thermodynamics.

Entropy (Basel)

December 2024

Istituto Nazionale di Alta Matematica (INdAM), 00185 Rome, Italy.

The status of the Second Law of Thermodynamics, even in the 21st century, is not as certain as when Arthur Eddington wrote about it a hundred years ago. It is not only about the truth of this law, but rather about its strict and exhaustive formulation. In the previous article, it was shown that two of the three most famous thermodynamic formulations of the Second Law of Thermodynamics are non-exhaustive.

View Article and Find Full Text PDF

In light of the ponderomotive force, this article focuses on establishing the exact wave structures of the ion sound system. It is the result of non-linear force and affects a charged particle oscillating in an inhomogeneous electromagnetic field. By using the Riemann-Liouville operator, -operator, and Atangana-Baleanu fractional analysis, the examined equation-which consists of the normalized electric field of the Langmuir oscillation and normalized density perturbation-is thoroughly examined.

View Article and Find Full Text PDF

Interplay between classical and quantum dissipation in light-matter dynamics.

J Chem Phys

December 2024

Departamento de Química Inorgánica, Analítica y Química Física/INQUIMAE, Facultad de Ciencias Exactas y Naturales, Universidad de Buenos Aires, Ciudad Autónoma de Buenos Aires, Argentina.

A quantum-electrodynamics approach is presented to describe the dynamics of electrons that exchange energy with both photon and phonon baths. Our ansatz is a dissipative quantum Liouville equation, cast in the Redfield form, with two driving terms associated with radiative and vibrational relaxation mechanisms, respectively. Remarkably, within the radiative contribution, there is a term that exactly replicates the expression derived from a semiclassical treatment where the power dissipated by the electronic density is treated as the emission from a classical dipole [Bustamante et al.

View Article and Find Full Text PDF

Self-consistent approach to the dynamics of excitation energy transfer in multichromophoric systems.

J Chem Phys

November 2024

Faculty of Mathematics and Physics, Charles University, Ke Karlovu 5, 121 16 Prague 2, Czech Republic.

Article Synopsis
  • Researchers have developed approximate methods to study exciton transport in molecular aggregates influenced by structured environments, moving beyond basic models that often become complex and hard to manage.
  • They introduced a self-consistent Born approximation to better accommodate exciton-environment interactions and improve calculations of energy transfer dynamics in these systems.
  • Their findings indicate that this new approach aligns well with more comprehensive models across various conditions, suggesting it effectively describes exciton behavior even in complex scenarios like the Fenna-Matthews-Olson complex.
View Article and Find Full Text PDF

O NMR methods are emerging as a powerful tool for determination of structure and dynamics in materials and biological solids. We present experimental and theoretical frameworks for measurements of O NMR relaxation times in static solids focusing on the excitation of the central transition of the O spin 5/2 system. We employ O-enriched NaNO as a model compound, in which the nitrate oxygen atoms undergo 3-fold jumps.

View Article and Find Full Text PDF

Want AI Summaries of new PubMed Abstracts delivered to your In-box?

Enter search terms and have AI summaries delivered each week - change queries or unsubscribe any time!