N/v -limit for Langevin Dynamics in Continuum

نویسندگان

  • FLORIAN CONRAD
  • MARTIN GROTHAUS
چکیده

We construct an infinite particle/infinite volume Langevin dynamics on the space of configurations in R having velocities as marks. The construction is done via a limiting procedure using N-particle dynamics in cubes (−λ, λ] with periodic boundary conditions. A main step to this result is to derive an (improved) Ruelle bound for the canonical correlation functions of N-particle systems in (−λ, λ] with periodic boundary conditions. After proving tightness of the laws of finite particle dynamics, the identification of accumulation points as martingale solutions of the Langevin equation is based on a general study of properties of measures on configuration space (and their weak limit) fulfilling a uniform Ruelle bound. Additionally, we prove that the initial/invariant distribution of the constructed dynamics is a tempered grand canonical Gibbs measure. All proofs work for general repulsive interaction potentials φ of Ruelle type (e.g. the Lennard-Jones potential) and all temperatures, densities and dimensions d ≥ 1.

برای دانلود متن کامل این مقاله و بیش از 32 میلیون مقاله دیگر ابتدا ثبت نام کنید

ثبت نام

اگر عضو سایت هستید لطفا وارد حساب کاربری خود شوید

منابع مشابه

Chaos and the continuum limit in charged particle beams

014202-1 We investigate the validity of theVlasov-Poisson equations for calculating properties of systems of N charged particles governed by time-independent Hamiltonians. Through numerical experiments we verify that there is a smooth convergence toward a continuum limit as N ! 1 and the particle charge q ! 0 such that the system charge Q qN remains fixed. However, in real systems N and q are a...

متن کامل

Investigation of Monte Carlo, Molecular Dynamic and Langevin dynamic simulation methods for Albumin- Methanol system and Albumin-Water system

Serum Albumin is the most aboundant protein in blood plasma. Its two major roles aremaintaining osmotic pressure and depositing and transporting compounds. In this paper,Albumin-methanol solution simulation is carried out by three techniques including MonteCarlo (MC), Molecular Dynamic (MD) and Langevin Dynamic (LD) simulations. Byinvestigating energy changes by time and temperature (between 27...

متن کامل

Gyration Radius and Energy Study at Different Temperatures for Acetylcholine Receptor Protein in Gas Phase by Monte Carlo, Molecular and Langevin Dynamics Simulations

The determination of gyration radius is a strong research for configuration of a Macromolecule. Italso reflects molecular compactness shape. In this work, to characterize the behavior of theprotein, we observe quantities such as the radius of gyration and the average energy. We studiedthe changes of these factors as a function of temperature for Acetylcholine receptor protein in gasphase with n...

متن کامل

Energy study at different solvents for potassium Channel Protein by Monte Carlo, Molecular and Langevin Dynamics Simulations

Potassium Channels allow potassium flux and are essential for the generation of electric current acrossexcitable membranes. Potassium Channels are also the targets of various intracellular controlmechanisms; such that the suboptimal regulation of channel function might be related to pathologicalconditions. Realistic studies of ion current in biologic channels present a major challenge for compu...

متن کامل

A combined quasi-continuum/Langevin equation approach to study the self-diffusion dynamics of confined fluids.

In this work, we combine our earlier proposed empirical potential based quasi-continuum theory, (EQT) [A. V. Raghunathan, J. H. Park, and N. R. Aluru, J. Chem. Phys. 127, 174701 (2007)], which is a coarse-grained multiscale framework to predict the static structure of confined fluids, with a phenomenological Langevin equation to simulate the dynamics of confined fluids in thermal equilibrium. A...

متن کامل

ذخیره در منابع من


  با ذخیره ی این منبع در منابع من، دسترسی به آن را برای استفاده های بعدی آسان تر کنید

برای دانلود متن کامل این مقاله و بیش از 32 میلیون مقاله دیگر ابتدا ثبت نام کنید

ثبت نام

اگر عضو سایت هستید لطفا وارد حساب کاربری خود شوید

عنوان ژورنال:

دوره   شماره 

صفحات  -

تاریخ انتشار 2008