Particle simulations, Monte Carlo

Mon K K and Griffiths R B 1985 Chemical potential by gradual insertion of a particle in Monte Carlo simulation Phys. Rev. A 31 956-9... 

Since the middle of the 1990s, another computation method, direct simulation Monte Carlo (DSMC), has been employed in analysis of ultra-thin film gas lubrication problems [13-15]. DSMC is a particle-based simulation scheme suitable to treat rarefied gas flow problems. It was introduced by Bird [16] in the 1970s. It has been proven that a DSMC solution is an equivalent solution of the Boltzmann equation, and the method has been effectively used to solve gas flow problems in aerospace engineering. However, a disadvantageous feature of DSMC is heavy time consumption in computing, compared with the approach by solving the slip-flow or F-K models. This limits its application to two- or three-dimensional gas flow problems in microscale. In the... 

Understanding the dependence of film structure and morphology on system layout and process parameters is a core topic for the further development of ZnO technology. Work is being performed on in situ characterization of deposition processes. Growth processes are simulated using Direct Simulation Monte-Carlo (DSMC) techniques to simulate the gas flow and sputter kinetics simulation and Particle-ln-Cell Monte-Carlo (PICMC) techniques for the plasma simulation [132]. 

J. Feng and E. Ruckenstein Attractive interactions in dispersions of identical charged colloidal particles a Monte-Carlo simulation, JOURNAL OF COLLOID AND INTERFACE SCIENCE 272 (2004) 430-437. 

Attractive interactions in dispersions of identical charged colloidal particles a Monte Carlo simulation... 

Now, let us look at Fig. 13. Here, the static structure factor of a three-dimensional homogeneous suspension of polystyrene spheres of diameter 94 nm is shown. The particles volume fraction is 0 = 2.0 x 10 4. Experimental data from static light scattering (closed circles) are compared with computer simulation (Monte Carlo) results (symbol x) and theoretical predictions (lines) obtained from the Ornstein-Zernike equation and different closure relations. The computer simulations and the theoretical calculations where carried out assuming that the interaction between the... 

Kruis, E. E., Maisels, A. Eissan, H. 2000 Direct simulation Monte Carlo method for particle coagulation and aggregation. AIChE Journal 46,1735-1742. 

Zhao, H., Kruis, F. E. Zheng, C. 2009 Reducing statistical noise and extending the size spectrum by applying weighted simulation particles in Monte Carlo simulation of coagulation. Aerosol Science and Technology 43, 781-793. 

One of the earliest particle-based schemes is the Direct Simulation Monte Carlo (DSMC) method of Bird [126]. In DSMC simulations, particle positions and velocities are continuous variables. The system is divided into cells and pairs of particles in a cell are chosen for collision at times that are determined from a suitable distribution. This method has seen wide use, especially in the rarefied gas dynamics community where complex fluid flows can be simulated. 

Study the PMF between two simple LJ particles by Monte Carlo simulation. This work was recently reviewed by Dill et al. (2005), to which the reader is referred for details. 

Pangali et al. (1979a,b) calculated the PMF between two LJ solute particles (with ctss = 4.12 A and Sss/k = 170.1 K) in water-like particles by Monte Carlo simulation. They found a... 

In microfluid mechanics, the direct simulation Monte Carlo (DSMC) method has been applied to study gas flows in microdevices [2]. DSMC is a simple form of the Monte Carlo method. Bird [3] first applied DSMC to simulate homogeneous gas relaxation problem. The fundamental idea is to track thousands or millions of randomly selected, statistically representative particles and to use their motions and interactions to modify their positions and states appropriately in time. Each simulated particle represents a number of real molecules. Collision pairs of molecule in a small computational cell in physical space are randomly selected based on a probability distribution after each computation time step. In essence, particle motions are modeled deterministically, while collisions are treated statistically. The backbone of DSMC follows directly the classical kinetic theory, and hence the applications of this method are subject to the same limitations as kinetic theory. 

Noncontinuous approach can be deterministic or stochastic. In deterministic approaches, such as the molecular dynamics (MD) method and the lattice Boltzmann method (LBM), the particle or molecule s trajectory, velocity, and intermolecular collision are calculated or simulated in a deterministic manner. In the stochastic approaches, such as the direct simulation Monte Carlo (DSMC) method, randomness is introduced into the solution variables. 

As shown in Figure 26.3, both lattice Boltzmann gas (LBG) [37,38], direct simulation Monte-Carlo (DSM-C) [41], and off-grid particle methods such as DPD [42], and fluid particle method (FPM) [43] can be treated within a common methodological framework. This framework in the mesoscale consists the successive coarse-graining of the underlying molecular dynamics system. We can list its components as ... 

The theoretical methods to investigate the evolution kinetics of ordered microdomain structures are those in the atomic-scale including molecular dynamics simulations, Monte Carlo simulations, dynamic SCFT, dynamic density functional theory (DDFT), and those in the meso-scale including dissipative particle dynamics (DPD) simulations, etc. More details of these approaches can be found in the literatures. 

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