scholarly journals Multiple reactions and trace species in the Direct Simulation Monte Carlo Macroscopic Chemistry Method

2007 ◽  
Vol 19 (11) ◽  
pp. 116102 ◽  
Author(s):  
M. J. Goldsworthy ◽  
M. N. Macrossan ◽  
M. M. Abdel-Jawad
Keyword(s):  
Monte Carlo ◽  
Direct Simulation Monte Carlo ◽  
Direct Simulation ◽  
Chemistry Method ◽  
Trace Species ◽  
Multiple Reactions ◽  
Simulation Monte Carlo

Numerical Methods for the Kinetic Theory of Fluids

2018 ◽  
Author(s):  
Sauro Succi
Keyword(s):  
Molecular Dynamics ◽  
Monte Carlo ◽  
Numerical Methods ◽  
Kinetic Theory ◽  
Computational Efficiency ◽  
Lattice Boltzmann ◽  
Direct Simulation Monte Carlo ◽  
Particle Methods ◽  
Direct Simulation ◽  
Simulation Monte Carlo

This chapter provides a bird’s eye view of the main numerical particle methods used in the kinetic theory of fluids, the main purpose being of locating Lattice Boltzmann in the broader context of computational kinetic theory. The leading numerical methods for dense and rarified fluids are Molecular Dynamics (MD) and Direct Simulation Monte Carlo (DSMC), respectively. These methods date of the mid 50s and 60s, respectively, and, ever since, they have undergone a series of impressive developments and refinements which have turned them in major tools of investigation, discovery and design. However, they are both very demanding on computational grounds, which motivates a ceaseless demand for new and improved variants aimed at enhancing their computational efficiency without losing physical fidelity and vice versa, enhance their physical fidelity without compromising computational viability.

Study on the Deposition Profile Characteristics in the Micron-Scale Trench Using Direct Simulation Monte Carlo Method

1998 ◽  
Vol 120 (2) ◽  
pp. 296-302 ◽  
Author(s):  
Masato Ikegawa ◽  
Jun’ichi Kobayashi ◽  
Morihisa Maruko
Keyword(s):  
Monte Carlo ◽  
Monte Carlo Method ◽  
Boundary Conditions ◽  
Gas Flow ◽  
Direct Simulation Monte Carlo ◽  
Low Pressure ◽  
Sputter Deposition ◽  
Direct Simulation ◽  
Simulation Monte Carlo ◽  
Profile Characteristics

As integrated circuits are advancing toward smaller device features, step-coverage in submicron trenches and holes in thin film deposition are becoming of concern. Deposition consists of gas flow in the vapor phase and film growth in the solid phase. A deposition profile simulator using the direct simulation Monte Carlo method has been developed to investigate deposition profile characteristics on small trenches which have nearly the same dimension as the mean free path of molecules. This simulator can be applied to several deposition processes such as sputter deposition, and atmospheric- or low-pressure chemical vapor deposition. In the case of low-pressure processes such as sputter deposition, upstream boundary conditions of the trenches can be calculated by means of rarefied gas flow analysis in the reactor. The effects of upstream boundary conditions, molecular collisions, sticking coefficients, and surface migration on deposition profiles in the trenches were clarified.

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