Numerical Simulation of Capillary Flows Through Molecular Dynamics

2009 ◽  
Author(s):  
Salvatore Iacono
Keyword(s):  
Numerical Simulation ◽  
Molecular Dynamics ◽  
Capillary Flows

Simulation Study of Granular Compaction Dynamics under Vertical Tapping

2007 ◽  
Vol 555 ◽  
pp. 107-112 ◽  
Author(s):  
D. Arsenović ◽  
S.B. Vrhovac ◽  
Z.M. Jakšić ◽  
Lj. Budinski-Petković ◽  
A. Belić
Keyword(s):  
Numerical Simulation ◽  
Molecular Dynamics ◽  
Friction Coefficient ◽  
Simulation Study ◽  
Material Properties ◽  
Two Dimensions ◽  
Second Phase ◽  
Hard Disks ◽  
Compaction Process ◽  
Granular Compaction

We study by numerical simulation the compaction dynamics of frictional hard disks in two dimensions, subjected to vertical shaking. Shaking is modeled by a series of vertical expansions of the disk packing, followed by dynamical recompression of the assembly under the action of gravity. The second phase of the shake cycle is based on an efficient event−driven molecular−dynamics algorithm. We analyze the compaction dynamics for various values of friction coefficient and coefficient of normal restitution. We find that the time evolution of the density is described by ρ(t)=ρ∞ − ρEα[−(t/τ)α], where Eα denotes the Mittag−Leffler function of order 0<α<1. The parameter τ is found to decay with tapping intensity Γ according to a power law τ ∝ Γ−γ , where parameter γ is almost independent of the material properties of grains. Also, an expression for the grain mobility during compaction process has been obtained.

Molecular dynamics by numerical simulation in zeolites: Methane in NaA

1989 ◽  
Vol 90 (12) ◽  
pp. 7482-7491 ◽  
Author(s):  
E. Cohen De Lara ◽  
R. Kahn ◽  
A. M. Goulay
Keyword(s):  
Numerical Simulation ◽  
Molecular Dynamics

Based on the Molecular Dynamics of Particles in Micro Grinding Numerical Simulation

2016 ◽  
Vol 13 (11) ◽  
pp. 8652-8657 ◽  
Author(s):  
Jun-Ye Li ◽  
Wang Bin-Yu ◽  
Xing-Hua Wang ◽  
Xin-Ming Zhang
Keyword(s):  
Numerical Simulation ◽  
Molecular Dynamics ◽  
Dynamics Of Particles

Hybrid-molecular-dynamics algorithms for the numerical simulation of quantum chromodynamics

1987 ◽  
Vol 35 (8) ◽  
pp. 2531-2542 ◽  
Author(s):  
Steven Gottlieb ◽  
W. Liu ◽  
D. Toussaint ◽  
R. L. Renken ◽  
R. L. Sugar
Keyword(s):  
Numerical Simulation ◽  
Molecular Dynamics ◽  
Quantum Chromodynamics

Kinetic Path to Fluid Dynamics in Membranes

2002 ◽  
Vol 752 ◽  
Author(s):  
A. ten Bosch
Keyword(s):  
Fluid Dynamics ◽  
Numerical Simulation ◽  
Molecular Dynamics ◽  
Atomic Scale ◽  
Small Scale ◽  
Pressure Tensor ◽  
Interparticle Interactions ◽  
Membrane Processes ◽  
Average System ◽  
System Properties

ABSTRACTAtomic scale dynamic theories and numerical simulation can explore atomistic processes but the relevant physics must fold atomistic understanding into a mesoscopic formulation in terms of average system properties. Transport equations for the density(or concentration), the flux and the pressure tensor are derived from a microscopic basis which mimics simulation by molecular dynamics. The validity of classical hydrodynamics is explored. The method includes interparticle interactions and small scale variations in time and space of relevance to modeling of membrane processes.

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