Particles in Contact by Unknown

Author:Unknown
Language: eng
Format: epub
ISBN: 9783030158996
Publisher: Springer International Publishing

Density functional theory

Molecular dynamics

Discrete element method

Simulated entity

Electrons

Atoms

Particles

Simulation time per particle for 1 ns (1 CPU)

Years

Hours

Milliseconds–seconds

Reasonable number of particles

<1

<10

Millions

Simulation input

Exchange-correlation functionals and atomic pseudopotentials

Force fields

Contact models

Adhesion Model

Adhesion Between Nanoparticles

The most important difference between contact models at the nanometer and micrometer scales is the implementation of adhesion forces. These forces become more important due to the low mass of nanoparticles, which decreases the influence of body forces, such as inertia and gravity.

Van der Waals forces between two spherical particles with radius Rp are commonly described by Eq. 1 [19, 20].

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