Algorithms for molecular dynamics simulations of keV particle bombardment
نویسندگان
چکیده
منابع مشابه
Molecular Dynamics Simulation Study of Molecular Ejection Mechanisms: keV Particle Bombardment of C6H6/Ag{111}
Molecular dynamics simulations have been performed to gain microscopic insight into the factors that lead to molecular ejection after ion bombardment of an organic overlayer on a metal surface. The specific system modeled is benzene (C6H6) adsorbed on Ag{111}. The kinetic energy and angular distributions of C6H6 molecules obtained from the simulations match well with the experimentally measured...
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Molecular dynamics simulations of the sputtering of Si by keV C60 bombardment have been performed as a function of incident kinetic energy at two incident angles, normal incidence and 45 . Nearly all of the C atoms remain embedded in the surface after bombardment because the C atoms from the projectile form strong covalent bonds with the Si atoms in the target. At low incident kinetic energies,...
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In this contribution the emission of gold-molecule cluster ions from self-assembled monolayers (SAMs) of alkanethiols on gold is investigated using time-of-flight secondary ion mass spectrometry (ToF-SIMS). Layers of alkanethiols [CH3(CH2)nSH] with various chain lengths (n 1⁄4 8, 12, 16) have been chosen because they form well-ordered molecular monolayers on gold. First, we compare and interpre...
متن کاملAlgorithms for Molecular Dynamics Simulations
ix List of Publications . . . . . . . . . . . . . . . . . . . . . . . . . . . . xi Related Publications . . . . . . . . . . . . . . . . . . . . . . . . . . . xii
متن کاملMolecular dynamics simulations to explore the role of mass matching in the keV bombardment of organic films with polyatomic projectiles
Molecular dynamics simulations of the bombardment of a organic film on a gold substrate with Au and Au2 projectiles have been performed in order to understand the role of mass matching in the mechanisms for energy transfer. There will be an effective energy transfer from the projectile to the substrate atoms if the atom impacts the substrate unimpeded by molecules in the organic film. When a pr...
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ژورنال
عنوان ژورنال: Computers in Physics
سال: 1989
ISSN: 0894-1866
DOI: 10.1063/1.168349