Publication

Molecular-dynamics study of collision, implantation, and fragmentation of Ag7 on Pd(100)

Christian Felix
1996
Journal Articles

Abstract

By using embedded-atom-method interatomic potentials and molecular-dynamics simulations, we study the collision of a single Ag/sub 7/ cluster on the Pd(100) substrate, at impact energies in the direction perpendicular to the (100) surface E/sub 1/=20 eV (2.86 eV/atom) and E/sub 2/=95 eV (13.6 eV/atom). Our results indicate that implantation occurs at both impact energies, but it is more important at E/sub 2/. As opposed to what is shown experimentally, little fragmentation takes place for E/sub 1/, while the calculated cluster fragmentation is in good agreement with the experimental data for E/sub 2/.

Official source

https://infoscience.epfl.ch/entities/publication/7a6a8e9e-1d6a-4f6f-8dce-661627fa1859

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Christian Felix
1996
Journal Articles

Abstract

Official source

https://infoscience.epfl.ch/entities/publication/7a6a8e9e-1d6a-4f6f-8dce-661627fa1859

About this result

Related concepts (28)

Molecular dynamics

Molecular dynamics (MD) is a computer simulation method for analyzing the physical movements of atoms and molecules. The atoms and molecules are allowed to interact for a fixed period of time, giving a view of the dynamic "evolution" of the system. In the most common version, the trajectories of atoms and molecules are determined by numerically solving Newton's equations of motion for a system of interacting particles, where forces between the particles and their potential energies are often calculated using interatomic potentials or molecular mechanical force fields.

Molecular modelling

Molecular modelling encompasses all methods, theoretical and computational, used to model or mimic the behaviour of molecules. The methods are used in the fields of computational chemistry, drug design, computational biology and materials science to study molecular systems ranging from small chemical systems to large biological molecules and material assemblies. The simplest calculations can be performed by hand, but inevitably computers are required to perform molecular modelling of any reasonably sized system.

Atom

An atom is a particle that consists of a nucleus of protons and neutrons surrounded by a cloud of electrons. The atom is the basic particle of the chemical elements, and the chemical elements are distinguished from each other by the number of protons that are in their atoms. For example, any atom that contains 11 protons is sodium, and any atom that contains 29 protons is copper. The number of neutrons defines the isotope of the element. Atoms are extremely small, typically around 100 picometers across.

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Molecular-dynamics study of collision, implantation, and fragmentation of Ag7 on Pd(100)

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