Abstracts

Chemicals, plastics and rubber industries

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Substrate-assisted laser-initiated ejection of proteins embedded in water films

Article Abstract:

An investigation is carried out in this study on the laser-initiated liftoff of the protein enkephalin embedded in a H2O film onto a gold substrate. This is done with the help of the molecular dynamics simulations method and the results show that large clusters of the H2O molecules are ejected from the film entraining the enkephalin molecule away from the metal surface.

Proteins

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Particle-induced desorption of kilodalton molecules embedded in a matrix: a molecular dynamics study

Article Abstract:

This study investigates the novel sample preparation routes in order to improve the performance of static secondary ion mass spectrometry for the analysis of organic samples. This theory, coupled with experimental observations, provides new areas of improvement in the molecular desorption.

Molecules

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Microscopic insights into the sputtering of Ag{111} induced by C60 and Ga bombardment

Article Abstract:

The differences in the mechanism of sputtering of Ag{111} by kiloelectronvolt Ga and C60 projectiles are compared using molecular dynamics computer simulations. An appropriate system is developed to compare the behavior of atomic bombardment and C60 bombardment.

Simulation methods, Simulation, Atoms

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