Results of Molecular Dynamics Calculations

Urbassek, Herbert M.

doi:10.1007/978-3-540-44502-9_4

Cited by 21 publications

(26 citation statements)

References 226 publications

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“…The effects of species impacting with a distribution of energies and angle of impact can be treated with the obvious extensions. As Urbassek [2007] points out in a recent review of MD used for sputtering simulation, the first use of MD to simulate radiation damage in metals appeared only 3 years after the 1957 paper by Alder et al [Gibson et al, 1960] Sputtering is the process of eroding a surface by impacting energetic species, leading to the ejection of surface atoms. It was observed in the earliest studies of gas discharges [e.g.…”

Section: Introduction To MD For Plasma-surface Interaction Studiesmentioning

confidence: 99%

Molecular dynamics for low temperature plasma–surface interaction studies

Graves¹,

Brault²

2009

J. Phys. D: Appl. Phys.

135

125

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Section: Introduction To MD For Plasma-surface Interaction Studiesmentioning

confidence: 99%

Molecular dynamics for low temperature plasma–surface interaction studies

Graves¹,

Brault²

2009

J. Phys. D: Appl. Phys.

135

125

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“…1,15-17 A key feature is that the kinetic energy of each incident particle in the cluster is equal to the total energy of the cluster divided by the number of atoms. For 20 keV C 60 , for example, each C atom imparts only 333 eV into the solid.…”

mentioning

confidence: 99%

Fluid Flow and Effusive Desorption: Dominant Mechanisms of Energy Dissipation after Energetic Cluster Bombardment of Molecular Solids

Brenes

Garrison

Winograd

et al. 2011

J. Phys. Chem. Lett.

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The angular distribution of intact organic molecules desorbed by energetic C60 primary ions was probed both experimentally and with molecular dynamics computer simulations. For benzo[a]pyrene, the angular distribution of intact molecules is observed to peak at off-normal angles. Molecular dynamics computer simulations on a similar system show the mechanism of desorption involves fast deposition of energy followed by fluid-flow and effusive-type emission of intact molecules. The off-normal peak in the angular distribution is shown to arise from emission of intact molecules from the rim of a crater formed during the cluster impact. This signature is unique for molecules because fragmentation processes remove molecules that would otherwise eject at directions near-normal to the surface.

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“…It is assumed that the behavior of the relative mass accuracy of C X H Y fragment ions is caused by a kinetic energy distribution. Secondary ions have the kinetic energy distribution depending on secondary ion species . The kinetic energy dependence on the cluster size has been explained by the collision cascade model of the static SIMS .…”

Section: Resultsmentioning

confidence: 99%

Mass‐scale calibration of TOF‐SIMS spectra using quaternary ammonium ions

Kobayashi

Otomo

Aoyagi

et al. 2014

Surface & Interface Analysis

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A novel method with quaternary ammonium salts as internal additives has been applied to the mass-scale calibration of timeof-flight secondary ion mass spectrometry (TOF-SIMS). Five kinds of quaternary ammonium salts, octyltrimethylammonium bromide (C8TMA), tetradecyltrimethylammonium chloride (C14TMA), octadecyltrimethylammonium chloride (C18TMA), cetylpyridinium chloride (CPC) and benzyldimethyltetradecylammonium chloride (Bzl) were diluted with NH 3 aqueous solution and were mixed in equal quantities. The mixed solution was covered on a Si wafer and was measured by TOF-SIMS. When molecular ions of C8TMA, C14TMA, and C18TMA were used for the mass-scale calibration, the relative mass accuracy of lowmass C X H Y fragment ions indicated negative values and depended on the carbon chain length and the degree of unsaturation. This result means that the conventional mass-scale calibration with frequently employed low-mass C X H Y fragment ions leads to degradation of the mass accuracy of high-mass molecular ions. To improve the mass accuracy of molecular ions of CPC and Bzl, ions should be selected for the mass-scale calibration in the following two ways: One way is for ions to consist only of molecular ions of C8TMA, C14TMA, and C18TMA, and the other way is for ions to include one of the molecular ions: C8TMA, C14TMA, and C18TMA, along with the C X H Y fragment ions. This novel mass-scale calibration method is promising for realizing the correct identification of unknown high-mass molecular ions. Those quaternary ammonium salts are powerful candidates of internal additives.

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Results of Molecular Dynamics Calculations

Cited by 21 publications

References 226 publications

Molecular dynamics for low temperature plasma–surface interaction studies

Molecular dynamics for low temperature plasma–surface interaction studies

Fluid Flow and Effusive Desorption: Dominant Mechanisms of Energy Dissipation after Energetic Cluster Bombardment of Molecular Solids

Mass‐scale calibration of TOF‐SIMS spectra using quaternary ammonium ions

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