Can direct field‐evaporation of doubly charged ions and post‐ionisation from the singly charged state co‐exist?

Ganetsos, Theodore; Mair, A. W. R.; Mair, G L R; Bischoff, L.; Akhmadaliev, Ch.; Aidinis, C. J.

doi:10.1002/sia.2474

Cited by 6 publications

(3 citation statements)

References 18 publications

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“…The process of atom detachment from the surface under high electric fields is extensively debated in field evaporation theory. The models that exist to explain the experimental observation of the atom detachment under the high electric field [16][17][18][19] are based on the generalized approach to give a qualitative description of the interaction of a metal surface with a n-charged ion using a standard potential [13,20]. Such an approach practically cannot guarantee a reliable prediction on the surface breakage for a particular metal.…”

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confidence: 99%

Atomistic modeling of metal surfaces under electric fields: Direct coupling of electric fields to a molecular dynamics algorithm

et al. 2011

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The effect of electric fields on metal surfaces is fairly well studied, resulting in numerous analytical models developed to understand the mechanisms of ionization of surface atoms observed at very high electric fields, as well as the general behavior of a metal surface in this condition. However, the derivation of analytical models does not include explicitly the structural properties of metals, missing the link between the instantaneous effects owing to the applied field and the consequent response observed in the metal surface as a result of an extended application of an electric field. In the present work, we have developed a concurrent electrodynamicmolecular dynamic model for the dynamical simulation of an electric-field effect and subsequent modification of a metal surface in the framework of an atomistic molecular dynamics (MD) approach. The partial charge induced on the surface atoms by the electric field is assessed by applying the classical Gauss law. The electric forces acting on the partially charged surface atoms (Lorentz and Coulomb) are then introduced in the MD algorithm to correct the atomic motion in response to the applied field. The enhancement factor at sharp features on the surface for the electric field and the assessment of atomic charges are discussed. The results obtained by the present model compare well with the experimental and density-functional theory results. Geneva, SwitzerlandFebruary 2011 CLIC -Note -870PHYSICAL REVIEW E 83, 026704 (2011) The effect of electric fields on metal surfaces is fairly well studied, resulting in numerous analytical models developed to understand the mechanisms of ionization of surface atoms observed at very high electric fields, as well as the general behavior of a metal surface in this condition. However, the derivation of analytical models does not include explicitly the structural properties of metals, missing the link between the instantaneous effects owing to the applied field and the consequent response observed in the metal surface as a result of an extended application of an electric field. In the present work, we have developed a concurrent electrodynamicmolecular dynamic model for the dynamical simulation of an electric-field effect and subsequent modification of a metal surface in the framework of an atomistic molecular dynamics (MD) approach. The partial charge induced on the surface atoms by the electric field is assessed by applying the classical Gauss law. The electric forces acting on the partially charged surface atoms (Lorentz and Coulomb) are then introduced in the MD algorithm to correct the atomic motion in response to the applied field. The enhancement factor at sharp features on the surface for the electric field and the assessment of atomic charges are discussed. The results obtained by the present model compare well with the experimental and density-functional theory results.

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Section: Introductionmentioning

confidence: 99%

Atomistic modeling of metal surfaces under electric fields: Direct coupling of electric fields to a molecular dynamics algorithm

et al. 2011

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“…V nm -1 [28] and ~1 V nm -1 [25] respectively for tin. Since the electric field across a typical ~ 0.2 nm gap in our samples can exceed ~50 V nm -1 at the peak ramped voltage (Fig.…”

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confidence: 98%

“…The literature [25,26,28] shows that the electric fields required for EFIE and EFISD are ~26 V nm -1 [28] and ~1 V nm -1 [25] respectively for tin. Since the electric field across a typical ~ 0.2 nm gap in our samples can exceed ~50 V nm -1 at the peak ramped voltage (Fig.…”

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confidence: 99%