Quantification of evaporation induced error in atom probe tomography using molecular dynamics simulation.
Ultramicroscopy
; 182: 28-35, 2017 11.
Article
en En
| MEDLINE
| ID: mdl-28646673
ABSTRACT
Non-equilibrium molecular dynamics was used to simulate the dynamics of atoms at the atom probe surface and five objective functions were used to quantify errors. The results suggested that before ionization, thermal vibration and collision caused the atoms to displace up to 1Å and 25Å respectively. The average atom displacements were found to vary between 0.2 and 0.5Å. About 9 to 17% of the atoms were affected by collision. Due to the effects of collision and ion-ion repulsion, the back-calculated positions were on average 0.3-0.5Å different from the pre-ionized positions of the atoms when the number of ions generated per pulse was minimal. This difference could increase up to 8-10Å when 1.5ion/nm2 were evaporated per pulse. On the basis of the results, surface ion density was considered an important factor that needed to be controlled to minimize error in the evaporation process.
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Colección:
01-internacional
Base de datos:
MEDLINE
Idioma:
En
Revista:
Ultramicroscopy
Año:
2017
Tipo del documento:
Article
País de afiliación:
Australia