Simulation of heterogeneous atom probe tip shapes evolution during field evaporation using a level set method and different evaporation models

Zhijie Xu, Dongsheng Li, Wei Xu, Arun Devaraj, Robert Colby, Suntharampillai Thevuthasan, B. P. Geiser, D. J. Larson

Research output: Contribution to journalArticle

9 Citations (Scopus)

Abstract

In atom probe tomography (APT), accurate reconstruction of the spatial positions of field evaporated ions from measured detector patterns depends upon a correct understanding of the dynamic tip shape evolution and evaporation laws of component atoms. Artifacts in APT reconstructions of heterogeneous materials can be attributed to the assumption of homogeneous evaporation of all the elements in the material in addition to the assumption of a steady state hemispherical dynamic tip shape evolution. A level set method-based specimen shape evolution model is developed in this study to simulate the evaporation of synthetic layered-structured APT tips. The simulation results of the shape evolution by the level set model qualitatively agree with the finite element method and the literature data using the finite difference method. The asymmetric evolving shape predicted by the level set model demonstrates the complex evaporation behavior of heterogeneous tip and the interface curvature can potentially lead to the artifacts in the APT reconstruction of such materials. Compared with other APT simulation methods, the new method provides smoother interface representation with the aid of the intrinsic sub-grid accuracy. Two evaporation models (linear and exponential evaporation laws) are implemented in the level set simulations and the effect of evaporation laws on the tip shape evolution is also presented.

Original languageEnglish
Pages (from-to)106-113
Number of pages8
JournalComputer Physics Communications
Volume189
DOIs
Publication statusPublished - 1 Apr 2015
Externally publishedYes

Fingerprint

Evaporation
evaporation
Tomography
Atoms
probes
tomography
atoms
simulation
artifacts
Finite difference method
finite element method
grids
curvature
Detectors
Finite element method
detectors
Ions
ions

Keywords

  • Atom probe tomography
  • Evaporation model
  • Field evaporation
  • Interface tracking
  • Level set
  • Tip shape evolution

ASJC Scopus subject areas

  • Hardware and Architecture
  • Physics and Astronomy(all)

Cite this

Simulation of heterogeneous atom probe tip shapes evolution during field evaporation using a level set method and different evaporation models. / Xu, Zhijie; Li, Dongsheng; Xu, Wei; Devaraj, Arun; Colby, Robert; Thevuthasan, Suntharampillai; Geiser, B. P.; Larson, D. J.

In: Computer Physics Communications, Vol. 189, 01.04.2015, p. 106-113.

Research output: Contribution to journalArticle

Xu, Zhijie ; Li, Dongsheng ; Xu, Wei ; Devaraj, Arun ; Colby, Robert ; Thevuthasan, Suntharampillai ; Geiser, B. P. ; Larson, D. J. / Simulation of heterogeneous atom probe tip shapes evolution during field evaporation using a level set method and different evaporation models. In: Computer Physics Communications. 2015 ; Vol. 189. pp. 106-113.
@article{d4a112891eb4485cb4ac5ef90aedac41,
title = "Simulation of heterogeneous atom probe tip shapes evolution during field evaporation using a level set method and different evaporation models",
abstract = "In atom probe tomography (APT), accurate reconstruction of the spatial positions of field evaporated ions from measured detector patterns depends upon a correct understanding of the dynamic tip shape evolution and evaporation laws of component atoms. Artifacts in APT reconstructions of heterogeneous materials can be attributed to the assumption of homogeneous evaporation of all the elements in the material in addition to the assumption of a steady state hemispherical dynamic tip shape evolution. A level set method-based specimen shape evolution model is developed in this study to simulate the evaporation of synthetic layered-structured APT tips. The simulation results of the shape evolution by the level set model qualitatively agree with the finite element method and the literature data using the finite difference method. The asymmetric evolving shape predicted by the level set model demonstrates the complex evaporation behavior of heterogeneous tip and the interface curvature can potentially lead to the artifacts in the APT reconstruction of such materials. Compared with other APT simulation methods, the new method provides smoother interface representation with the aid of the intrinsic sub-grid accuracy. Two evaporation models (linear and exponential evaporation laws) are implemented in the level set simulations and the effect of evaporation laws on the tip shape evolution is also presented.",
keywords = "Atom probe tomography, Evaporation model, Field evaporation, Interface tracking, Level set, Tip shape evolution",
author = "Zhijie Xu and Dongsheng Li and Wei Xu and Arun Devaraj and Robert Colby and Suntharampillai Thevuthasan and Geiser, {B. P.} and Larson, {D. J.}",
year = "2015",
month = "4",
day = "1",
doi = "10.1016/j.cpc.2014.12.016",
language = "English",
volume = "189",
pages = "106--113",
journal = "Computer Physics Communications",
issn = "0010-4655",
publisher = "Elsevier",

}

TY - JOUR

T1 - Simulation of heterogeneous atom probe tip shapes evolution during field evaporation using a level set method and different evaporation models

AU - Xu, Zhijie

AU - Li, Dongsheng

AU - Xu, Wei

AU - Devaraj, Arun

AU - Colby, Robert

AU - Thevuthasan, Suntharampillai

AU - Geiser, B. P.

AU - Larson, D. J.

PY - 2015/4/1

Y1 - 2015/4/1

N2 - In atom probe tomography (APT), accurate reconstruction of the spatial positions of field evaporated ions from measured detector patterns depends upon a correct understanding of the dynamic tip shape evolution and evaporation laws of component atoms. Artifacts in APT reconstructions of heterogeneous materials can be attributed to the assumption of homogeneous evaporation of all the elements in the material in addition to the assumption of a steady state hemispherical dynamic tip shape evolution. A level set method-based specimen shape evolution model is developed in this study to simulate the evaporation of synthetic layered-structured APT tips. The simulation results of the shape evolution by the level set model qualitatively agree with the finite element method and the literature data using the finite difference method. The asymmetric evolving shape predicted by the level set model demonstrates the complex evaporation behavior of heterogeneous tip and the interface curvature can potentially lead to the artifacts in the APT reconstruction of such materials. Compared with other APT simulation methods, the new method provides smoother interface representation with the aid of the intrinsic sub-grid accuracy. Two evaporation models (linear and exponential evaporation laws) are implemented in the level set simulations and the effect of evaporation laws on the tip shape evolution is also presented.

AB - In atom probe tomography (APT), accurate reconstruction of the spatial positions of field evaporated ions from measured detector patterns depends upon a correct understanding of the dynamic tip shape evolution and evaporation laws of component atoms. Artifacts in APT reconstructions of heterogeneous materials can be attributed to the assumption of homogeneous evaporation of all the elements in the material in addition to the assumption of a steady state hemispherical dynamic tip shape evolution. A level set method-based specimen shape evolution model is developed in this study to simulate the evaporation of synthetic layered-structured APT tips. The simulation results of the shape evolution by the level set model qualitatively agree with the finite element method and the literature data using the finite difference method. The asymmetric evolving shape predicted by the level set model demonstrates the complex evaporation behavior of heterogeneous tip and the interface curvature can potentially lead to the artifacts in the APT reconstruction of such materials. Compared with other APT simulation methods, the new method provides smoother interface representation with the aid of the intrinsic sub-grid accuracy. Two evaporation models (linear and exponential evaporation laws) are implemented in the level set simulations and the effect of evaporation laws on the tip shape evolution is also presented.

KW - Atom probe tomography

KW - Evaporation model

KW - Field evaporation

KW - Interface tracking

KW - Level set

KW - Tip shape evolution

UR - http://www.scopus.com/inward/record.url?scp=84923007707&partnerID=8YFLogxK

UR - http://www.scopus.com/inward/citedby.url?scp=84923007707&partnerID=8YFLogxK

U2 - 10.1016/j.cpc.2014.12.016

DO - 10.1016/j.cpc.2014.12.016

M3 - Article

VL - 189

SP - 106

EP - 113

JO - Computer Physics Communications

JF - Computer Physics Communications

SN - 0010-4655

ER -