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Accurate three dimensional reconstructions of atomic positions, and fullquantification of the information contained in atom probe tomography datarelies on understanding the physical processes taking place during fieldevaporation of atoms from needle-shaped specimens. However, the modelingframework for atom probe tomography has remained qualitative at best. Buildingon the continuum field models previously developed, we introduce a morephysical approach with the selection of evaporation events based on densityfunctional theory calculations. This new model reproduces key features observedexperimentally in terms of sequence of evaporation, desorption maps, and depthresolution, and provides insights into the physical limit for spatialresolution.

Effects of the local structure dependence of evaporation fields on field evaporation behavior