Computer Simulation of the Field Evaporation in Tial with Additions of Nb and Comparison with Experimental Results using a New Algorithmic Approach

The formation of an image in a field ion microscope and the field assisted evaporation of the surface atoms from atomic layers are simulated as an aid to tomographic atom probe analysis (TAP). Simulations are done for an gamma-TiAl-phase ordered structure with an L1
₀
unit cell containing various additions of Nb while considering next neighbor binding energies between different partners. Algorithms that explore the vicinity around several species and analyze the degree of order based on TAP results are developed and tested on both experimental and simulated data