Theory of solute clustering in materials for atom probe

Journal article

Pseudo-binary solute clustering in crystals was modelled analytically using expressions for the site-occupation probabilities that depend on solute concentration, crystallography and nearest-neighbour short-range order. Up to a cluster-size of 10 solute atoms, theoretical random and nonrandom cluster-size distributions were calculated for diamond (Si), simple (Mn), body centred (Fe) and face centred (Al) cubic lattices and the hexagonal close-packed (Mg) lattice. These calculations were then used to generate simulations of atom probe data, by stochastically removing atoms to simulate the effect of detector efficiency. These simulations may be used to determine self-consistent clustering algorithm parameters, measure short range order parameters and recover the effect of detector efficiency on the observed frequency distributions. © 2011 Taylor and Francis.

Authors: Stephenson, LT; Moody, M; Ringer, S

• Publication status: Published
• Journal: PHILOSOPHICAL MAGAZINE
• Volume: 91
• Issue: 17
• Pages: 2200-2215
• Publication date: 2011-01-01
• DOI: 10.1080/14786435.2011.554909
• EISSN: 1478-6443
• ISSN: 1478-6435
• Language: English
• Keywords: short range order; microscopy; atomic clustering; atomistic simulation; tomography; atom probe