Electron-diffraction structure refinement of Ni4Ti3 precipitates in Ni52Ti48.
The atomic coordinates of the crystal structure of nanoscale Ni4Ti3 precipitates in Ni-rich NiTi is refined by means of a least-squares method based on intensity measures of electron-diffraction patterns. The optimization is performed in combination with density functional theory calculations and has yielded an R\bar 3 symmetry with slightly different atomic positions when compared with the existing structure. The new unit cell offers a better understanding of the lattice deformation from the B2 matrix.
Tirry
Wim
W
Electron Microscopy for Materials Science (EMAT), University of Antwerp (UA), Groenenborgerlaan 171, B-2020 Antwerp, Belgium. wim.tirry@ua.ac.be
Schryvers
Dominique
D
Jorissen
Kevin
K
Lamoen
Dirk
D
D000497:Alloys / Q000737:chemistry*; D003461:Crystallography; D004583:Electrons; D046529:Microscopy, Electron, Transmission; D008956:Models, Chemical; D009532:Nickel / Q000737:chemistry*; D010316:Particle Size; D011789:Quantum Theory; D012680:Sensitivity and Specificity; D014025:Titanium / Q000737:chemistry*
D000497:Alloys; D009532:Nickel; D014025:Titanium