158 citations · 288 across the 3 of their papers we have counts for
3 papers
cond-mat.mtrl-sci2007★ 88 cited
Boron in copper: a perfect misfit in the bulk and cohesion enhancer at a grain boundary
A. Y. Lozovoi, A. T. Paxton
Our ab initio study suggests that boron segregation to the Sigma 5(310)[001] grain boundary should strengthen the boundary up to 1.5 ML coverage (15.24 at/nm^2). The maximal effect…
cond-mat.mtrl-sci2007★ 42 cited
Magnetic tight-binding and the iron-chromium enthalpy anomaly
A. T. Paxton, M. W. Finnis
We describe a self consistent magnetic tight-binding theory based in an expansion of the Hohenberg-Kohn density functional to second order, about a non spin polarised reference den…
cond-mat.mtrl-sci2006★ 158 cited
Structural and chemical embrittlement of grain boundaries by impurities: a general theory and first principles calculations for copper
A. Y. Lozovoi, A. T. Paxton, M. W. Finnis
First principles calculations of the Sigma 5 (310)[001] symmetric tilt grain boundary in Cu with Bi, Na, and Ag substitutional impurities provide evidence that in the phenomenon of…