Publications 2010

S. H. Shah and P.D. Bristowe, First principles density functional study of polarization-strain coupling in bismuth titanate , J. Phys. Cond. Matter 22, 385902 (2010).

Publications 2011

C. L. Phillips and P. D. Bristowe, First principles study of ZnO adsorption on stressed metal surfaces, Surf. Sci. 605, 450 (2011)

S. H. Shah and P. D. Bristowe, Ab initio energetics of lanthanum substitution in ferroelectric bismuth titanate, J. Phys. Cond. Matter 23, 155902 (2011)

W. Koerner, P. D. Bristowe and C. Elsaesser, Density functional theory study of stoichiometric and nonstoichiometric ZnO grain boundaries, Phys. Rev. B 84, 045305 (2011)

Publications 2012

I. Toda-Caraballo, P. D. Bristowe, and C. Capderila, A molecular dynamics study of grain boundary free energies, migration mechanics and mobilities in a b.c.c. Fe-20Cr alloy, Acta Materialia 60, 1116 (2012)

B. K. Chang, N. C. Bristowe, P. D. Bristowe and A. K. Cheetham, Van der Waals Forces in the Perfluorinated Metal-Organic Framework Zinc 1,2-bis(4-pyridyl)ethane Tetrafluoroterephthalate, Phys. Chem. Chem. Phys. DOI:10.1039/C2CP23530