Structural dependence of threshold displacement energies in rutile, anatase and brookite TiO2
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[1] G. G. Stokes. "J." , 1890, The New Yale Book of Quotations.
[2] R S Pease,et al. REVIEW ARTICLES: The Displacement of Atoms in Solids by Radiation , 1955 .
[3] M. Robinson,et al. A proposed method of calculating displacement dose rates , 1975 .
[4] A. E. Ringwood,et al. Immobilisation of high level nuclear reactor wastes in SYNROC , 1979, Nature.
[5] D. D. Richardson. Computer simulation of threshold radiation damage in rutile, Tio2 , 1983 .
[6] J. Ziegler. The stopping and range of ions in solids vol 1 : The stopping and ranges of ions in matter , 2013 .
[7] Masanori Matsui,et al. Molecular Dynamics Simulation of the Structural and Physical Properties of the Four Polymorphs of TiO2 , 1991 .
[8] E. Buck. Effects of electron irradiation of rutile , 1995 .
[9] G. Henkelman,et al. Improved tangent estimate in the nudged elastic band method for finding minimum energy paths and saddle points , 2000 .
[10] G. Henkelman,et al. A climbing image nudged elastic band method for finding saddle points and minimum energy paths , 2000 .
[11] Lorenzo Malerba,et al. Simulation of radiation damage in Fe alloys: an object kinetic Monte Carlo approach , 2004 .
[12] B. Uberuaga,et al. Dynamical simulations of radiation damage in magnesium aluminate spinel, MgAl2O4 , 2005 .
[13] N. Marks,et al. Threshold displacement energies in rutile TiO2: A molecular dynamics simulation study , 2005 .
[14] Katherine L. Smith,et al. The displacement energies of cations in perovskite (CaTiO3) , 2005 .
[15] Martin T. Dove,et al. DL_POLY_3: new dimensions in molecular dynamics simulations via massive parallelism , 2006 .
[16] J. Wallenius,et al. Molecular dynamics simulations of threshold displacement energies in Fe , 2006 .
[17] N. Marks,et al. Defects and threshold displacement energies in SrTiO3 perovskite using atomistic computer simulations , 2007 .
[18] Graeme Henkelman,et al. Adaptive kinetic Monte Carlo for first-principles accelerated dynamics. , 2008, The Journal of chemical physics.
[19] Y. Filinchuk,et al. Tetrahedra system Cu4 OCl6 daca4: High-temperature manifold of molecular configurations governing low-temperature properties , 2008, 0801.1507.
[20] Katherine L. Smith,et al. Thermal spike recrystallisation: Molecular dynamics simulation of radiation damage in polymorphs of titania , 2008 .
[21] Nigel A. Marks,et al. Experimental and atomistic modeling study of ion irradiation damage in thin crystals of theTiO2polymorphs , 2008 .
[22] J. Ziegler,et al. SRIM – The stopping and range of ions in matter (2010) , 2010 .
[23] B. Uberuaga,et al. Defects in rutile and anatase polymorphs of TiO2: kinetics and thermodynamics near grain boundaries , 2011, Journal of physics. Condensed matter : an Institute of Physics journal.
[24] Normand Mousseau,et al. Kinetic activation-relaxation technique. , 2011, Physical review. E, Statistical, nonlinear, and soft matter physics.
[25] M. Baenitz,et al. Field-tuned critical fluctuations in YFe2Al10: Evidence from magnetization, 27Al NMR, and NQR investigations , 2012, 1210.0326.
[26] N. Marks,et al. Systematic calculation of threshold displacement energies: Case study in rutile , 2012 .
[27] R. Stoller,et al. Self-evolving atomistic kinetic Monte Carlo: fundamentals and applications , 2012, Journal of physics. Condensed matter : an Institute of Physics journal.
[28] N. Marks,et al. Density and structural effects in the radiation tolerance of TiO₂ polymorphs. , 2013, Journal of physics. Condensed matter : an Institute of Physics journal.