{"bio" ""
 "city" "Darmstadt"
 "country" "DE"
 "department" "Fachbereich Material- und Geowissenschaften"
 "description-of-work" "Our focus is on Tersoff-Brenner-type analytical bond-order potentials, including a variant with charge transfer.\r\n\r\nMaterials\r\nSi \r\nC \r\nSi-C \r\nW \r\nW-C \r\nGa \r\nB \r\nN \r\nAs \r\nGa-As \r\nGa-N \r\nB-N \r\nZn \r\nZn-O \r\nPt \r\nPt-C \r\nFe \r\nFe-Pt \r\n\r\nBibliography\r\nAlbe, Karsten and Nord, J and Nordlund, K : \r\nDynamic charge-transfer bond-order potential for gallium nitride. \r\nPhilos. Mag., 89 (34-36) pp. 3477-3497. (2009) \r\n[Online-Edition: http://www.tandfonline.com/doi/abs/10.1080/14786430903313708] \r\n\r\nMueller, Michael and Erhart, Paul and Albe, Karsten : \r\nThermodynamics of L1(0) ordering in FePt nanoparticles studied by Monte Carlo simulations based on an analytic bond-order potential. \r\nPhys. Rev. B, 76 (15) (2007) \r\n[Online-Edition: http://prb.aps.org/abstract/PRB/v76/i15/e155412] \r\n\r\nMueller, Michael and Erhart, Paul and Albe, Karsten : \r\nAnalytic bond-order potential for bcc and fcc iron - comparison with established embedded-atom method potentials. \r\nJ. Phys.: Condens. Mater., 19 (32) 326220 (2007) \r\n[Online-Edition: http://iopscience.iop.org/0953-8984/19/32/326220/] \r\n\r\nAlbe, Karsten and Erhart, P. and Müller, M. : \r\nAnalytic Interatomic Potentials for Atomic-Scale Simulations of Metals and Metal Compounds: A Brief Overview. \r\nIn: integral Materials Modeling: Towards Physics-Based Through-Process Models (16) pp. 197-206. \r\n[Online-Edition: http://dx.doi.org/10.1002/9783527610983.ch16] \r\n\r\nErhart, Paul and Juslin, Niklas and Goy, Oliver and Nordlund, Kai and Müller, Ralf and Albe, Karsten : \r\nAnalytic bond-order potential for atomistic simulations of zinc oxide. \r\nJournal of Physics: Condensed Matter, 18 (29) pp. 6585-6605 (2006) \r\n[Online-Edition: http://dx.doi.org/10.1088/0953-8984/18/29/003] \r\n\r\nJuslin, N and Erhart, P and Traskelin, P and Nord, J and Henriksson, K O E. and Nordlund, K and Salonen, E and Albe, K : \r\nAnalytical interatomic potential for modeling nonequilibrium processes in the W-C-H system. \r\nJ. Appl. Phys., 98 (12) pp. 123520 (2005) \r\n[Online-Edition: http://jap.aip.org/resource/1/japiau/v98/i12/p123520_s1] \r\n\r\nErhart, P and Albe, K : \r\nAnalytical potential for atomistic simulations of silicon, carbon, and silicon carbide. \r\nIn: Phys. Rev. B, 71 (3) 035211 (2009) \r\n[Online-Edition: http://prb.aps.org/abstract/PRB/v71/i3/e035211] \r\n\r\nNord, J and Albe, K and Erhart, P and Nordlund, K : \r\nModelling of compound semiconductors: analytical bond-order potential for gallium, nitrogen and gallium nitride. \r\nJ. Phys.: Condens. Matter., 15 (32) pp. 5649-5662 (2003) \r\n[Online-Edition: http://iopscience.iop.org/0953-8984/15/32/324/] \r\n\r\nAlbe, K and Nordlund, K and Nord, J and Kuronen, A : \r\nModeling of compound semiconductors: Analytical bond-order potential for Ga, As, and GaAs. \r\nPhys. Rev. B, 66 (3) 035205, (2002) \r\n[Online-Edition: http://prb.aps.org/abstract/PRB/v66/i3/e035205] \r\n\r\nAlbe, K and Nordlund, K and Averback, R S. : \r\nModeling the metal-semiconductor interaction: Analytical bond-order potential for platinum-carbon. \r\nPhys. Rev. B, 65 (19) 195124 (2002) "
 "email" ""
 "first-name" "Karsten"
 "institution" "Fachgebiet Materialmodellierung"
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