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PUBLICATION LIST FOR JAKOB SCHIØTZ

SCIENTIFIC PAPERS IN INTERNATIONAL JOURNALS
  1. B.S. Clausen, J. Schiøtz, L. Gråbæk, C.V. Ovesen, K.W. Jacobsen, J.K. Nørskov, and H. Topsøe: Wetting/non-wetting phenomena during catalysis: Evidence from in situ on-line EXAFS studies of Cu-based catalysts, Topics in Catal. 1, 367 (1994)
  2. L. Olesen, E. Lægsgaard, I. Stensgaard, F. Besenbacher, J.Schiøtz, P. Stoltze, K.W. Jacobsen, and J.K. Nørskov: Quantized conductance in an atom-sized point contact, Phys.Rev.Lett. 72, 2251 (1994); Reply to Comment, Phys.Rev.Lett. 74, 2147 (1995)
  3. M. Brandbyge, J. Schiøtz, M. R. Sørensen, P. Stoltze, K. W. Jacobsen, J. K. Nørskov, L. Olesen, E. Lægsgaard, I. Stensgaard, and F. Besenbacher: Quantized conductance in atom-sized wires between two metals, Phys. Rev. B 52, 8499 (1995)
  4. J. Schiøtz, K. W. Jacobsen, and O. H. Nielsen: Kinematic generation of dislocations, Phil. Mag. Lett. 72, 245-250 (1995)
  5. J. Schiøtz, T. Rasmussen, K. W. Jacobsen, and O. H. Nielsen: Mechanical deformation of nanocrystalline materials, Phil. Mag. Lett. 74, 339-344 (1996).
  6. J. Schiøtz, L. M. Canel, and A. E. Carlsson: Effects of crack tip geometry on dislocation emission and cleavage: A possible path to enhanced ductility, Phys. Rev. B 55, 6211-6221 (1997).
  7. C. V. Ovesen, B. S. Clausen, J. Schiøtz, P. Stoltze, H. Topsøe, and J. K Nørskov: Kinetic implications of dynamical changes in catalyst morphology during methanol synthesis over Cu/ZnO catalysts, J. Catal. 168, 133-142 (1997).
  8. J. Schiøtz and A. E. Carlsson: Calculation of elastic Green's functions for lattices with cavities, Phys. Rev. B 56, 2292-2294 (1997).
  9. J. Schiøtz, F. D. Di Tolla and K. W. Jacobsen: Softening of nanocrystalline metals at very small grain sizes, Nature 391, 561-563 (1998).
  10. J. Schiøtz, T. Vegge, F. D. Di Tolla and K. W. Jacobsen: Atomic-scale simulations of the mechanical deformation of nanocrystalline metals, Phys. Rev. B 60, 11971-11983 (1999)
  11. J. Schiøtz and A. E. Carlsson: The influence of surface stress on dislocation emission from sharp and blunt cracks in fcc metals, Philos. Mag. A 80, 69-82 (2000).
  12. J. Schiøtz, T. Leffers and B. N. Singh: Dislocation nucleation and vacancy formation during high-speed deformation of fcc metals, Phil. Mag. Lett. 81, 301-309 (2001).
  13. J. Schiøtz, T. Leffers and B. N. Singh: Modeling of dislocation generation and interaction during high-speed deformation of metals, Radiation Effects and Defects in Solids 157, 193-300 (2002).
  14. J. Christiansen, K. Morgenstern, J. Schiøtz, K. W. Jacobsen, K.-F. Braun, K.-H. Rieder, E. Lægsgaard, and F. Besenbacher: Atomic-Scale Structure of Dislocations Revealed by Scanning Tunneling Microscopy and Molecular Dynamics, Phys. Rev. Lett. 88, 206106 (2002).
  15. J. Schiøtz and K. W. Jacobsen: A Maximum in the Strength of Nanocrystalline Copper, Science 301, 1357 (2003).
  16. J. Schiøtz: Strain-induced coarsening in nanocrystalline metals under cyclic deformation. (Proceeding of the 11th confererence on Rapidly Quenched and Metastable Materials, Oxford, August 2002). Mater. Sci. Eng. A, 375-377C, 970-974 (2004).
  17. N. P. Bailey, J. Schiøtz, and K. W. Jacobsen: Simulation of Cu-Mg Metallic Glass: Thermodynamics and Structure, Phys. Rev. B 69, 144205 (2004).
  18. J. Meier, J. Schiøtz, P. Liu, J. K. Nørskov and U. Stimming: Nano-scale Effects in Electrochemistry, Chem. Phys. Lett. 390, 440-444 (2004).
  19. T. Shimokawa, J. J. Mortensen, J. Schiøtz, K. W. Jacobsen: Matching conditions in the quasicontinuum method: Removal of the error introduced at the interface between the coarse-grained and fully atomistic region, Phys. Rev. B 69, 214104 (2004).
  20. J. Schiøtz: Atomic-scale modeling of plastic deformation of nanocrystalline copper, Scripta Mater. 51, 837-841 (2004).
  21. S. L. Frederiksen, K. W. Jacobsen and J. Schiøtz: Simulations of Intergranular Fracture in Nanocrystalline Molybdenum, Acta Materialia 59, 5019-5029 (2004).
  22. N. P. Bailey, J. Schiøtz, and K. W. Jacobsen: Atomistic Simulations of Cu-Mg Metallic Glasses: Mechanical Properties, Mater. Sci. Eng. A 387-389, 996-1000 (2004).
  23. N. P. Bailey, J. Schiøtz, and K. W. Jacobsen: Atomistic Simulation study of the shear-bands deformation mechanism in Mg-Cu metallic glasses, Phys. Rev. B 73, 064108 (2006).
  24. J. Engbæk, J. Schiøtz, B. Dahl-Madsen, and S. Horch, Atomic structure of screw dislocations intersecting the Au(111) surface: A combined scanning tunneling microscopy and molecular dynamics study, Phys. Rev. B 74, 195434 (2006).
  25. N. P. Bailey, J. Schiøtz, A. Lemaître, and K. W. Jacobsen: Avalanche Size Scaling in Sheared Three-Dimensional Amourphous Solids, Phys. Rev. Lett. 98, 095501 (2007).
  26. A. Paduraru, A. Kenoufi, N. P. Bailey and J. Schiøtz, An Interatomic Potential for Studying CuZr Bulk Metallic Glasses, Adv. Eng. Mater. 9, 505 (2007).
  27. R. B. Godiksen, Z. T. Trautt, M. Upmanyu, J. Schiøtz, D. J. Jensen and S. Schmidt: Simulations of Boundary Migration during Recrystallisation using Molecular Dynamics, Acta Mater. 55, 6383-6391 (2007).
  28. J. Gavnholt and J. Schiøtz: The structure and reactivity of Ruthenium nanoparticles, Phys. Rev. B 77, 035404 (2008).
  29. J. Gavnholt, T. Olsen, M. Engelund and J. Schiøtz: Delta self-consistent field method to obtain potential energy surfaces of excited molecules on surfaces, Phys. Rev. B 78, 075441 (2008).
  30. T. Olsen, J. Gavnholt and J. Schiøtz: Hot-electron-mediated desorption rates calculated from excited-state potential energy surfaces, Phys. Rev. B 79, 035403 (2009).
  31. J. Gavnholt, A. Rubio, T. Olsen, K. S. Thygesen and J. Schiøtz: Hot-electron assisted femtochemistry at surfaces: A time-dependent density functional theory approach, Phys. Rev. B 79, 195405 (2009).
  32. A. Pedersen, G. Henkelman, J. Schiøtz and H. Jónsson: Long time scale simulation of a grain boundary in copper, New. J. Phys. 11, 073034 (2009).

CONFERENCE PROCEEDINGS (PEER REVIEWED)

  1. J. Schiøtz, A. E. Carlsson, L. M. Canel, and Robb Thomson: Effect of crack blunting on subsequent crack propagation, in Fracture - Instability Dynamics, Scaling, and Ductile/Brittle Behavior edited by R. L. Blumberg Selinger et al., Mater. Res. Soc. Symp. Proc. 409, 95-100 (1996).
  2. J. Schiøtz, T. Vegge, F. D. Di Tolla and K. W. Jacobsen: Simulations of mechanics and structure of nanomaterials - from nanoscale to coarser scales, In J. V. Carstensen, T. Leffers, T. Lorentzen, O. B. Pedersen, B. F. Sørensen and G. Winther: Modelling of Structure and Mechanics of Materials from Microscale to Product, Proceedings of the 19th Risø International Symposium on Materials Science, pp. 133-148 (1998).
  3. J. Schiøtz, T. Vegge and K. W. Jacobsen: Atomic-scale modeling of the deformation of nanocrystalline metals, in Multiscale Modelling of Materials, edited by V. V. Bulatov, T. Diaz de la Rubia, R. Phillips, E. Kaxiras and N. Ghoniem, Mater. Res. Soc. Symp. Proc. 538, 299-308 (1999).
  4. J. Schiøtz: Simulations of nanocrystalline metals at the atomic scale. What can we do? What can we trust?, in Proceedings of the 22nd Risø International Symposium on Materials Science: Science of Metastable and Nanocrystalline Alloys - Structure, Properties and Modelling, edited by A. R. Dinesen et al., pp. 127-139 (2001).
  5. J. Schiøtz and S. L. Frederiksen: Competing deformation mechanisms in nanocrystalline metals, in "IUTAM Symposium on Mesoscopic Dynamics of Fracture Processes and Materials Strength" (Proceeding of the IUTAM Symposium helt in Osaka, Japan, 6-11 July 2003) edited by H. Kitagawa and Y. Shibutani (Kluwer, Dordrecht, 2004).
  6. T. Shimokawa, J. Schiøtz, J. J. Mortensen and K. W. Jacobsen: Seamless Coupling of Atomistic and Continuum Fields in the Quasicontinuum Method Proceedings of the 2nd International Conference on Multiscale Materials Modelling, edited by Nasr M. Ghoniem, pp. 469-471 (2004).
  7. G. Kaat, O. Andersen, L. Jensen and J. Schiøtz: Intrinsic defect diffusion in FZ silicon during crystal growth, Proceedings of the Nordic COMSOL Conference 2006 Copenhagen, edited by L. Gregersen, COMSOL, Lyngby, Denmark, pp. 111-115 (2006).
  8. P. Viscor, O. Andersen, T. Clausen, P. Ellsmore, L. Jensen and J. Schiøtz: EIS Characterization of Ultra High Purity, Float Zone Single Crystal Silicon, accepted, to be published in ECS Transactions - Honolulu, HI, volume 13 of High Purity Silicon 10.

OTHER PUBLICATIONS (PERSPECTIVES, NEWS & VIEWS)

  1. K. W. Jacobsen and J. Schiøtz: Nanoscale plasticity, Nature Materials 1, 15-16 (2002) (News & Views).
    (Volume 1 issue 1 including this comment is freely available from the journal's homepage).
  2. J. B. Bilde-Sørensen and J. Schiøtz: Nanocrystals Get Twins, Science 300, 1244-1245 (2003) (Perspective).

PUBLICATIONS IN NEWSLETTERS AND POPULAR JOURNALS

  1. K. W. Jacobsen, J. Schiøtz and O. H. Nielsen: Smeltning af mesoskopiske klynger (English title: Melting of mesoscopic clusters). Kvant 4(1), 3 (1993). In Danish.
  2. J. Schiøtz and T. Vegge: Computer simulations of the mechanical properties of metals, Science Progress 82, 313-325 (1999).
  3. J. J. Mortensen, J. Schiøtz and K. W. Jacobsen: The Quasicontinuum Method Revisited. SIMU Newsletter, Issue 4, p. 119 (2002).

CHAPTERS IN BOOKS AND COLLECTIONS

  1. J. Schiøtz: The deformation of nanocrystalline metals: a molecular dynamics approach. In P. Klimanek and M. Seefeldt: Simulationstechniken in der Matrialwissenschaft. Technische Universität Bergakademie Freiberg, p. 135. (1999).
  2. J. Schiøtz: Tilstandsdiagrammer (English title: Phase diagrams). Chapter A10 of Materialebogen (The Materials Book), Nyt Teknisk Forlag, Copenhagen (2008).

THESES

  1. J. Schiøtz: Høj-Tc superlederes elektroniske egenskaber (English title: Electronic properties of Hi-Tc superconductors). Master's thesis, Technical University of Denmark, Lyngby, Denmark, 1991. In Danish.
  2. J. Schiøtz: Molecular dynamics of mesoscopic systems. Ph.D. thesis, Technical University of Denmark, Lyngby, Denmark, 1995.
Last modified: 3 August, 2009 by Jakob Schiøtz.