Lawrence Livermore National Laboratory



Kyle Caspersen

Research Staff
Physics Division


 +1 925-423-6991


DegreeDiscipline/InstitutionYear
Ph.D. Cognitive Psychology (neurobiology emphasis)
University of Notre Dame
2012
M.S. Cognitive Neuroscience
University of Notre Dame
2006
B.S. Interdisciplinary Chemistry and Physics
Reed College

Research Interests

My interests are in the theoretical investigation of condensed matter under both equilibrium and non-equilibrium conditions. Recently, I have investigated the growth of silver thin films via lattice gas modeling [4, 6-13]. I have also worked to develop a multi-scale model that is capable of describing the microstructure and mechanical response of iron before, during, and after the bcc to hcp phase transformation [1,5]. Additionally, I have developed a method to describe the reaction path for martensitic transformations, and therefore, determine the energy barrier for the transformation [3]. Currently, I am studying the molecular to non-molecular phase transformation that occurs in liquid hydrogen via first-principles molecular dynamics.

Selected Publications

  1. A. Lew, K. J. Caspersen, E. A. Carter, and M. Ortiz, "Quantum mechanics based multiscale modeling of stress induced phase transformations in iron", J. Mech. Phys. Solids, 54, 1276 1303, (2006).
  2. J. Ledieu, E. J. Cox, R. McGrath, N. V. Richardson, Q. Chen, V. Fournee, T. A. Lograsso, A R. Ross, K. J. Caspersen, B. Unal, J. W. Evans, P. A. Thiel, "Step structure on the fivefold Al Pd Mn quasicrystal surface, and on related surfaces", Surf. Sci., 583, 4 15, (2005).
  3. K. J. Caspersen and E. A. Carter, "Finding transition states for crystalline solid-solid phase transformations," Proc. Nat. Acc. Sci., submitted Nov. 2004.
  4. K. J. Caspersen, Da Jiang Liu, M. C. Bartelt, C. R. Stoldt, A. R. Layson, P. A. Thiel, and J. W. Evans, in Computational Materials Chemistry, editors: M.S. Gordon and L.A. Curtiss, (Kluwer Academic Publishers, Dordrecht, Netherlands, 2004), Nanostructure Formation and Relaxation in Metal(100) Homoepitaxial Thin Films: Atomistic and Continuum Modeling
  5. K. J. Caspersen, A. Lew, M. Ortiz, and E. A. Carter, "Importance of Shear in the bcc-to-hcp Transformation in Iron," Phys. Rev. Lett. 93, 115501 (2004).
  1. K. J. Caspersen, A. R. Layson, C. R. Stoldt, V. Fournee, P. A. Thiel, and J. W. Evans, "Development and Ordering of Mound during Metal(100) Homoepitaxy," Phys. Rev. B 65, 193407 (2002).
  2. S. Frank, H. Wedler, R. J. Behm, J. Rottler, P. Maass, K. J. Caspersen, C. R. Stoldt, P. A. Thiel, and J. W. Evans, "Approaching the Low Temperature Limit in Nucleation and Growth of fcc(100) Metal Films Ag/Ag(100)," Phys. Rev. B 66, 155435 (2002).
  3. K. J. Caspersen and J. W. Evans, "Realistic Atomistic Models for Mound Formation during Multilayer Growth: Metal(100) Homoepitaxy," Proceedings of the NATO ARW on Atomistic Aspects of Epitaxial Growth, Corfu, Greece June 2001, edited by M. Kotrla, N.I. Papanicolau, D.D. Vvedensky, and L.T. Wille (Kluwer, Dordrecht, 2002), pp. 197-206.
  4. K. J. Caspersen, C. R. Stoldt, A. R. Layson, M. C. Bartelt, P. A. Thiel, and J. W. Evans, "Morphology of multilayer Ag/Ag(100) films versus deposition temperature: STM analysis and atomistic lattice-gas modeling," Phys. Rev. B 63, 085401 (2001).
  5. K. J. Caspersen and J. W. Evans, "Metal Homoepitaxial Growth at Very Low Temperatures: Lattice-Gas Models with Restricted Downward Funneling," Physical Review B 64, 075401 (2001).
  6. C. R. Stoldt, K. J. Caspersen, M. C. Bartelt, C. J. Jenks, J. W. Evans, and P. A. Thiel, "Using  Temperature to Tune Film Roughness: Nonintuitive Behavior in a Simple System," Phys. Rev. Lett. 85, 801 (2000).
  7. K. J. Caspersen, C. R. Stoldt, P. A. Thiel, and J. W. Evans, "Modeling of Metal (100) Homoepitaxial Film Growth at Very Low Temperatures," in Recent Developments in Oxide and Metal Epitaxy: Theory and Experiment, edited by M. Yeadon, S. Chang, R. F. C. Farrow, J.W. Evans, and O. Auciello, MRS Proceedings 619 (MRS, Pittsburgh, 2000).
  8. C. R. Stoldt, K. J. Caspersen, M. C. Bartelt, C. J. Jenks, J. W. Evans, and P. A. Thiel, "Kinetic Roughening of Multilayer Ag/Ag(100) Films: Complex Tempreature-Dependence in a Simple System," in Recent Developments in Oxide and Metal Epitaxy: Theory and Experiment, edited by M. Yeadon, S. Chang, R. F. C. Farrow, J. W. Evans, and O. Auciello, MRS Proceedings 619 (MRS, Pittsburgh, 2000).

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