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 . Currently, I am studying the molecular to non-molecular phase transformation that occurs in liquid hydrogen via first-principles molecular dynamics.
- 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).
- 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).
- K. J. Caspersen and E. A. Carter, "Finding transition states for crystalline solid-solid phase transformations,"
Proc. Nat. Acc. Sci., submitted Nov. 2004.
- 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
- 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).