Contact information:
Lawrence Livermore National Laboratory
7000 East Avenue, L-415
Livermore, CA 94550
email: trave2@llnl.gov
phone: 925-422-5957
fax: 925-422-6594
 
 
 
Andrea Trave
Research
Recent projects have been focused on the study of physical properties of matter  under high pressure, and in particular the determination of phase transitions and the structural changes driven by compression. Examples include:
 
  1. •Melting line and shock melting conditions for beryllium from first principles
  2. •Optical absorption of structural defects in silica glass
  3. •X-ray absorption for different phases of silica at various densities, as a characterization tool for Si-O coordination
 
Recent publications
  1. •A. Trave, E. Schwegler, F. Gygi, and G. Galli, "First-principles determination of the solid-liquid phase boundary and shock melting conditions in beryllium", submitted to PRB.
  2. •A. Trave, F.J. Ribeiro, S.G. Louie, and M.L. Cohen, “Energetics and structural characterization of C60 polymerization in BN and carbon nanopeapods”, Phys. Rev. B 70, 205418 (2004).
  3. •A. Trave, P. Tangney, S. Scandolo, A. Pasquarello, and R. Car, “Pressure-Induced Structural Changes in Liquid SiO2 from Ab Initio Simulations”, Phys. Rev. Lett. 89, 245504 (2002).
  4. •A. Trave, A. Selloni, A. Goursot, D. Tichit, and J. Weber, “First Principles Study of the Structure and Chemistry of Mg-Based Hydrotalcite-Like Anionic Clays”, Journal of Physical Chemistry B 106, 12291-96 (2002).
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  8. UCRL-WEB-224160
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