Bulletin of the American Physical Society
APS March Meeting 2011
Volume 56, Number 1
Monday–Friday, March 21–25, 2011; Dallas, Texas
Session J31: Focus Session: Materials at High Pressure II: Elements
11:15 AM–2:15 PM,
Tuesday, March 22, 2011
Sponsoring Units: DMP GSCCM DCOMP
Chair: Viktor Struzhkin, Carnegie Institution
Abstract ID: BAPS.2011.MAR.J31.12
Abstract: J31.00012 : On the role of quantum ion dynamics for the anomalous melting of lithium*
1:51 PM–2:03 PM
Preview Abstract Abstract
(Department of Physics, Dalhousie University, Halifax, NS, B3H 3J5, Canada)
(Lawrence Livermore National Laboratory, Livermore, California 94550)
Lithium has attracted a lot of interest in relation to a number of counterintuitive electronic and structural changes that it exhibits under pressure. One of the most remarkable properties of dense lithium is its anomalous melting. This behavior was first predicted theoretically based on first-principles molecular dynamics (FPMD) simulations, which treated the ions classically . The lowest melting temperature was determined to be about 275~K at 65~GPa. Recent experiments measured a melting temperature about 100~K lower at the same pressure. In this talk, we will present FPMD calculations of solid and liquid lithium free energies up to 100 GPa that take into account ion quantum dynamics. We examine the significance of the quantum effects for the finite-temperature phase boundaries of lithium and, in particular, its melting curve. \\[4pt]  I. Tamblyn, J-Y. Raty, and S. A. Bonev, Phys. Rev. Lett. 101, 075703 (2008).\\[0pt]  E. Gregoryanz et al, Nature, in press.
*Work supported by NSERC, Acenet, and LLNL under Contract DE-AC52-07NA27344.
To cite this abstract, use the following reference: http://meetings.aps.org/link/BAPS.2011.MAR.J31.12
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