Quantum Molecular Dynamics Simulations for the Nonmetal-to-Metal Transition in Fluid Helium

André Kietzmann, Bastian Holst, Ronald Redmer, Michael P. Desjarlais, and Thomas R. Mattsson
Phys. Rev. Lett. 98, 190602 – Published 9 May 2007

Abstract

We have performed quantum molecular dynamics simulations for dense helium to study the nonmetal-to-metal transition at high pressures. We present new results for the equation of state and the Hugoniot curve in the warm dense matter region. The optical conductivity is calculated via the Kubo-Greenwood formula from which the dc conductivity is derived. The nonmetal-to-metal transition is identified at about 1g/cm3. We compare with experimental results as well as with other theoretical approaches, especially with predictions of chemical models.

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  • Received 16 January 2007

DOI:https://doi.org/10.1103/PhysRevLett.98.190602

©2007 American Physical Society

Authors & Affiliations

André Kietzmann, Bastian Holst, and Ronald Redmer

  • Universität Rostock, Institut für Physik, D-18051 Rostock, Germany

Michael P. Desjarlais and Thomas R. Mattsson

  • Pulsed Power Sciences Center, Sandia National Laboratories, Albuquerque, New Mexico 87185-1186, USA

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Issue

Vol. 98, Iss. 19 — 11 May 2007

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