Pressure and electrical resistivity measurements on hot expanded nickel: Comparisons with quantum molecular dynamics simulations and average atom approaches
Creators
- 1. CEA-DAM-DIF, Bruyeres Le Chatel, 91297 Arpajon Cedex (France)
Description
We present experimental results on pressure and resistivity on expanded nickel at a density of 0.1 g/cm3 and temperature of a few eV. These data, corresponding to the warm dense matter regime, are used to benchmark different theoretical approaches. A comparison is presented between fully three-dimensional quantum molecular dynamics (QMD) methods, based on density functional theory, with average atom methods, that are essentially one dimensional. In this regime the evaluation of the thermodynamic properties as well as electrical properties is difficult due to the concurrence of density and thermal effects which directly drive the metal-nonmetal transition. Experimental pressures and resistivities are given in a tabular form with temperatures deduced from QMD simulations.
Additional details
Identifiers
Publishing Information
- Journal Title
- Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics (Print)
- Journal Volume
- 82
- Journal Issue
- 4
- Journal Page Range
- p. 046402-046402.5
- ISSN
- 1539-3755
INIS
- Country of Publication
- United States
- Country of Input or Organization
- International Atomic Energy Agency (IAEA)
- INIS RN
- 42058381
- Subject category
- S36: MATERIALS SCIENCE; S74: ATOMIC AND MOLECULAR PHYSICS;
- Descriptors DEI
- ATOMS; BENCHMARKS; COMPARATIVE EVALUATIONS; COMPUTERIZED SIMULATION; DENSITY; DENSITY FUNCTIONAL METHOD; ELECTRIC CONDUCTIVITY; EV RANGE; MOLECULAR DYNAMICS METHOD; NICKEL; NONMETALS; THERMODYNAMIC PROPERTIES
- Descriptors DEC
- CALCULATION METHODS; ELECTRICAL PROPERTIES; ELEMENTS; ENERGY RANGE; EVALUATION; METALS; PHYSICAL PROPERTIES; SIMULATION; TRANSITION ELEMENTS; VARIATIONAL METHODS
Optional Information
- Notes
- (c) 2010 The American Physical Society