Skip to content Skip to navigation
University of Warwick
  • Study
  • |
  • Research
  • |
  • Business
  • |
  • Alumni
  • |
  • News
  • |
  • About

University of Warwick
Publications service & WRAP

Highlight your research

  • WRAP
    • Home
    • Search WRAP
    • Browse by Warwick Author
    • Browse WRAP by Year
    • Browse WRAP by Subject
    • Browse WRAP by Department
    • Browse WRAP by Funder
    • Browse Theses by Department
  • Publications Service
    • Home
    • Search Publications Service
    • Browse by Warwick Author
    • Browse Publications service by Year
    • Browse Publications service by Subject
    • Browse Publications service by Department
    • Browse Publications service by Funder
  • Help & Advice
University of Warwick

The Library

  • Login
  • Admin

Ion structure in warm dense matter: benchmarking solutions of hypernetted-chain equations by first-principle simulations

Tools
- Tools
+ Tools

Wünsch, Kathrin, Vorberger, Jan and Gericke, Dirk O. (2009) Ion structure in warm dense matter: benchmarking solutions of hypernetted-chain equations by first-principle simulations. Physical Review E (Statistical, Nonlinear, and Soft Matter Physics), Vol.79 (No.1). 0201. doi:10.1103/PhysRevE.79.010201

[img]
Preview
PDF
WRAP_Gerricke_Ion_structure_270809-depository-4.pdf - Requires a PDF viewer.

Download (160Kb)
Official URL: http://dx.doi.org/10.1103/PhysRevE.79.010201

Request Changes to record.

Abstract

We investigate the microscopic structure of strongly coupled ions in warm dense matter using ab initio simulations and hypernetted chain (HNC) equations. We demonstrate that an approximate treatment of quantum effects by weak pseudopotentials fails to describe the highly degenerate electrons in warm dense matter correctly. However, one-component HNC calculations for the ions agree well with first-principles simulations if a linearly screened Coulomb potential is used. These HNC results can be further improved by adding a short-range repulsion that accounts for bound electrons. Examples are given for recently studied light elements, lithium and beryllium, and for aluminum where the extra short-range repulsion is essential.

Item Type: Journal Article
Subjects: Q Science > QC Physics
Divisions: Faculty of Science > Physics
Library of Congress Subject Headings (LCSH): Density functionals, Strongly-coupled plasmas, Molecular dynamics, Liquid metals, Liquids -- Thermal properties
Journal or Publication Title: Physical Review E (Statistical, Nonlinear, and Soft Matter Physics)
Publisher: American Physical Society
ISSN: 1539-3755
Official Date: 6 January 2009
Dates:
DateEvent
6 January 2009Published
Volume: Vol.79
Number: No.1
Page Range: 0201
DOI: 10.1103/PhysRevE.79.010201
Status: Peer Reviewed
Access rights to Published version: Open Access
Funder: Engineering and Physical Sciences Research Council (EPSRC)

Data sourced from Thomson Reuters' Web of Knowledge

Request changes or add full text files to a record

Repository staff actions (login required)

View Item View Item

Downloads

Downloads per month over past year

View more statistics

twitter

Email us: wrap@warwick.ac.uk
Contact Details
About Us