Molecular dynamics simulations of liquid gallium at 320 and 970 K

Authors: L. E. Bove1; F. Sacchetti2; C. Petrillo3; F. Formisano4; M. Sampoli5; F. Barocchi6

Source: Philosophical Magazine, Volume 84, Numbers 13-16, 1 May-1 June 2004 , pp. 1609-1619(11)

Publisher: Taylor and Francis Ltd

Key:
Free Content - Free Content
New Content - New Content
Subscribed Content - Subscribed Content
Free Trial Content - Free Trial Content

Abstract:

We performed large scale molecular dynamics simulations of liquid gallium at 320 and 970 K, exploiting a phenomenological model of the ion-pair potential depending only on the electron density. The simulations provided a description of the structure and of several dynamic properties of the system, in quantitative agreement with the experimental findings. The analysis of the intermediate self-correlation function indicated the presence of a second process, other than the diffusive process, driving the dynamics of liquid gallium at short times. This fast process, having a characterizing decay time of the order of a fraction of a picosecond, is here identified with a cage motion.

Document Type: Research article

DOI: 10.1080/14786430310001644396

Affiliations: 1: Istituto Nazionale per la Fisica della Materia Unità di Perugia I-06123 Perugia Italy 2: Dipartimento di Fisica and Istituto Nazionale per la Fisica della Materia Università di Perugia I-06123 Perugia Italy 3: Dipartimento di Fisica and Istituto Nazionale per la Fisica della Materia Politecnico di Milano I-20133 Milan Italy 4: Istituto Nazionale per la Fisica della Materia Operative Group Grenoble F-38042 Grenoble France 5: Dipartimento di Energetica Istituto Nazionale per la Fisica della Materia and Laboratorio Europeo di Spettroscopia Non Lineare Università di Firenze I-50139 Firenze Italy 6: Dipartimento di Fisica Istituto Nazionale per la Fisica della Materia and Laboratorio Europeo di Spettroscopia Non Lineare Università di Firenze I-50139 Firenze Italy

The full text electronic article is available for purchase. You will be able to download the full text electronic article after payment.

$45.09 plus tax      Refund Policy

 

OR

Back to top

Key:
Free Content - Free Content
New Content - New Content
Subscribed Content - Subscribed Content
Free Trial Content - Free Trial Content
Share this item with others: These icons link to social bookmarking sites where readers can share and discover new web pages.
Page Help Click here for Page Help
Shopping cart
Tools
Sign in






Need to register?
Sign up here
Text size: A | A | A | A