Loading...
Loading...

Go to the content (press return)

Rotational dynamics of a dipolar supercooled liquid

Author
Sese, G.; Ortiz de Urbina, J.; Palomar, R.
Type of activity
Journal article
Journal
Journal of chemical physics
Date of publication
2012-09-17
Volume
137
Number
11
First page
1
Last page
6
DOI
https://doi.org/10.1063/1.4752426 Open in new window
Repository
http://hdl.handle.net/2117/19612 Open in new window
URL
http://jcp.aip.org/resource/1/jcpsa6/v137/i11/p114502_s1 Open in new window
Abstract
We study the rotational dynamics of a supercooled molecular liquid by means of molecular dynamics simulations. The system under investigation is composed of rigid diatomic molecules with an associate dipole moment. At room temperature, orientational correlations decrease rapidly with increasing distances. Upon cooling, angles between dipole moments of molecules within the first coordination shell decrease. As for the dynamical properties, rotational diffusion coefficients decrease with temperatu...
Citation
Sese, G.; Ortiz de Urbina, J.; Palomar, R. Rotational dynamics of a dipolar supercooled liquid. "Journal of chemical physics", 17 Setembre 2012, vol. 137, núm. 11, p. 1-6.
Keywords
cooling, diffusion, molecular dynamics method, molecular moments, molecular orientation, rotational states, supercooling, translational states
Group of research
SIMCON - First-principles approaches to condensed matter physics: quantum effects and complexity

Participants

  • Sese Castel, Gemma  (author)
  • Ortiz de Urbina Viade, Jordi  (author)
  • Palomar Polo, Ricardo  (author)

Attachments