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Rotational dynamics of a dipolar supercooled liquid

Autor
Sese, G.; Ortiz de Urbina, J.; Palomar, R.
Tipus d'activitat
Article en revista
Revista
Journal of chemical physics
Data de publicació
2012-09-17
Volum
137
Número
11
Pàgina inicial
1
Pàgina final
6
DOI
https://doi.org/10.1063/1.4752426 Obrir en finestra nova
Repositori
http://hdl.handle.net/2117/19612 Obrir en finestra nova
URL
http://jcp.aip.org/resource/1/jcpsa6/v137/i11/p114502_s1 Obrir en finestra nova
Resum
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...
Citació
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.
Paraules clau
cooling, diffusion, molecular dynamics method, molecular moments, molecular orientation, rotational states, supercooling, translational states
Grup de recerca
SIMCON - First-principles approaches to condensed matter physics: quantum effects and complexity

Participants

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

Arxius