Molecular Dipole Chains II

Eunji Sim, Mark A Ratner, Simon W. De Leeuw

Research output: Contribution to journalArticle

14 Citations (Scopus)

Abstract

A simple one-dimensional dipole chain model is studied to explore the excitations and dissipation of kinetic energy in stacked planar molecular chains. At low temperatures, local dipole-dipole interaction dominates the properties of the chain. The analytic approximation agrees with molecular dynamics simulation for the low energy excitation spectrum, where acoustic mode behavior of the harmonic crystal lattice is obtained. Comparisons between antiferromagnetic and ferromagnetic dipole chains are made, and the important role of local dipole - dipole interaction is suggested. With antiferromagnetic interaction, the energy propagation occurs in three processes, while the secondary oscillation is no longer distinguishable with ferromagnetic interaction. Thermal equilibrium properties are discussed including the temperature fluctuation, dipole - dipole time correlation function, the Fourier density of correlation function, and the dispersion relation.

Original languageEnglish
Pages (from-to)8663-8670
Number of pages8
JournalJournal of Physical Chemistry B
Volume103
Issue number41
Publication statusPublished - Oct 14 1999

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dipoles
Lattice vibrations
Excitation energy
Crystal lattices
Kinetic energy
Molecular dynamics
Temperature
Computer simulation
interactions
molecular chains
crystal lattices
excitation
dissipation
kinetic energy
molecular dynamics
harmonics
oscillations
propagation
acoustics
Hot Temperature

ASJC Scopus subject areas

  • Physical and Theoretical Chemistry

Cite this

Sim, E., Ratner, M. A., & De Leeuw, S. W. (1999). Molecular Dipole Chains II. Journal of Physical Chemistry B, 103(41), 8663-8670.

Molecular Dipole Chains II. / Sim, Eunji; Ratner, Mark A; De Leeuw, Simon W.

In: Journal of Physical Chemistry B, Vol. 103, No. 41, 14.10.1999, p. 8663-8670.

Research output: Contribution to journalArticle

Sim, E, Ratner, MA & De Leeuw, SW 1999, 'Molecular Dipole Chains II', Journal of Physical Chemistry B, vol. 103, no. 41, pp. 8663-8670.
Sim E, Ratner MA, De Leeuw SW. Molecular Dipole Chains II. Journal of Physical Chemistry B. 1999 Oct 14;103(41):8663-8670.
Sim, Eunji ; Ratner, Mark A ; De Leeuw, Simon W. / Molecular Dipole Chains II. In: Journal of Physical Chemistry B. 1999 ; Vol. 103, No. 41. pp. 8663-8670.
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