Free power dissipation from functional line integration
- Brader, Joseph M. Department of Physics, Soft Matter Theory, University of Fribourg, Switzerland
- Schmidt, Matthias Theoretische Physik II, Physikalisches Institut, Universität Bayreuth, Germany
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17.09.2015
Published in:
- Molecular Physics. - 2015, vol. 113, no. 17-18, p. 2873–2880
density functional theory
dynamical density functional theory
liquid state structure
Brownian dynamics
perturbation theory
English
Power functional theory provides an exact generalisation of equilibrium density functional theory to non-equilibrium systems undergoing Brownian many-body dynamics. Practical implementation of this variational approach demands knowledge of an excess (over ideal gas) dissipation functional. Using functional line integration (i.e. the operation inverse to functional differentiation), we obtain an exact expression for the excess free power dissipation, which involves the pair interaction potential and the two-body, equal-time density correlator. This provides a basis for the development of approximation schemes.
- Faculty
- Faculté des sciences et de médecine
- Department
- Département de Physique
- Language
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- English
- Classification
- Physics
- License
- License undefined
- Identifiers
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- RERO DOC 258411
- DOI 10.1080/00268976.2015.1042086
- Persistent URL
- https://folia.unifr.ch/unifr/documents/304624
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