Multi-species dynamical density functional theory
Author(s) -
Benjamin D. Goddard,
Andreas Nold,
Serafim Kalliadasis
Publication year - 2013
Publication title -
the journal of chemical physics
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.071
H-Index - 357
eISSN - 1089-7690
pISSN - 0021-9606
DOI - 10.1063/1.4800109
Subject(s) - statistical physics , inertia , formalism (music) , phase space , langevin dynamics , physics , density functional theory , classical mechanics , dynamical systems theory , quantum mechanics , art , musical , visual arts
We study the dynamics of a multi-species colloidal fluid in the full position-momentum phase space. We include both inertia and hydrodynamic interactions, which strongly influence the non-equilibrium properties of the system. Under minimal assumptions, we derive a dynamical density functional theory (DDFT), and, using an efficient numerical scheme based on spectral methods for integro-differential equations, demonstrate its excellent agreement with the full underlying Langevin equations. We utilise the DDFT formalism to elucidate the crucial effects of hydrodynamic interactions in multi-species systems.
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