6533b82cfe1ef96bd128ea1b
RESEARCH PRODUCT
Atomistic Simulation of Transport Phenomena in Simple and Complex Fluids and Fluid Mixtures
Kurt BinderWalter KobFathollah VarnikJürgen Horbachsubject
Thermal equilibriumViscosityMaterials scienceThermal conductivityYield (engineering)Simple (abstract algebra)Non-equilibrium thermodynamicsThermodynamicsTransport phenomenaComplex fluiddescription
Computer simulations of fluids in thermal equilibrium can yield information on transport coefficients such as self—diffusion and interdiffusion coefficients, viscosity, and thermal conductivity. While the estimation of self—diffusion coefficients from the mean square displacements of the respective particles is rather straightforward, the estimation of other transport coefficients is less straightforward, and can be based on either an analysis of time correlation functions of the appropriate collective variables, or on nonequilibrium techniques where the linear response to appropriate perturbations is measured.
| year | journal | country | edition | language |
|---|---|---|---|---|
| 2003-01-01 |