Nonequilibrium Molecular Dynamics Simulation of Steady Shear Flows of Gay-Berne Fluids
نویسندگان
چکیده
منابع مشابه
An examination of the validity of nonequilibrium molecular-dynamics simulation algorithms for arbitrary steady-state flows.
Nonlinear-response theory of nonequilibrium molecular-dynamics simulation algorithms is considered under the imposition of an arbitrary steady-state flow field. It is demonstrated that the SLLOD and DOLLS algorithms cannot be used for general flows, although the SLLOD algorithm is rigorous for planar Couette flow. Following the same procedure used to establish SLLOD as the valid algorithm for p...
متن کاملShear Viscosity via Periodic Nonequilibrium Molecular Dynamics
Naitoh and Ono, by Simulating Couette flow, re cently measured the hardsphere viscosity coefficient for 108 hard spheres at the freezing density [1]. A pe riodic system undergoing homogeneous shear was studied with molecular dynamics. Similar calculations have also been carried out using the Lennard-Jones REE-EYRING potential [2-4]. At the freezing density Naitoh and Ono use a square "N ALDE...
متن کاملMolecular dynamics simulation of thermomechanical coupling in a cholesteric liquid crystal model based on the Gay-Berne potential
In 1900 Otto Lehmann found that a cholesteric liquid crystal (CLC) subjected to a temperature gradient parallel to the cholesteric axis started rotating [1]. This phenomenon, thermomechanical coupling, was explained by Leslie in 1968 [2], who regarded it as a linear transport process, where a temperature gradient parallel to the cholesteric axis in addition to driving a heat flow also induces a...
متن کاملNon-equilibrium molecular-dynamics measurement of the Leslie coefficients of a Gay-Berne nematic liquid crystal
Liquid Crystals Publication details, including instructions for authors and subscription information: http://www.informaworld.com/smpp/title~content=t713926090 Non-equilibrium molecular-dynamics measurement of the Leslie coefficients of a Gay-Berne nematic liquid crystal Congmin Wu a; Tiezheng Qian b; Pingwen Zhang a a LMAM, CCSE and School of Mathematical Science, Peking University, Beijing 10...
متن کاملSteady state simulation of planar elongation flow by nonequilibrium molecular dynamics
We present a novel method for performing steady state nonequilibrium molecular dynamics simulation of planar elongation flow based on the studies of Kraynik and Reinelt @Int. J. Multiphase Flow 18, 1045 ~1992!#. These authors identified the orientation of the unit cell which leads to periodic behavior of the square lattice with the minimum period. This way the exponential deformation of the sys...
متن کاملذخیره در منابع من
با ذخیره ی این منبع در منابع من، دسترسی به آن را برای استفاده های بعدی آسان تر کنید
ژورنال
عنوان ژورنال: Nihon Reoroji Gakkaishi(Journal of the Society of Rheology, Japan)
سال: 1998
ISSN: 0387-1533
DOI: 10.1678/rheology1973.26.1_35