1
شیمی::
سینماتیک
The main questions surrounding these bridging strategies concern: (i) the kinematics representations in both models; (ii) the transfer conditions on the MD and continuous models interface; and (iii) the macroscopic constitutive equation to be employed in the continuous model.
In those regions where the solution evolves uniformly, it is possible to select a (reduced) number of represen- tative atoms to describe the kinematics (via the finite element interpolation) and the energy of the body.
The kinematics are also defined without ambiguity on the MD and continuum regions, and a weak equality of the MD and continuum displacements is enforced in the overlapping region.
When coupling fluid and rigid or deformable objects, it suffices to use the same collision operator; the streaming must be applied to the fluid particles, and the kinematics of the particles composing the object will ultimately be derived from the Hamiltonian defining the object's behavior.
As indicated above, the atomistic description involves overly rich kinematics.
واژگان شبکه مترجمین ایران