6 research outputs found
Statistical Mechanics of Glass Formation in Molecular Liquids with OTP as an Example
We extend our statistical mechanical theory of the glass transition from
examples consisting of point particles to molecular liquids with internal
degrees of freedom. As before, the fundamental assertion is that super-cooled
liquids are ergodic, although becoming very viscous at lower temperatures, and
are therefore describable in principle by statistical mechanics. The theory is
based on analyzing the local neighborhoods of each molecule, and a statistical
mechanical weight is assigned to every possible local organization. This
results in an approximate theory that is in very good agreement with
simulations regarding both thermodynamical and dynamical properties