Centre for Advanced Computing Faculty Publications

Permanent URI for this collection


Recent Submissions

Now showing 1 - 1 of 1
  • Item
    Dynamical Equations For The Period Vectors In A Periodic System Under Constant External Stress
    (2016-05-17) Liu, Gang
    The purpose of this paper is to derive the dynamical equations for the period vectors of a periodic system under constant external stress. The explicit starting point is Newton’s second law applied to halves of the system. Later statistics over indistinguishable translated states and forces associated with transport of momentum are applied to the resulting dynamical equations. In the final expressions, the period vectors are driven by the imbalance between internal and external stresses. The internal stress is shown to have both full interaction and kinetic-energy terms.