Centre for Advanced Computing Faculty Publications
http://hdl.handle.net/1974/14423
Thu, 23 May 2019 21:19:19 GMT2019-05-23T21:19:19ZDynamical Equations For The Period Vectors In A Periodic System Under Constant External Stress
http://hdl.handle.net/1974/14424
Dynamical Equations For The Period Vectors In A Periodic System Under Constant External Stress
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 Newtonâ€™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.
Tue, 17 May 2016 00:00:00 GMThttp://hdl.handle.net/1974/144242016-05-17T00:00:00Z