Construction and thermodynamic functions of an Einstein crystal with nonlocal interactions

摘要

An assembly of independent oscillators is constructed with the reference length of each oscillator coupled to the total volume of material. Because this coupling is not due to neighbor interactions, the material is referred to as a nonlocal Einstein crystal. Closed form thermodynamic functions are derived for both NVT and NPT ensembles. This crystal can be used as a reference system for thermodynamic integration under finite pressure or tension. It can also be generalized to capture tensorial stress-strain behavior as well as thermal expansion.