Chemistry Reference
In-Depth Information
atoms. This mechanical representation of the lattice behavior serves as an
intermediate step in linking the molecular potential with an equivalent-
continuum model.
In the truss model, each truss element represented a chemical bond or a
nonbonded interaction. The stretching potential of each bond corresponds
with the stretching of the corresponding truss element. Atoms in a lattice
have been viewed as masses that are held in place with atomic forces that
is similar to elastic springs. Therefore, bending of Truss elements is not
needed to simulate the chemical bonds, and it is assumed that each truss
joint is pinned, not fixed, Fig. 9.7
shown the atomistic-based continuum
modeling and RVE of the chemical, truss and continuum models.
FIGURE 9.7
Atomistic-based continuum modeling and RVE of the chemical, truss and
continuum models.
The mechanical strain energy, , of the truss model is expressed in the
form:
(48)
