Sentence examples for an atomistic description from inspiring English sources

This study makes use of an atomistic description.

In the proposed RVE, the polymer, epoxy in this case, was modeled as a continuum phase whereas the deformation in graphene was evaluated using an atomistic description.

We propose Monte Carlo simulations of the precipitation kinetics of NbC on dislocations in α-iron based on an atomistic description of the main mechanisms controlling the kinetic pathway.

These results indicate that ReaxFF MD simulations can give an atomistic description of the initiation mechanism and product distributions of pyrolysis and combustion for hydrocarbon fuels, and can be further used to provide molecular based robust kinetic reaction mechanism for chemical kinetic modeling of hydrocarbon fuels.

An atomistic description of the problem is achieved by implementing constitutive relations that are derived solely from interatomic potentials.

An atomistic description and quantification of the individual contributions coming from the driving force and the grain boundary mobility to the phenomenon of grain growth can result in a better understanding and control of the microstructural evolution.

The interaction potentials involve a fully atomistic description of the fullerenes or carbon nanotubes and the water is modeled using the flexible SPC model.

A crossover between this atomistic description and a continuous representation of tilt boundaries is carried out by designing periodic arrays of appropriately chosen smooth disclination dipoles.

We present an atomistic level description of the reaction mechanisms in thermally ignited samples of reactive core/shell Ni/Al wires.

(b) Atomistic description of the selected area in (a).

Kinetic Monte Carlo provides an effective means of sampling rare events without losing the detailed atomistic description of the glass structure.