Sentence examples for empirical potentials from inspiring English sources

This study also shows, that even though the empirical potentials developed by Vijaykumar et al.

Precisely designed empirical potentials are important elements to accurately simulate static and time-dependant behavior of materials.

Molecular dynamics simulations using empirical potentials reveal HOPG graphite's response to irradiations.

A multipronged investigative approach is taken, utilizing direct molecular dynamics simulations with empirical potentials, analytic modeling and electronic structure calculations.

This result clarifies why the existing empirical potentials of bcc iron fail to predict the correct mobility path.

We jointly employ empirical potentials and ab initio methods to create and characterize new structural models and to show that they are in accord with many experimental observations.

The energetics are described by the Tersoff empirical potential [11].

In this study the ideal crystals were relaxed using molecular dynamics (MD) with an empirical potential.

Empirical potential for hydrocarbons for use in simulating the chemical vapor deposition of diamond films.

Once validated with an empirical potential, these laws are parameterized with ab initio data.

The Tersoff empirical potential energy function [10] is generally used to simulate the interaction between graphene carbon atoms.