Sentence examples for atomic simulation from inspiring English sources

Hjorth Larsen, A. et al. The atomic simulation environment a Python library for working with atoms.

Bridging-scale techniques are developed to address the problems in traditional macroscopic and microscopic modeling, which combine the intrinsic interatomic potential and continuum mechanical solution frameworks, hence possess merits in both atomic simulation and computational continuum mechanics.

The results for the MA07 model are consistent with the known slip geometry of Zr, suggesting that it offers significant advantages for large-scale atomic simulation of dislocation behaviour.

Atomic simulation environment.

The values of atomic simulation are close to the one estimated by continuous mechanical beam theory.

The QC method is an effective multiscale approach that couples continuum and atomic simulation.

In this work, the authors unveil, through atomic simulations, the working principles of guest atoms in schwarzites by highlighting the relationship between thermal transport properties and rattling motions of guest atoms.

Atomic simulations have been carried out and enhanced the reliability of the simulated diffusion process of chemotherapeutic drug and corresponding estimation of the efficacy of drug treatment.

Clouet, E. The vacancy edge dislocation interaction in fcc metals: A comparison between atomic simulations and elasticity theory.

Atomic simulations indicated that a volume of reduced-stiffness polymer may exist around chain scissions.

Results of atomic simulations are compared with predictions of elasticity theory.