Sentence examples for atom potential from inspiring English sources

The molecular dynamics simulations use an embedded atom potential for aluminum.

The immediate surroundings of the crack tip are described atomistically using an embedded atom potential.

At the same time, the embedded atom potential, originally designed for the solid state, has turned out to inappropriately reproduce the first-neighbor g(r) peak.

Dislocation core structures of 〈100〉, 〈110〉 and 〈111〉 dislocations in NiAl have been studied by molecular static calculations using an embedded atom potential.

We model four metallic glasses: a binary Lennard-Jones system, two binary embedded atom potential systems and a quinternary embedded atom system.

Using a realistic full atom potential coupled with a Gō-like potential biased to the native state structure, we have investigated the effects of point mutations on the folding rates of a small single domain protein.

Embedded atom potentials were derived for the FeAl system reproducing lattice and elastic properties of B2 FeAl.

To emulate the movement of the STM and simulate the tip and surface that are annealed mechanically, we used MD simulations with embedded atom potentials.

The bond energy mechanism presented by the SW potential is different from that by the classical potentials, such as the Lennard Jones, Tersoff and Embedded Atom potentials.

Molecular dynamics simulations utilizing embedded atom potentials have been employed to compute the liquid diffusivities for pure Cu and Ni in the vicinity of their melting points.

We used unrelaxed and relaxed QC simulations with three embedded atom potentials of Al to evaluate the generalized planar fault (GPF) energies.