Sentence examples for using atomistic simulations of from inspiring English sources

Dislocation mobility in a solid solution was studied using atomistic simulations of an Mg/Al system.

We report on the elastic properties of high-textured laminar pyrocarbons (PyCs) as obtained at the nanoscale using atomistic simulations on realistic models of the rough laminar (RL) PyC, the regenerative laminar (ReL) PyC, and the ReL PyC heat treated at temperatures up to 1700 °C.

Using atomistic simulations, the effect of jogs on the cross-slip of screw character dislocations and screw-dipole annihilation was examined for both FCC Cu and Ni.

Here, using atomistic simulations, stretching characteristics of helical coiled CNTs (HCCNTs) having six different CNT-chirality are contrasted.

Chemisorption of hydrogen on graphene is studied using atomistic simulations with the second generation of reactive empirical bond order Brenner inter-atomic potential.

Using atomistic simulations, we reveal the role of the atomic interface structure on the nucleation of glissile dislocations from a low-energy, atomically flat, incoherent face-centered cubic body-centered cubic body-centeredh a Kurdjumov–Sacubicrinterface relationship.

Using atomistic simulations, we calculate the effect of SAM and magnesium ions on the folding free energy landscape of the SAM-I riboswitch.

Using atomistic simulations, the thickness and the average density of interphase matrix are determined and the elastic properties of amorphous interphase matrix are characterized as a function of density.

Neek-Amal and Peeters [77] used atomistic simulations to determine the roughness and the thermal properties of a suspended graphane sheet.

Rhodes, N. R., Tschopp, M. A. & Solanki, K. N. Quantifying the energetics and length scales of carbon segregation to α -Fe symmetric tilt grain boundaries using atomistic simulations.

Here we use atomistic simulations to study a surface-stress-induced phase transformation in gold nanowires.