Fig. 8: Simulation Methodology.
From: On the mechanistic origins of maximum strength in nanocrystalline metals
Atomistic NC structures of (a) Ni and (b) Ni–P of 6 nm grain average grain size (red: GB atoms, blue: FCC atoms, cyan: HCP atoms, white: P solute atoms; inset shows GB misorientation angle and axis distributions of NC Ni). (c) Schematic representation of the calculation of atomic deformation gradient tensor by approximating continuum material field around each atom using the nearest neighbor list.
