Distribution of differential alloy concentration in the middle section of the phase field simulation box from to .
A statistical method for measuring the diameter of a ligament. (a) Schematic of a cylinder with the geometrical parameters involved, (b) distribution of the secant line length, and (c) comparison of the calculated result and exact value.
Phase field method for generating the molecular dynamics simulation model of nanoporous materials with bicontinuous microstructure. (a) Distribution of the secant line lengths, where the value with the maximal frequency corresponds to the average ligament diameter. (b) Evolution of the average ligament diameter with the phase field simulation time.
Atomic configuration of a relaxed np-Au sample with the average ligament diameter of d = 3.26 nm and relative mass density of ρ = 0.30.
The stress-strain curves of np-Au samples for (a) type I samples with fixed ligament diameter of d = 3.26 nm but different relative densities of 0.24, 0.27, 0.30, 0.33, and 0.36, and (b) type II samples with fixed relative mass density of 0.30 but different ligament diameters d = 2.45, 2.86, 3.26, 3.67, and 4.08 nm, respectively.
Deformation characteristics of np-Au with relative mass density 0.30 and average ligament diameter d = 3.26 nm. (a) Variations of stress (left ordinate, blue) and surface atom number (right ordinate, red) with the applied strain . (b) The hcp atom fraction as a function of the strain .
Evolution of dislocations and microstructure in a np-Au sample under different applied strains: (a) , (b) , (c) , and (d) . A slab between planes nm and nm is shown. The loading direction is in the vertical axis, and atoms are colored according to the CNA method.
A sequence of snapshots for deformation and rupture of a typical ligament under different strains: (a) , (b) , (c) , (d) , and (e) .
(a) Nucleation of dislocations at a junction (circle) and (b) formation of a Lomer–Cottrell dislocation lock due to the reaction of two extended dislocations.
Average properties of np-Au as a function of the relative mass density: (a) the effective Young's modulus; (b) the yield strength and the ultimate strength. Here, , , and are normalized by their corresponding values , , and at , respectively.
Relationship between the ultimate strength and the average ligament diameter of np-Au.
Mechanical properties of np-Au samples from molecular dynamics simulations.
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