Theoretical model for yield strength of monocrystalline Ni3Al by simultaneously considering size and strain rate

To comprehensively describe the size and strain rate dependent yield strength of monocrystalline ductile materials, a theoretical model was established based on the dislocation nucleation mechanism. Taking Ni3Al as an example, the model firstly fits results of molecular dynamics simulations to extract material dependent parameters. Then, a theoretical surface of yield strength is constructed, which is finally verified by available experimental data. The model is further checked by available third part molecular dynamics and experimental data of monocrystalline copper and gold. It is shown that this model can successfully leap over the huge spatial and temporal scale gaps between molecular dynamics and experimental conditions to get the reliable mechanical properties of monocrystalline Ni3Al, copper and gold.

Automated summary

A theoretical model based on the dislocation nucleation mechanism was established to comprehensively describe the size and strain rate dependence of yield strength in monocrystalline ductile materials. Using Ni3Al as an example, the model extracted material-dependent parameters from molecular dynamics simulations and constructed a theoretical surface of yield strength, which was verified by experimental data. The model was further validated using third-party molecular dynamics and experimental data of monocrystalline copper and gold, showing its ability to accurately predict the mechanical properties of these materials.