A Molecular Dynamics Study of Size Effects for Critical Resolved Shear Stress in Nickel Superalloys (2504.16409v2)

Abstract: We present in this work a molecular dynamics study of a size effect relating to the volume fraction of gamma-prime precipitate of edge dislocation motion in a simple model of Nickel superalloys. We model the superalloy as periodically spaced cubic gamma-prime precipitates inside a uniform gamma matrix. We then analyze the motion of paired edge dislocations in the gamma phase when subject to an external shear stress for various volume fractions of the gamma-prime precipitate for a wide range of temperatures, from 300 K to 700 K. While the variation of dislocation velocity is not significant, the critical resolved shear stress is found to exhibit a power law dependence on the volume fraction of the gamma-prime precipitate with two distinct regimes which have similar exponent but markedly different prefactors; we also observe that this two-regime behavior remains true across a wide range of temperatures. We present a detailed analysis of this behavior and reduce it to a linear dependence of the critical resolved shear stress on the length of the gamma-prime precipitate along the direction of dislocation motion. We further identify the critical length scale underlying the transition between the two observed regimes as the total core width of the paired dislocations in a pure gamma-prime system, which includes in addition to the complex stacking fault separating the partials of the paired dislocations the width of the anti-phase boundary that is formed between the super-dislocations. The results presented in this work provides new details on the strengthening effect of gamma-prime precipitates in nickel superalloys and also has important implications for larger scale dislocation dynamics studies for nickel superalloys.