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We predict the critical resolved shear stress (CRSS) for slip for all the studied configurations encompassing random and SRO structures and discuss the effect of SRO on the flow stress. The proposed ML (machine learning) methodology provides atomic ar- rangements from target order parameters with high accuracy, thereby eliminating the need for expensive sim- ulations, and it advances the understanding of SRO at the atomistic scale.more » « lessFree, publicly-accessible full text available March 1, 2026
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You, Daegun; Celebi, Orcun Koray; Gengor, Gorkem; Mohammed, Ahmed_Sameer Khan; Abuzaid, Wael; Sehitoglu, Huseyin (, International Journal of Plasticity)NA (Ed.)Short-range order (SRO) has a crucial impact on the mechanical strength of metallic alloys. Recent atomistic investigations defined an average SRO and attempted to correlate it with the yield strength. We propose that the local change in SRO upon slip advance must dictate the strengthening, and we elaborate the methodology to establish the “SRO change” on a slip plane considering the Wigner-Seitz cell. The model captures the variation of lattice resistance (Critical Resolved Shear Stress; CRSS) in the crystal as the SRO changes depending on the probability of neighboring atoms. The methodology was applied to Ni-V binary alloys for a wide range of compositions and stacking fault widths. The complex variation of CRSS with compositional variations shows good agreement with limited experimental results.more » « less
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