625 citations · 1.2k across the 21 of their papers we have counts for
6 papers · 1 filter
Observation of Al41Sm5: new evidence for structural hierarchy in Al-Sm alloys
Z. Ye, F. Meng, F. Zhang +9
Using an effective genetic algorithm, we uncover the structure of a metastable Al41Sm5 phase that supplements its family sharing similar short-range orders. The phase evolves upon…
Effect of Ag and Zr solutes on dislocation emission from the Σ11(332)[110] symmetric tilt grain boundary in fcc Cu
Valery Borovikov, Mikhail I. Mendelev, Alexander H. King
Addition of solutes is commonly used to stabilize nanocrystalline materials against grain growth. However, segregating at grain boundaries, these solutes also affect the process of…
A self-contained algorithm for determination of solid-liquid equilibria in an alloy system
Lin Yang, Yang Sun, Zhuo Ye +4
We describe a self-contained procedure to evaluate the free energy of liquid and solid phases of an alloy system. The free energy of a single-element solid phase is calculated with…
Nucleation of stoichiometric compounds from liquid: the role of the kinetic factor
H. Song, Y. Sun, F. Zhang +3
While the role of the free energy barrier during nucleation is a text-book subject the importance of the kinetic factor is frequently underestimated. We obtained both quantities fr…
Solute effects on interfacial dislocation emission in nanomaterials: nucleation site competition and neutralization
Valery Borovikov, Mikhail I. Mendelev, Alexander H. King
Interfacial nucleation is the dominant process of dislocation generation during the plastic deformation of nano-crystalline materials. Solute additions intended to stabilize nano-c…
Overcoming the time limitation in Molecular Dynamics simulation of crystal nucleation: a persistent-embryo approach
Yang Sun, Huajing Song, Feng Zhang +5
The crystal nucleation from liquid in most cases is too rare to be accessed within the limited timescales of the conventional molecular dynamics (MD) simulation. Here, we developed…