Atomistic investigation on initiation of stress corrosion cracking of polycrystalline Ni60Cr30Fe10 alloys under high-temperature water by reactive molecular dynamics simulation
Xiaolong Liu, Sung-Yup Kim, Seung Hwan Lee, Boyoung Lee
Topics & Concepts
ReaxFFMaterials scienceMolecular dynamicsGrain boundaryStress corrosion crackingCorrosionCrystal twinningCrystalliteMetallurgyAlloyComposite materialChemistryComputational chemistryInteratomic potentialMicrostructureHigh Temperature Alloys and CreepHydrogen embrittlement and corrosion behaviors in metalsAdvanced materials and composites