Order-disorder transformations hold an essential place in chemically complex high-entropy ferritic-steels (HEFSs) due to their critical technological application. The chemical inhomogeneity arising from mixing of multi-principal elements of varying chemistry can drive property altering changes at the atomic scale, in particular short-range order. Using density-functional theory based linear-response theory, we predict the effect of compositional tuning on the order-disorder transformation in ferritic steels -focusing on Cr-Ni-Al-Ti-Fe HEFSs. We show that Ti content in Cr-Ni-Al-Ti-Fe solid solutions can be tuned to modify short-range order that changes the order-disorder path from BCC-B2 (Ti atomic-fraction = 0) to BCC-B2-L21 (Ti atomic-faction $>$ 0) consistent with existing experiments. Our study suggests that tuning degree of SRO through compositional variation can be used as an effective means to optimize phase selection in technologically useful alloys.
Evaluation of hydrogen diffusion and trapping in ferritic steels containing (Ti,Cr)C particles using electrochemical permeation and thermal desorption spectroscopy
Grain boundary segregation of light elements and their effects on cohesion in ferritic steels
Max Planck Institute for Sustainable Materials（马克斯·普朗克可持续材料研究所）；The University of Sydney（悉尼大学）；BAM Federal Institute for Materials Research and Testing（德国联邦材料研究与测试研究所）
Effects of mechanical stress, chemical potential, and coverage on hydrogen solubility during hydrogen-enhanced decohesion of ferritic steel grain boundaries: A first-principles study
Physics-informed neural network for predicting fatigue life of unirradiated and irradiated austenitic and ferritic/martensitic steels under reactor-relevant conditions
Extreme Environments Materials Group (EEMG), Department of Materials Engineering, Indian Institute of Science (IISc)（极端环境材料组（EEMG）、材料工程系、印度科学研究院（IISc））；Department of Materials, University of Oxford（材料系、牛津大学）；Robert Bosch Centre for Cyberphysical Systems, Indian Institute of Science (IISc)（罗伯特·博世网络物理系统中心、印度科学研究院（IISc））
Near-atomic investigation on the elemental redistribution during co-precipitation of nano-sized kappa phase and B2 phase in an Al-alloyed lightweight steel
University of Kassel（卡塞尔大学）；RWTH Aachen University（亚琛工业大学）
Concentration-Dependent Tungsten Effects on Chemical Short-Range Order and Deformation Behavior in Ni-W alloys
Central Iron and Steel Research Institute（钢铁研究总院）；Northwestern University（西北大学）；University of Virginia（弗吉尼亚大学）；Hebei University（河北大学）；Xiangtan University（湘潭大学）；Yangjiang Advanced Alloys Laboratory（阳江先进合金实验室）；Northwestern University Center for Atom Probe Tomography (NUCAPT)（西北大学原子探针断层扫描中心 (NUCAPT)）；The NUANCE Center, Northwestern University（西北大学NUANCE中心）
