First-principles study of He behavior in a NiCoFeCr concentrated solid–solution alloy

References

• Yeh J-W, Chen S-K, Lin S-J, et al. Nanostructured high-entropy alloys with multiple principal elements: novel alloy design concepts and outcomes. Adv Eng Mater. 2004;6:299–303. doi: 10.1002/adem.200300567
   Web of Science ®Google Scholar
• Cantor B. Multicomponent and high entropy alloys. Entropy. 2014;16:4749–4768. doi: 10.3390/e16094749
   Web of Science ®Google Scholar
• Zhang Y, Zhao S, Weber WJ, et al. Atomic-level heterogeneity and defect dynamics in concentrated solid-solution alloys. Curr Opin Solid State Mater Sci. 2017;21:221–237. doi: 10.1016/j.cossms.2017.02.002
   Web of Science ®Google Scholar
• Zhang Y, Jin K, Xue H, et al. Influence of chemical disorder on energy dissipation and defect evolution in advanced alloys. J Mater Res. 2016;31:2363–2375. doi: 10.1557/jmr.2016.269
   Web of Science ®Google Scholar
• Gludovatz B, Hohenwarter A, Catoor D, et al. A fracture-resistant high-entropy alloy for cryogenic applications. Science. 2014;345:1153–1158. doi: 10.1126/science.1254581
   PubMed Web of Science ®Google Scholar
• Zinkle SJ, Was GS. Materials challenges in nuclear energy. Acta Mater. 2013;61:735–758. doi: 10.1016/j.actamat.2012.11.004
   Web of Science ®Google Scholar
• Yan Z, Liu S, Xia S, et al. He behavior in Ni and Ni-based equiatomic solid solution alloy. J Nucl Mater. 2018;505:200–206. doi: 10.1016/j.jnucmat.2018.04.009
   Web of Science ®Google Scholar
• Chen D, Tong Y, Li H, et al. Helium accumulation and bubble formation in FeCoNiCr alloy under high fluence He+ implantation. J Nucl Mater. 2018;501:208–216. doi: 10.1016/j.jnucmat.2018.01.041
   Web of Science ®Google Scholar
• Chen D, Tong Y, Wang J, et al. Microstructural response of He+ irradiated FeCoNiCrTi0.2 high-entropy alloy. J Nucl Mater. 2018;510:187–192. doi: 10.1016/j.jnucmat.2018.08.006
   Web of Science ®Google Scholar
• Tsai K-Y, Tsai M-H, Yeh J-W. Sluggish diffusion in Co–Cr–Fe–Mn–Ni high-entropy alloys. Acta Mater. 2013;61:4887–4897. doi: 10.1016/j.actamat.2013.04.058
   Web of Science ®Google Scholar
• Zhao S, Egami T, Stocks GM, et al. Effect of d electrons on defect properties in equiatomic NiCoCr and NiCoFeCr concentrated solid solution alloys. Phys Rev Mater. 2018;2:013602. doi: 10.1103/PhysRevMaterials.2.013602
   Web of Science ®Google Scholar
• Blöchl PE. Projector augmented-wave method. Phys Rev B. 1994;50:17953. doi: 10.1103/PhysRevB.50.17953
   PubMed Web of Science ®Google Scholar
• Kresse G, Furthmüller J. Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set. Comput Mater Sci. 1996;6:15–50. doi: 10.1016/0927-0256(96)00008-0
   Web of Science ®Google Scholar
• Perdew JP, Chevary JA, Vosko SH, et al. Atoms, molecules, solids, and surfaces: applications of the generalized gradient approximation for exchange and correlation. Phys Rev B. 1992;46:6671–6687. doi: 10.1103/PhysRevB.46.6671
   PubMed Web of Science ®Google Scholar
• Vosko SH, Wilk L, Nusair M. Accurate spin-dependent electron liquid correlation energies for local spin density calculations: a critical analysis. Can J Phys. 1980;58:1200–1211. doi: 10.1139/p80-159
   Web of Science ®Google Scholar
• Cowley JM. Short-range order and long-range order parameters. Phys Rev. 1965;138:A1384. doi: 10.1103/PhysRev.138.A1384
   Google Scholar
• Cowley JM. An approximate theory of order in alloys. Phys Rev. 1950;77:669. doi: 10.1103/PhysRev.77.669
   Web of Science ®Google Scholar
• Zhao S, Stocks GM, Zhang Y. Stacking fault energies of face-centered cubic concentrated solid solution alloys. Acta Mater. 2017;134:334–345. doi: 10.1016/j.actamat.2017.05.001
   Web of Science ®Google Scholar
• Henkelman G, Uberuaga BP, Jónsson H. A climbing image nudged elastic band method for finding saddle points and minimum energy paths. J Chem Phys. 2000;113:9901–9904. doi: 10.1063/1.1329672
   Web of Science ®Google Scholar
• Hepburn DJ, Ferguson D, Gardner S, et al. First-principles study of helium, carbon, and nitrogen in austenite, dilute austenitic iron alloys, and nickel. Phys Rev B. 2013;88:024115. doi: 10.1103/PhysRevB.88.024115
   Web of Science ®Google Scholar
• Zu XT, Yang L, Gao F, et al. Properties of helium defects in bcc and fcc metals investigated with density functional theory. Phys Rev B. 2009;80:054104. doi: 10.1103/PhysRevB.80.054104
   Web of Science ®Google Scholar
• Connétable D, Andrieu É, Monceau D. First-principles nickel database: energetics of impurities and defects. Comput Mater Sci. 2015;101:77–87. doi: 10.1016/j.commatsci.2015.01.017
   Web of Science ®Google Scholar
• Philipps V, Sonnenberg K. Interstitial diffusion of He in nickel. J Nucl Mater. 1983;114:95–97. doi: 10.1016/0022-3115(83)90076-4
   Web of Science ®Google Scholar
• Zhao S, Stocks GM, Zhang Y. Defect energetics of concentrated solid-solution alloys from ab initio calculations: Ni0.5Co0.5, Ni0.5Fe0.5, Ni0.5Fe0.5 and Ni0.5Cr0.5. Phys Chem Chem Phys. 2016;18:24043–24056. doi: 10.1039/C6CP05161H
   PubMed Web of Science ®Google Scholar
• Mansur LK, Lee EH, Maziasz PJ, et al. Control of helium effects in irradiated materials based on theory and experiment. J Nucl Mater. 1986;141–143:633–646. doi: 10.1016/0022-3115(86)90066-8
   Web of Science ®Google Scholar
• Fu C-C, Willaime F. Ab initio study of helium in α − Fe : Dissolution, migration, and clustering with vacancies. Phys Rev B. 2005;72:064117. doi: 10.1103/PhysRevB.72.064117
   Web of Science ®Google Scholar
• Trinkaus H, Singh B. Helium accumulation in metals during irradiation—where do we stand? J Nucl Mater. 2003;323:229–242. doi: 10.1016/j.jnucmat.2003.09.001
   Web of Science ®Google Scholar