Solid solution mechanism and thermodynamic properties of Ti–Re alloy system: Experiment and theory

Wu, Yaowen; Hu, Wangyu; Yang, Shanglei; Song-nian, Lou

doi:10.1016/j.intermet.2007.01.007

Cited by 3 publications

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References 11 publications

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“…Hexagonal Fe/Re multilayer structures were studied due to their peculiar magnetic properties . Amorphization processes in the equilibrium immiscible Cu−Re system and solid solution structures in the Re−Ti system were also investigated using ab initio calculations. Rhenium’s importance as a catalytic agent and the recent increased interest in intermetallic catalysts have led to DFT studies of its surface and nanoparticle properties, as well as of some alloys and surface alloys with platinum group metals (PGMs). − ,, These studies emphasize the need to evaluate the stability of new potential alloy catalysts.…”

Section: Introductionmentioning

confidence: 99%

Ordered Structures in Rhenium Binary Alloys from First-Principles Calculations

et al. 2010

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Rhenium is an important alloying agent in catalytic materials and superalloys, but the experimental and computational data on its binary alloys are sparse. Only 6 out of 28 Re transition-metal systems are reported as compound-forming. Fifteen are reported as phase-separating, and seven have high-temperature disordered σ or χ phases. Comprehensive high-throughput first-principles calculations predict stable ordered structures in 20 of those 28 systems. In the known compound-forming systems, they reproduce all the known compounds and predict a few unreported ones. These results indicate the need for an extensive revision of our current understanding of Re alloys through a combination of theoretical predictions and experimental validations. The following systems are investigated: AgRe(★), AuRe(★), CdRe(★), CoRe, CrRe(★), CuRe(★), FeRe, HfRe, HgRe(★), IrRe, MnRe, MoRe, NbRe, NiRe, OsRe, PdRe, PtRe, ReRh, ReRu, ReSc, ReTa, ReTc, ReTi, ReV, ReW(★), ReY, ReZn(★), and ReZr ((★) = systems in which the ab initio method predicts that no compounds are stable).

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