New Cr-Ni-Base Alloy for High-Temperature Applications Designed on the Basis of First Principles Calculations

VI Razumovskiy and D Scheiber and IM Razumovskii and VN Butrim and AS Trushnikova and SB Varlamova and AG Beresnev, ADVANCES IN CONDENSED MATTER PHYSICS, 2018, 9383981 (2018).

DOI: 10.1155/2018/9383981

We use ab initio calculations to analyze the influence of 4d and 5d transition metal alloying elements on cohesive properties of the bulk and a representative grain boundary in Cr within the framework of the Rice-Thomson-Wang approach. The results obtained for Cr are combined with the analogous results for Ni to select Ta and Nb as promising alloying additions to dual-phase (alpha/gamma) Cr-Ni-base high- temperature alloys. Ta and Nb are added to the alloying system of an existing alloy I (Cr-Ni-W-V-Ti) in an attempt to design a chemical composition of a new alloy II (Cr-Ni-W-V-Ti) + (Ta-Nb). Investigation of the microstructure of the Ta-bearing Cr-Ni-alloy reveals a Ta enrichment of large gamma-areas near GBs in alpha-matrix that we consider as potency to increase the cohesive strength of GBs and the cohesive energy of the bulk in gamma-phase. Mechanical testing of alloys I and II demonstrates that the alloy II has improved tensile strength and creep resistance at high temperatures.

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