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New generation of Ni-based superalloys designed on the basis of first-principles calculations
KTH, Skolan för industriell teknik och management (ITM), Materialvetenskap, Tillämpad materialfysik.
KTH, Skolan för industriell teknik och management (ITM), Materialvetenskap, Tillämpad materialfysik.
Vise andre og tillknytning
2008 (engelsk)Inngår i: Materials Science & Engineering: A, ISSN 0921-5093, E-ISSN 1873-4936, Vol. 497, nr 1-2, s. 18-24Artikkel i tidsskrift (Fagfellevurdert) Published
Abstract [en]

A new approach to the design of Ni-based single crystal superalloys is proposed. It is based on a concept that under given structural conditions, the creep-rupture characteristics of superalloys are mainly determined by interatomic bonding given by the cohesive energy. In order to characterize the individual contribution of each alloying element to the strength properties at high temperature, we introduce a parameter, X, which is the partial molar cohesive energy of an alloy component. This parameter is then obtained in the total energy first-principles calculations for a usual set of alloying elements. We demonstrate that creep-rupture characteristics of alloys indeed correlate with the total gain partial molar cohesive energy due to alloying and find that W, Ta, and Re have the highest values of X, and should therefore play the major role in providing high-temperature strength of superalloys. Based on this finding, we design three new superalloys with a high content of W and show that they have superior creep-rupture properties compared not only with their counterparts with the lower content of W, but also with the best Ru-bearing Ni-based superalloys.

sted, utgiver, år, opplag, sider
2008. Vol. 497, nr 1-2, s. 18-24
Emneord [en]
Ni-based, Superalloys, Single crystal, electron-gas, diffusion, gamma-gamma', boundaries, alloy
HSV kategori
Identifikatorer
URN: urn:nbn:se:kth:diva-18075DOI: 10.1016/j.msea.2008.08.013ISI: 000262033300003Scopus ID: 2-s2.0-53349164517OAI: oai:DiVA.org:kth-18075DiVA, id: diva2:336121
Merknad
QC 20100525 QC 20111201Tilgjengelig fra: 2010-08-05 Laget: 2010-08-05 Sist oppdatert: 2017-12-12bibliografisk kontrollert

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Ruban, Andrei V.Razumovskiy, Vsevolod I.Johansson, Börje
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