Sökning: onr:"swepub:oai:DiVA.org:kth-290567" >
Effects of local re...
-
Zhang, JingKTH,Materialvetenskap
(författare)
Effects of local relaxation on lattice parameter and elastic properties of Ni-W alloys at high temperature: A first-principles study
Förlag, utgivningsår, omfång ...
Nummerbeteckningar
-
LIBRIS-ID:oai:DiVA.org:kth-290567
-
https://urn.kb.se/resolve?urn=urn:nbn:se:kth:diva-290567URI
Kompletterande språkuppgifter
-
Språk:engelska
-
Sammanfattning på:engelska
Ingår i deldatabas
Klassifikation
-
Ämneskategori:vet swepub-contenttype
-
Ämneskategori:ovr swepub-publicationtype
Anmärkningar
-
Temperature-dependent properties are very useful in modeling the behavior of materials servicing at high temperature such as nickel-based superalloys. Besides, for predicting the mechanical properties of such alloys, experimental data at high temperature are very important, but scarce. For Ni-W alloys, both experimental and computational data are very rare. In this work, first-principles calculations are combined with a quasi-harmonic Debye model to evaluate the Helmholtz free energy of paramagnetic Ni-W binary solid solutions as a function of temperature, volume, and W content. Local relaxation around W atoms, which has often been ignored in electronic structure calculations for alloys, is considered in this work using supercell models. The effect of W on elastic properties has been analyzed, to evaluate the contributions due to local relaxation around W atoms. The calculated trends of bulk modulus and stiffness constants C11 and C12 to increase with W concentration are in good agreement with experimental measurements.
Ämnesord och genrebeteckningar
Biuppslag (personer, institutioner, konferenser, titlar ...)
-
Korzhavyi, Pavel A.,1966-KTH,Materialvetenskap(Swepub:kth)u17nfa0i
(författare)
-
He, JunjingKTH,Materialvetenskap(Swepub:kth)u105m8vh
(författare)
-
KTHMaterialvetenskap
(creator_code:org_t)
Internetlänk