| About this Abstract |
| Meeting |
2020 TMS Annual Meeting & Exhibition
|
| Symposium
|
Hume-Rothery Symposium: Thermodynamics, Phase Equilibria and Kinetics for Materials Design and Engineering
|
| Presentation Title |
On the Intrinsic Alloying Behavior in the A and M Sublattices of MAX Phases |
| Author(s) |
Raymundo Arroyave, Anjana Talapatra, Thien Duong, Miladin Radovic |
| On-Site Speaker (Planned) |
Raymundo Arroyave |
| Abstract Scope |
In this talk, I will present recent results in which the intrinsic alloying behavior of the M and A sublattices in some prototypical 211 and 312 MAX Phases has been investigated from first-principles. Specifically the energetics of the configurational space in these systems is explored through cluster expansions in which the energy of arbitrary configurations is parameterized in terms of their constituent pairs, triples, tetrahedra, etc. This extensive study has already yielded significant insights into the intrinsic alloying trends of several systems: while in some cases there are clear tendencies towards strong ordering, in other cases there are equally strong tendencies towards phase separation, with a sizable fraction of the systems studied exhibiting almost ideal mixing. Observed trends are rationalized in terms of the underlying changes in the electronic structure of the compounds. The alloying trends are also discussed in
terms of their relevance for yet undiscovered MAX solid solutions. |
| Proceedings Inclusion? |
Undecided |