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SUMMARY:Order within disorder: approaching phase boundaries in high-entrop
 y systems - Stefano Curtarolo\, Duke University
DTSTART:20201105T140000Z
DTEND:20201105T150000Z
UID:TALK153094@talks.cam.ac.uk
CONTACT:Jan Behrends
DESCRIPTION:Critical understanding of large amount of data exposes the una
 voidability of disorder and leads to new descriptors for discovering entro
 pic materials. The formalism\, going beyond the ideal-disorder and infinit
 e-temperature limits of the SQS approach\, is based on the ensemble-energy
  spectrum of randomized calculations [Chem. Mater. 28\, 6484 (2016)]. It c
 aptures the accessibility of homogeneously sampled states near stability a
 nd it is able to quantify disordered precursors capable of stabilizing hig
 h-entropy homogeneous phases. The methodology - applied to disordered tran
 sition-metal oxides (Entropy Stabilized Oxides [Nat. Comms 6\, 8485 (2015)
 ]) and refractory 5-metal carbides (high-hardness\, high-melting point app
 lications [Nat. Comms 9\, 4980 (2018)]) – uncovers scientific surprises 
 [Nat. Rev. Mater. 5\, 295 (2020)]. Directions for entropic reciprocal cera
 mics are also discussed.
LOCATION:Details of video conferencing will be distributed nearer the time
 .
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