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SUMMARY:From clustering to demixing: stability of bidisperse ultrasoft sol
 ids - Dr Roshan Maharana
DTSTART:20260223T140000Z
DTEND:20260223T143000Z
UID:TALK245083@talks.cam.ac.uk
CONTACT:Alexander R Epstein
DESCRIPTION:Cluster crystals are a class of solids formed by ultrasoft pa
 rticles that can overlap at finite energy cost\, leading to multiple occup
 ancy at lattice sites. While the thermodynamics of monodisperse cluster cr
 ystals is well understood\, much less is known about their stability and s
 tructural behavior in multicomponent systems. In this work\, we investigat
 e bidisperse cluster crystals interacting via generalized exponential pote
 ntials using Monte Carlo simulations combined with thermodynamic integrati
 on. By computing the lattice-site chemical potential and equilibrium latti
 ce-site density\, we determine the stability region of the FCC cluster pha
 se across densities\, temperatures\, and size ratios. We find that while c
 luster crystals remain thermodynamically stable over a broad parameter ran
 ge\, sufficiently high densities induce pronounced occupancy fluctuations 
 and intracluster demixing. Clusters transition from compositionally mixed 
 states to A-rich and B-rich configurations. A mean-field theory captures t
 his instability and qualitatively reproduces the emergence of demixing.
LOCATION:https://zoom.us/j/92447982065?pwd=RkhaYkM5VTZPZ3pYSHptUXlRSkppQT0
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