Bulletin of the American Physical Society
APS March Meeting 2019
Volume 64, Number 2
Monday–Friday, March 4–8, 2019; Boston, Massachusetts
Session A57: Physics of Liquids I
8:00 AM–10:12 AM,
Monday, March 4, 2019
BCEC
Room: 256
Sponsoring
Units:
GSNP GSOFT
Chair: Yang Zhang, University of Illinois at Urbana-Champaign
Abstract: A57.00006 : A new scenario describing `water-like` thermodynamic anomalies - the double liquid-liquid critical point scenario*
9:24 AM–9:36 AM
Presenter:
Domagoj Fijan
(Department of Chemistry, University of Oxford)
Authors:
Domagoj Fijan
(Department of Chemistry, University of Oxford)
Mark Wilson
(Department of Chemistry, University of Oxford)
origin and implications for nature of the liquid (and other similar states). The widely accepted thermodynamic scenario that describes this behaviour in water models and Stillinger-Weber (SW) potential silicon is the second (liquid-liquid) critical point (LLCP) scenario. In this work we present simulation evidence for a novel scenario in wide range of SW liquids. In this scenario the locus of liquid density anomalies (the density minimum and maximum) encloses a region of thermodynamic space with two liquid-liquid critical points connected by a first order transition. We scan the parameter space of the SW potential (tetrahedrality and ideal bond angle parameter) and observe limiting instances where density anomalies disappear. We observe the interactions of density anomaly with the compressibility anomaly, heat capacity anomaly and spinodal line and confirm they show thermodynamically consistent behaviour.
*Domagoj Fijan acknowledges financial support from Clarendon scholarship, St Edmund Hall (University of Oxford), Japan Society for Promotion of Science Short-Term Fellowship and EPSRC Centre for Doctoral training - Theory and Modelling in Chemical Sciences, under grant EP/L015722/1.
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