Convex hull: Difference between revisions

Revision as of 14:40, 15 July 2022

Revision as of 15:55, 15 July 2022

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A convex hull in [[thermodynamics]] was identified by [[Josiah Willard Gibbs]] (1873),{{sfnp|Gibbs|1873}} although the paper was published before the convex hull was so named.

In a set of energies of several [[Stoichiometry|stoichiometries]] of a material, only those measurements on the lower convex hull will be stable. When removing a point from the hull and then calculating its distance to the hull, its distance to the new hull represents the degree of stability of the phase.<ref>{{harvtxt|Hautier|2014}}; {{harvtxt|Fultz|2020}}</ref>

For practical applications of the convex hull and related descriptors in materials science, see Reference <ref>{{cite journal |last1=Oses |first1=Corey |last2=Gossett |first2=Eric |last3=Hicks |first3=David |last4=Rose |first4=Frisco |last5=Mehl |first5=Michael J. |last6=Perim |first6=Eric |last7=Takeuchi |first7=Ichiro |last8=Sanvito |first8=Stefano |last9=Scheffler |first9=Matthias |last10=Lederer |first10=Yoav |last11=Levy |first11=Ohad |last12=Toher |first12=Cormac |last13=Curtarolo |first13=Stefano |title=AFLOW-CHULL: Cloud-Oriented Platform for Autonomous Phase Stability Analysis |journal=Journal of Chemical Information and Modeling |date=24 December 2018 |volume=58 |issue=12 |pages=2477–2490 |doi=10.1021/acs.jcim.8b00393}}</ref>.

==History==