Open AccessA theory of entropic bonding
Author(s) -
Thi Vo,
Sharon C. Glotzer
Publication year - 2022
Publication title -
proceedings of the national academy of sciences of the united states of america
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 5.011
H-Index - 771
eISSN - 1091-6490
pISSN - 0027-8424
DOI - 10.1073/pnas.2116414119
Subject(s) - polyhedron , valency , statistical physics , chemical physics , crystallization , statistical mechanics , molecule , entropy (arrow of time) , colloidal crystal , materials science , colloid , nanotechnology , theoretical physics , physics , chemistry , thermodynamics , mathematics , quantum mechanics , geometry , philosophy , linguistics
Significance Computer simulations of hard, polyhedrally shaped particles predict a great diversity of complex colloidal crystal structures via self-assembly. The structural similarities between colloidal crystals and atomic crystals suggest that they should be describable within analogous, although different, conceptual frameworks. Like the chemical bonds that hold atoms together in crystals, the statistical, emergent forces that hold together hard colloidal particles should be describable using the language of bonding. Whereas atomic crystals can be predicted a priori by solving Schrödinger’s equation, we present a theory of entropic bonding that permits prediction of colloidal crystals by solving a different eigenvalue equation, facilitated by the use of mathematically constructed shape orbitals analogous to atomic orbitals.