Colloidal hard spheres: Triumphs, challenges, and mysteries

CP Royall, P Charbonneau, M Dijkstra, J Russo… - Reviews of Modern …, 2024 - APS
The simplicity of hard spheres as a model system is deceptive. Although the particles
interact solely through volume exclusion, that nevertheless suffices for a wealth of static and …

Comparing four hard-sphere approximations for the low-temperature WCA melting line

E Attia, JC Dyre, UR Pedersen - The Journal of Chemical Physics, 2022 - pubs.aip.org
By combining interface-pinning simulations with numerical integration of the Clausius–
Clapeyron equation, we accurately determine the melting-line coexistence pressure and …

From atoms to colloids: Does the Frenkel line exist in discontinuous potentials?

CG Pruteanu, MN Bannerman, M Kirsz, L Lue… - ACS …, 2023 - ACS Publications
The Frenkel line has been proposed as a crossover in the fluid region of phase diagrams
between a “nonrigid” and a “rigid” fluid. It is generally described as a crossover in the …

A simple and accurate method to determine fluid–crystal phase boundaries from direct coexistence simulations

F Smallenburg, G Del Monte, M de Jager… - The Journal of Chemical …, 2024 - pubs.aip.org
One method for computationally determining phase boundaries is to explicitly simulate a
direct coexistence between the two phases of interest. Although this approach works very …

[HTML][HTML] Molecular dynamics study of six-dimensional hard hypersphere crystals

L Lue, M Bishop, PA Whitlock - The Journal of Chemical Physics, 2021 - pubs.aip.org
Six-dimensional hard hypersphere systems in the A 6, D 6, and E 6 crystalline phases have
been studied using event-driven molecular dynamics simulations in periodic, skew cells that …

Tethered hard spheres: A bridge between the fluid and solid phases

J MacKinnon, MN Bannerman, L Lue - The Journal of Chemical …, 2022 - pubs.aip.org
The thermodynamics of hard spheres tethered to a Face-Centered Cubic (FCC) lattice is
investigated using event-driven molecular-dynamics. The particle–particle and the particle …