Equilibrium mechanisms of self-limiting assembly

MF Hagan, GM Grason - Reviews of modern physics, 2021 - APS
Self-assembly is a ubiquitous process in synthetic and biological systems, broadly defined
as the spontaneous organization of multiple subunits (macromolecules, particles, etc.) into …

A perspective on the microscopic pressure (stress) tensor: History, current understanding, and future challenges

K Shi, ER Smith, EE Santiso… - The Journal of Chemical …, 2023 - pubs.aip.org
The pressure tensor (equivalent to the negative stress tensor) at both microscopic and
macroscopic levels is fundamental to many aspects of engineering and science, including …

Overview: Understanding nucleation phenomena from simulations of lattice gas models

K Binder, P Virnau - The Journal of chemical physics, 2016 - pubs.aip.org
Monte Carlo simulations of homogeneous and heterogeneous nucleation in Ising/lattice gas
models are reviewed with an emphasis on the general insight gained on the mechanisms by …

Glass forming ability in systems with competing orderings

J Russo, F Romano, H Tanaka - Physical Review X, 2018 - APS
Some liquids, if cooled rapidly enough to avoid crystallization, can be frozen into a
nonergodic glassy state. The tendency for a material to form a glass when quenched is …

[HTML][HTML] The Young–Laplace equation for a solid–liquid interface

P Montero de Hijes, K Shi, EG Noya… - The Journal of …, 2020 - pubs.aip.org
The application of the Young–Laplace equation to a solid–liquid interface is considered.
Computer simulations show that the pressure inside a solid cluster of hard spheres is …

Thermodynamics of freezing and melting

UR Pedersen, L Costigliola, NP Bailey… - Nature …, 2016 - nature.com
Although the freezing of liquids and melting of crystals are fundamental for many areas of
the sciences, even simple properties like the temperature–pressure relation along the …

Classical nucleation theory description of active colloid assembly

GS Redner, CG Wagner, A Baskaran, MF Hagan - Physical review letters, 2016 - APS
Nonaligning self-propelled particles with purely repulsive excluded volume interactions
undergo athermal motility-induced phase separation into a dilute gas and a dense cluster …

Phase separation and coexistence of hydrodynamically interacting microswimmers

J Blaschke, M Maurer, K Menon, A Zöttl, H Stark - Soft matter, 2016 - pubs.rsc.org
A striking feature of the collective behavior of spherical microswimmers is that for sufficiently
strong self-propulsion they phase-separate into a dense cluster coexisting with a low-density …

Seeding approach to nucleation in the ensemble: The case of bubble cavitation in overstretched Lennard Jones fluids

P Rosales-Pelaez, I Sanchez-Burgos, C Valeriani… - Physical review E, 2020 - APS
Simulations are widely used to study nucleation in first order phase transitions due to the fact
that they have access to the relevant length and time scales. However, simulations face the …

Interfacial free energy and Tolman length of curved liquid–solid interfaces from equilibrium studies

P Montero de Hijes, JR Espinosa… - The Journal of …, 2020 - ACS Publications
In this work, we study by means of simulations of hard spheres the equilibrium between a
spherical solid cluster and the fluid. In the NVT ensemble, we observe stable/metastable …