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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 …
models are reviewed with an emphasis on the general insight gained on the mechanisms by …
Crystallization of hard spheres revisited. II. Thermodynamic modeling, nucleation work, and the surface of tension
Combining three numerical methods (forward flux sampling, seeding of droplets, and finite-
size droplets), we probe the crystallization of hard spheres over the full range from close to …
size droplets), we probe the crystallization of hard spheres over the full range from close to …
The phase coexistence method to obtain surface free energies and nucleation barriers: a brief review
ABSTRACT A recently developed method where one analyses the finite size effects
associated with liquid–solid phase equilibria including vapour–crystal coexistence is briefly …
associated with liquid–solid phase equilibria including vapour–crystal coexistence is briefly …
[HTML][HTML] Alternating one-phase and two-phase crystallization mechanisms in octahedral patchy colloids
A Garaizar, T Higginbotham… - The Journal of …, 2022 - pubs.aip.org
Colloidal systems possess unique features to investigate the governing principles behind
liquid-to-solid transitions. The phase diagram and crystallization landscape of colloidal …
liquid-to-solid transitions. The phase diagram and crystallization landscape of colloidal …
Bridging and depletion mechanisms in colloid-colloid effective interactions: A reentrant phase diagram
A general class of nonadditive sticky-hard-sphere binary mixtures, where small and large
spheres represent the solvent and the solute, respectively, is introduced. The solute-solute …
spheres represent the solvent and the solute, respectively, is introduced. The solute-solute …
Free-energy barriers for crystal nucleation from fluid phases
Monte Carlo simulations of crystal nuclei coexisting with the fluid phase in thermal
equilibrium in finite volumes are presented and analyzed, for fluid densities from dense …
equilibrium in finite volumes are presented and analyzed, for fluid densities from dense …
Chemical potential and thermodynamic properties of self-assembled monolayers: a method of external fields in a Monte Carlo simulation
EA Ustinov, VA Gorbunov… - The Journal of Physical …, 2020 - ACS Publications
This study presents a method of external fields to determine thermodynamic characteristics
of rigid crystalline phases in the framework of a kinetic Monte Carlo algorithm. The method is …
of rigid crystalline phases in the framework of a kinetic Monte Carlo algorithm. The method is …
From simulation to thermodynamics of orientational transitions in molecular layers: Nitrogen contact layer on solids
Orientational ordering is a well-known feature of polyatomic molecules in contact layers on
solid surfaces. The majority of reported results refer to systems significantly depended on …
solid surfaces. The majority of reported results refer to systems significantly depended on …
Quantum scattering by nonspherical objects
PM Krassovitskiy, FM Pen'kov - Bulletin of the Russian Academy of …, 2017 - Springer
The problem of scattering by spherically asymmetric potentials is considered where angular
momentum not only ceases to be a conserved quantity but is also not a convenient basis for …
momentum not only ceases to be a conserved quantity but is also not a convenient basis for …
A fundamental measure density functional for fluid and crystal phases of the Asakura–Oosawa model
We investigate a density functional for the Asakura–Oosawa model of colloid-polymer
mixtures, describing both fluid and crystal phases. It is derived by linearizing the two …
mixtures, describing both fluid and crystal phases. It is derived by linearizing the two …