[HTML][HTML] Dynamical behavior and transport coefficients of the pseudo hard-sphere fluid

LA Nicasio-Collazo, CA Ramírez-Medina… - Physics of …, 2023 - pubs.aip.org
In this work, we employ a recent approach to characterize the hard-sphere (HS) fluid by
means of a continuous interaction potential, commonly referred to as pseudo hard-sphere …

Pseudo hard-sphere viscosities from equilibrium Molecular Dynamics

LA Nicasio-Collazo, CA Ramírez-Medina… - Journal of Physics …, 2023 - iopscience.iop.org
Transport coefficients like shear, bulk and longitudinal viscosities are sensitive to the
intermolecular interaction potential and finite size effects when are numerically determined …

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 …

Thermodynamics, static properties and transport behaviour of fluids with competing interactions

R Perdomo-Pérez, J Martínez-Rivera… - Journal of Physics …, 2022 - iopscience.iop.org
Competing interaction fluids have become ideal model systems to study a large number of
phenomena, for example, the formation of intermediate range order structures, condensed …

The generalized continuous multiple step (GCMS) potential: model systems and benchmarks

J Munguía-Valadez, MA Chávez-Rojo… - Journal of Physics …, 2022 - iopscience.iop.org
The generalized continuous multiple step (GCMS) potential is presented in this work. Its
flexible form allows for repulsive and/or attractive contributions to be encoded through …

Self-diffusion in liquid copper, silver, and gold

N Dubinin - Metals, 2020 - mdpi.com
The recently developed by us semi-analytical representation of the mean spherical
approximation in conjunction with the linear trajectory approximation is applied to the …

Microcanonical-ensemble perturbation theory for thermodynamic and diffusion properties of square-well fluids

A Martínez-Borquez, VM Trejos… - Journal of Molecular …, 2022 - Elsevier
We present results for thermodynamic and diffusion properties of a square-well fluid (SW)
using the Microcanonical-Ensemble perturbation theory (MEPT)[Mol. Phys. 116, 351 (2018)] …

Thermodynamic and transport properties of triangular-well fluids from molecular dynamics

VM Trejos, EA Robles-Ruiz, A Torres-Carbajal - Molecular Physics, 2024 - Taylor & Francis
Thermodynamic and transport properties of particles interacting via the triangular-well
potential in the range of 1.4≤ λ≤ 2.6 have been studied using perturbation theory and …

Interfacial properties of square-well chains from molecular dynamics simulation

J Algaba, A Morales-Aragon… - Molecular …, 2023 - Taylor & Francis
Square-well (SW) potential is likely the simplest potential describing attractive and repulsive
interactions. However, its discontinuous functional form makes it difficult to be used in …

Brownian-molecular dynamic correspondence in two-dimensional hard-disk fluids

A Torres-Carbajal, FJ Sevilla… - Molecular …, 2024 - Taylor & Francis
It has been both experimentally and theoretically observed that the structural and dynamical
properties of glass-forming fluids can be scaled and described within the dynamic …