10 citations · 34 across the 7 of their papers we have counts for
7 papers
The Uhlenbeck-Ford model in two dimensions: Reference system for fluid-phase free-energy calculations
Samuel Cajahuaringa, Rodolfo Paula Leite, Maurice de Koning
We investigate the Uhlenbeck-Ford (UF) model as a reference system for free-energy calculations in two-dimensional (2D) fluids. The 2D virial coefficients are computed exactly up t…
Defects, Corrugation and Temperature Govern Rarefied-Air Drag on Graphene Coatings
Samuel Cajahuaringa, Davide Bidoggia, Maria Peressi +1
In rarefied atmospheric environments, where continuum fluid dynamics breaks down, aerodynamic drag is governed by gas-surface momentum exchange, making surface structure and chemis…
Nonequilibrium free-energy calculation of phase-boundaries using LAMMPS
Samuel Cajahuaringa, Alex Antonelli
We present a guide to compute the phase-boundaries of classical systems using a dynamic Clausius-Clapeyron integration (dCCI) method within the LAMMPS (Large-scale Atomic/Molecular…
Revisiting the fragile-to-strong crossover in metallic glass-forming liquids: application to CuZrAl
René Alvarez Donado, Samuel Cajahuaringa, Alex Antonelli
The fragile-to-strong crossover seems to be a general feature of metallic glass-forming liquids. Here, we study the behavior of shear viscosity, diffusion coefficient and vibration…
Nonequilibrium free energy methods applied to magnetic systems: the degenerate Ising model
Samuel Cajahuaringa, Alex Antonelli
In this paper, we review the physical concepts of the nonequilibrium techniques for the calculation of free energies applied to magnetic systems using Monte Carlo simulations of di…
Stochastic sampling of the isothermal-isobaric ensemble: phase diagram of crystalline solids from molecular dynamics simulation
Samuel Cajahuaringa, Alex Antonelli
A methodology to sample the isothermal-isobaric ensemble using Langevin dynamics is proposed, which combines novel features of geometric integrators for the equations of motion. By…
Revisiting Dynamics Near a Liquid-Liquid Phase Transition in Si and Ga: The Fragile-to-Strong Transition
Samuel Cajahuaringa, Maurice de Koning, Alex Antonelli
Using molecular dynamics simulations we analyze the dynamics of two atomic liquids that display a liquid-liquid phase transition (LLPT): Si described by the Stillinger-Weber potent…