3 papers
cond-mat.soft2019
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…
cond-mat.stat-mech2018
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…
cond-mat.stat-mech2018
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…