Carlos Rey-losada- University of Santiago de Compostela
Carlos Rey-losada
- University of Santiago de Compostela
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Publications (3)
By using molecular statics, molecular dynamics, and Monte Carlo techniques we validate a previously developed empirical n-body potential adapted to Cu3Au. At T=0 K, predicted cohesive energies, lattice parameters, and elastic constants in CuAu and CuAu3 as well as the formation energy of vacancies in Cu3Au are in good agreement with experimental da...
We present the results of Monte Carlo and Molecular Dynamics simulations of some thermodynamical properties of Cu3Au. The calculations rely on an empirical n-body potential that reproduces satisfactorily the critical temperature, Tc, the temperature dependence of the lattice constant and atomic vibrational amplitudes as well as Cowley's short-range...
Excess molar volumes of n-hexane + n-undecane have been determined from density measurements at 288.15, 293.15, 298.15, 303.15, and 308.15 K. The densities were obtained with an Anton Paar densimeter. The minimum values of V mE for the systems n-hexane, n-heptane, n-octane, and n-nonane + n-undecane are plotted against temperature.
