Isothermal bulk modulus, linear coefficient of thermal expansion, thermodynamic Gruneisen parameter and constant pressure specific heat have been computed for Cu and Al throughout a wide range of temperatures. The authors use a perturbative Helmholtz free energy as a function of the strain parameters. The Brillouin sums are carried out exactly. The atomic interactions are modelled according to a force constant potential: angular forces and long-range central forces are included in the harmonic part of the potential, while the anharmonic part is first-neighbours ranged. The model is shown to be successful in describing both the thermoelastic and the caloric properties.
Thermodynamic properties of FCC metals: Cu and Al
ZOLI, Marco;
1990-01-01
Abstract
Isothermal bulk modulus, linear coefficient of thermal expansion, thermodynamic Gruneisen parameter and constant pressure specific heat have been computed for Cu and Al throughout a wide range of temperatures. The authors use a perturbative Helmholtz free energy as a function of the strain parameters. The Brillouin sums are carried out exactly. The atomic interactions are modelled according to a force constant potential: angular forces and long-range central forces are included in the harmonic part of the potential, while the anharmonic part is first-neighbours ranged. The model is shown to be successful in describing both the thermoelastic and the caloric properties.I documenti in IRIS sono protetti da copyright e tutti i diritti sono riservati, salvo diversa indicazione.
