Phonons in aluminum at high temperatures studied by inelastic neutron scattering

Abstract

Inelastic neutron scattering measurements on aluminum metal were performed at temperatures of 10, 150, 300, 525, and 775 K using direct-geometry Fermi chopper spectrometers. The temperature dependent phonon density of states (DOS) was determined from the scattering, and was used to fit Born–von Kármán models of lattice dynamics. The shifts in the phonon frequencies with increasing temperature were largely explained by the softening of the longitudinal force constants out to third nearest neighbors. A significant broadening of the phonon spectra at high temperatures was also measured. The phonon DOS was used to determine the vibrational contributions to the entropy of aluminum as a function of temperature. All other contributions to the entropy of aluminum were calculated or assessed, and the total entropy was in excellent agreement with the NIST-JANAF compilation [M. W. Chase, J. Phys. Chem. Ref. Data Monogr. 9, 59 (1998)]. Anharmonic effects were attributed to phonon-phonon interactions. The quasiharmonic approximation was generally successful, but its weaknesses are discussed.