The structure and thermodynamics of pure amorphous Cu is studied with
molecular dynamics, Monte Carlo and quasi-harmonic calculations using
the embedded atom method. The pair distribution function, atomic volum
e, thermal expansion, enthalpy, entropy, and Gibbs free energy are cal
culated for the crystalline, liquid and amorphous phases. The glass tr
ansition temperature of the amorphous phase is found to be approximate
ly 400 K (similar to 0.3T(m)). The free energy difference between the
amorphous and supercooled liquid phases was determined to be at most 0
.01 eV per atom. The free energy of the liquid and crystalline phases
in our calculation is found to agree within 0.4% of experiment over th
e temperature range 400-2200 K. The free energy of the glass is found
to be fairly well described by the simple Turnbull model. This is the
first atomic-level calculation of the free energy of a metallic glass.