Reversible non-equilibrium phase transformation in amorphous germanium (opens in new tab)

First principles molecular dynamics simulations of germanium reveal a reversible liquid-glass transition below the equilibrium melting point with a wide hysteresis loop. Direct calculation of the liquid and amorphous state free energies, enabled by absolute entropy calculations, verify that the transition is first order in character between two metastable phases. These results lend credence to models of explosive recrystallization from amorphous...