Abstract
The famous sequence of precipitates which form upon heat treating Al-Cu is part of nearly every metallurgical textbook. Numerous precipitation (and other) experiments have led to a long-standing belief that the energetic ground state of is the phase. Modern first-principles calculations at surprisingly predict the energy of the observed phase to be higher than that of its metastable counterpart, . We show that vibrational entropy reverses this energetic preference at , resolves the apparent discrepancy between theory and experiment, and hence plays a critical (but previously unsuspected) role in the precipitation sequence.
- Received 7 November 2000
DOI:https://doi.org/10.1103/PhysRevLett.86.5518
©2001 American Physical Society