Glass transition phenomenology and flexibility: An approach using the energy landscape formalism

The thermodynamic phenomenology of the glass transition in chalcogenide glasses is studied by using rigidity theory, which treats covalent bondine as mechanical constraints. Since flexible systems have a certain number of nearly zero frequency modes (called floppy modes), these modes provide channels in the energy landscape of the glass, and as a consequence, the entropy and fragility depend upon the number of constraints, even for the supercooled melt. Using this approach, the variation of the glass transition temperature with the chemical composition can be obtained from the number of floppy modes, since low frequencies enhance in a considerable way the average quadratic displacement of atomic vibrations. The result reproduces the observed experimental variation of the glass transition temperature with chemical composition. (c) 2006 Elsevier B.V. All rights reserved.