Reversibility window in Li-borate glasses and structural anomalies
Recent MD studies on a sodium silicate glass have shown the existence of a reversibility window (RW) related to the number of constraints of the topological glass and characterized by a negligible hysteresis loop and an anomalous behaviour of the FSDP. Alkali (in particular Li and Na) borates constitute an excellent system to confirm experimentally this unusual behaviour, as they have glass transition temperatures in the range 530-780 K. And due to the small atomic number of all its constituents they are well suited to Ab Initio MD simulations, which will complement the neutron diffraction data and provide additional insights into the structural changes related with the degree of stress of the glass. Therefore we propose to study by means of D4 the structure of ? Li-borate glasses of different composition at room temperature in order to correlate the changes observed in the FSDP with the rigidity properties of the glass, as well as the temperature dependence across Tg for two selected compositions (one inside the RW and one outside), in order to observe their different hysteresis loops.
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MICOULAUT Matthieu; BOOLCHAND Punit; CORMIER Laurent; FERLAT Guillaume; Henry E. Fischer; GONZALEZ Miguel Angel; LELONG Gerald and SALANNE Mathieu. (2016). Reversibility window in Li-borate glasses and structural anomalies. Institut Laue-Langevin (ILL) doi:10.5291/ILL-DATA.6-05-978
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