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Methods of Ex Situ and In Situ Investigations of Structural Transformations: The Case of Crystallization of Metallic Glasses
Published on: June 7, 2018
Structural changes in the Lennard-Jones supercooled liquid and ideal glass: An improved integral equation for the
Jean-Marc Bomont1, Jean-Louis Bretonnet1, Dino Costa2
1Université de Lorraine, LCP-A2MC, UR 3469, 1 Bd. François Arago, Metz F-57078, France.
None:
Framing the glass formation within standard statistical mechanics is an outstanding problem of condensed matter theory. To add insight, we investigate the structural properties of the Lennard-Jones fluid in the very-low temperature regime by using a replicated version of the refined HMSA theory of the liquid state combined with an appropriate split of the pair potential [Bomont and Bretonnet, J. Chem. Phys. 114, 4141 (2001)0021-960610.1063/1.1344610]. Our scheme allows one to reach an unprecedented low-temperature domain within both the supercooled liquid and the ideal-glass phase. Therein, a density-dependent temperature is identified, whereupon the radial distribution function experiences clear-cut structural changes, insofar as an additional peak develops in between the main and the second peaks. Such a structural feature points to a local structure of the Lennard-Jones ideal glass with an fcc-like short-range order, in the absence of any long-range order.
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