T1 process and dynamics in glass-forming hard-sphere liquids. Issue 13 (19th February 2015)

• Record Type: Journal Article
• Authors: Zhou, Yuxing; Milner, Scott T.
• Is Part Of: Soft matter. Volume 11:Issue 13(2015)
• Page Start: 2700
• Page End: 2705
• Publication Date: 2015-02-19
• Subjects: Soft condensed matter -- Periodicals; 530.413
• DOI: 10.1039/c4sm02459a
• Languages: English
• ISSNs: 1744-683X

Abstract

Abstract : To study the relationship between dynamics and structure in a glass-forming liquid, we introduce a purely geometric criterion for locally mobile particles in a dense hard-sphere fluid: namely, "T1-active" particles, which can gain or lose at least one Voronoi neighbor by moving within their free volume with other particles fixed. Abstract : To study the relationship between dynamics and structure in a glass-forming liquid, we introduce a purely geometric criterion for locally mobile particles in a dense hard-sphere fluid: namely, "T1-active" particles, which can gain or lose at least one Voronoi neighbor by moving within their free volume with other particles fixed. We obtain geometrical and dynamical properties for monodisperse hard-sphere fluids with 0.40 < ϕ < 0.64 using a "crystal-avoiding" MD simulation that effectively suppresses crystallization without altering the dynamics. We find that the fraction of T1-active particles vanishes at random close packing, while the percolation threshold of T1-inactive particles is essentially identical to the commonly identified hard-sphere glass transition, ϕ g ≈ 0.585.