The Geometry of Slow Structural Fluctuations in a Supercooled Binary Alloy

Abstract

The liquid structure of a glass-forming binary alloy is studied using molecular dynamics simulations. The analysis combines common neighbour analysis with the geometrical approach of Frank and Kasper to establish that the supercooled liquid contains extended clusters characterised by the same short range order as the crystal. Fluctuations in these clusters exhibit strong correlations with fluctuations in the inherent structure energy. The steep increase in the heat capacity on cooling is, thus, directly coupled to the growing fluctuations of the Frank-Kasper clusters. The relaxation of particles in the clusters dominates the slow tail of the self-intermediate scattering function.

References in corpus (3)

• Understanding fragility in supercooled Lennard-Jones mixtures. I. Locally preferred structures
• Statistical Mechanics and Dynamics of a 3-Dimensional Glass-Forming System
• What Stabilizes the Intermediate Structure of an Amorphous Alloy?

Cited by in corpus (43)

• Theoretical perspective on the glass transition and amorphous materials
• The role of local structure in dynamical arrest
• Bond orientational ordering in liquids: Towards a unified description of water-like anomalies, liquid-liquid transition, glass transition, and crystallization
• Modeling the mechanics of amorphous solids at different length and time scales
• Roles of icosahedral and crystal-like order in hard spheres glass transition
• The Relationship of Dynamical Heterogeneity to the Adam-Gibbs and Random First-Order Transition Theories of Glass Formation
• Identification of long-lived clusters and their link to slow dynamics in a model glass former
• Pressure-energy correlations in liquids. V. Isomorphs in generalized Lennard-Jones systems
• Geometrical Frustration and Static Correlations in a Simple Glass Former
• Locally preferred structures and many-body static correlations in viscous liquids
• Finite size effects in the dynamics of glass-forming liquids
• Multiple length and time scales of dynamic heterogeneities in model glass-forming liquids: A systematic analysis of multi-point and multi-time correlations
• Decorrelation of the static and dynamic length scales in hard-sphere glass-formers
• Phase diagram of Kob-Andersen type binary Lennard-Jones mixtures
• Constrained dynamics of localized excitations causes a non-equilibrium phase transition in an atomistic model of glass formers
• Crystalline 'Genes' in Metallic Liquids
• Cooling rate dependence of simulated $\mathrm{C}{\mathrm{u}}_{64.5}\mathrm{Z}{\mathrm{r}}_{35.5}$ metallic glass structure
• From glass formation to icosahedral ordering by curving three-dimensional space
• Equilibrium cluster fluids: Pair interactions via inverse design
• Strongly correlating liquids and their isomorphs
• Isomorph invariance of classical crystals' structure and dynamics
• The nature of geometric frustration in the Kob-Andersen mixture
• Crystallisation Instability in Glassforming Mixtures
• The Structural Origin of Enhanced Dynamics at the Surface of a Glassy Alloy
• Effect of attractions on correlation length scales in a glass-forming liquid
• Structural-dynamical transition in the Wahnström mixture
• Correlation between crystalline order and vitrification in colloidal monolayers
• Structural signatures of ultrastability in a deposited glassformer
• Correlated disorder in a well relaxed model binary glass through a local SU(2) bonding topology
• Impact of Spatial Dimension on Structural Ordering in Metallic Glass
• Recasting a model atomistic glassformer as a system of icosahedra
• Observation of crystallization slowdown in supercooled para-hydrogen and ortho-deuterium quantum liquid mixtures
• Favoured Local Structures in Liquids and Solids: a 3D Lattice Model
• Linking dynamical heterogeneity to static amorphous order
• How a Supercooled Liquid Borrows Structure from the Crystal
• Structural Phases in Non-Additive Soft-Disk Mixtures: Glasses, Substitutional Order, and Random Tilings
• Characterization and Efficient Monte Carlo Sampling of Disordered Microphases
• Density and Glass Forming Ability in Amorphous Atomic Alloys: the Role of the Particle Softness
• Controlling local order of athermal self-propelled particles
• MD Simulations of Charged Binary Mixtures Reveal a Generic Relation Between High- and Low-Temperature Behavior
• Statistics of small length scale density fluctuations in supercooled viscous liquids
• Liquid-to-liquid phase transition underlying the structural crossover in a supercooled metallic liquid
• Unifying atoms and colloids near the glass transition through bond-order topology