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Meeting 2021 TMS Annual Meeting & Exhibition
Symposium Bulk Metallic Glasses XVIII
Presentation Title Emerging Fractal Potential Energy Landscape as the Origin of Activation Volume in Metallic Glasses
Author(s) Chaoyi Liu, Yue Fan
On-Site Speaker (Planned) Yue Fan
Abstract Scope Many properties of metallic glasses (deformation, diffusion, ageing, etc) originate from collective rearrangements of small groups of atoms called local structural excitations (LSEs). In a classical picture, shear loading would reduce LSE’s activation energy, which is analogous to the picture of dislocation migration in crystals, where the Peierls valley in potential energy landscape (PEL) is biased and tilted by external shear. However, the direct track of minimum energy pathways in PEL before and after shear loading by atomistic modeling shows only slight tilting, yielding an unreasonably small activation volume (10 times less than experiments). Here we show that, under external shear, the metallic glasses’ PEL topology is qualitatively changed. It becomes more fractal, where many tortuous pathways with large ratio of contour length and end-to-end length start to emerge. More importantly, those tortuous pathways have significantly lower activation barriers, which can naturally explain the enhanced LSEs’ activities estimated in experiments.
Proceedings Inclusion? Planned:

OTHER PAPERS PLANNED FOR THIS SYMPOSIUM

Atomistic Characterization and Modeling of Corrosion in Al-based Amorphous Metals
Brittle-to-Ductile Transition in Metallic Glasses
Competing Effects of Topology and Chemical Bonding on Mechanical Properties of Metallic Glasses
Correlated Disorder Order in a Model Binary Glass
Demisability of Bulk Metallic Glasses for Potential Satellite Applications
Effect of Porosity Level on the Mechanical Properties of Bicontinuous Nanoporous Metallic Glasses
Effect of Porosity on Fracture Behavior of Porous Bulk Metallic Glasses
Effective Quantification of Liquid Structure in Metallic Alloys and its Relation to Glass-Forming Ability
Emerging Fractal Potential Energy Landscape as the Origin of Activation Volume in Metallic Glasses
Fabrication of Fe-based Metallic Glassy Microparts Through Unprecedented Processes
Fragility, Medium Range Order and Boson Peak in Liquids
Glass Forming Ability of the Cu-Zr Alloys: What Do We Learn from Molecular Dynamics Simulation?
Local Structure of the Al-RE Marginal Metallic Glasses Studied by Molecular Dynamics Simulation
Machine Learning from Elemental and Simulation Features for Predicting Glass Forming Ability
Measuring Metallic Glass Viscosities Over Wide Composition Ranges
Mechanical Behavior and Phase Stability of Ductile Metallic Glass Nanoparticles
Microscopic Description of Plasticity, Relaxation and Rejuvenation Using Anelastic Relaxation Spectra
Microstructure - Fracture Toughness Relationships in Bulk Metallic Glasses
Nanomolding Far and Close to Equilibrium
Non-destructive Probing of Internal Damage Processes in a Metallic Glass
Overview on Additive Manufacturing Techniques for Bulk Metallic Glasses
Selection and Testing of Bulk Metallic Glass Alloys for Space-based Mechanisms
Stress Breaks Universal Aging Behavior in a Metallic Glass
Structural Heterogeneities Dictate Strength and Fracture Toughness in a Zr-based Metallic Glass
Structural Relaxation and Mechanical Properties of Model Glass Systems at the Micro-second Timescale
Synthesis of Bulk Metallic Glass-alumina Composites with Intertwined Dendritic Structure
The Secondary Phase of Bulk Metallic Glass
Tracing Structural Dynamics in Metallic Glasses during Cryogenic Cycling
Ultrafast-calorimetry Experiments to Study Multistep Crystallization and Melting Pathways in Metals

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