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Meeting 2023 TMS Annual Meeting & Exhibition
Symposium Frontiers of Materials Award Symposium: Intermetallic Alloys at the Edge of Complexity: Structural and Kinetic Aspects
Presentation Title Simulating Complex Crystal Structures and Their Assembly in Hard and Soft Condensed Materials
Author(s) Julia Dshemuchadse
On-Site Speaker (Planned) Julia Dshemuchadse
Abstract Scope Intermetallic compounds and ordered mesoscopic systems (i.e., "hard" and "soft" condensed matter) share structural properties on both ends of the complexity spectrum: while their simplest representatives are trivial sphere packings, their structural diversity has proven to be immense and extends all the way to aperiodic structures, such as quasicrystals. We study the assembly and structural features of complex crystals via numerical simulations, in order to investigate the emergence of long-range order from short-range interactions. By employing simple coarse-grained models, we gain systematic insights into the phenomena that lead to the crystallization and stabilization of the same intricate crystal structure types across length scales and materials systems. Ultimately, we aim to deduce general principles of structure formation that will allow for the design of tailored, functional materials in the future.
Proceedings Inclusion? Planned: None Selected


Capturing the Growth of Quasicrystals Near- and Far-from-Equilibrium
Complex Intermetallic Compounds: Original Surface Structures for Unusual Surface Properties
Direct Evaluation of Quasicrystal Bulk and Surface Energies in Density Functional Theory
In-Situ Growth of PtSn4, a Complex Layered Intermetallic
Influence of Icosahedral Short-range Order in the Liquid on Solidification Morphologies
Intermetallic Compounds from Metallic-glass Precursors
Simulating Complex Crystal Structures and Their Assembly in Hard and Soft Condensed Materials

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