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Meeting 2022 TMS Annual Meeting & Exhibition
Symposium Advances and Discoveries in Non-equilibrium Driven Nanomaterials and Thin Films
Presentation Title Correlating Properties of Irradiation Produced Nanoscale Superlattices with Irradiation Condition Parameters by Combining Rate Theory and Kinetic Monte Carlo Simulations
Author(s) Anton Schneider, Yongfeng Zhang, Chao Jiang, Jian Gan
On-Site Speaker (Planned) Anton Schneider
Abstract Scope Void superlattices have been known to form in materials under irradiation for decades. Although the exact mechanisms of such lattice ordering remain debated, recent theoretical and experimental studies have clarified the critical roles of one-dimensional self-interstitial atoms (SIAs) diffusion and irradiation condition. Following the modeling approach developed in earlier works, the present study aims at providing a deeper understanding of the dependance of several key superlattice properties on irradiation conditions, by combining rate theory and kinetic Monte-Carlo simulations. The results show that key superlattice properties such as the lattice constant, the ordering, the critical dose of formation and the formation temperature window correlate strongly with irradiation dose rate, temperature, the degree of anisotropy of SIAs diffusion, and the presence of inert gas, and weakly with sink density. The correlations elucidated in this study provide deeper insights regarding superlattice formation and constitute a valuable step towards the development of tailor-made meta-materials.
Proceedings Inclusion? Planned:
Keywords Modeling and Simulation, Computational Materials Science & Engineering,

OTHER PAPERS PLANNED FOR THIS SYMPOSIUM

ALD Deposited Functional Hetero-nano Structured Ceria Films
Correlating Properties of Irradiation Produced Nanoscale Superlattices with Irradiation Condition Parameters by Combining Rate Theory and Kinetic Monte Carlo Simulations
Effect of Saturated Gas Species on the Binding Interaction between Nanobubbles and Nanoparticles
Exploring Functional Nanomaterials at XTIP Beamline
Extraordinary Properties of Q-carbon and Diamond Related Materials
Growth of Complex Oxide Thin Films with Nanoscale Porosity by Pulsed Laser Deposition
H-6: Synthesis and Characterization of Mesoporous Copper Cobalt Oxide (CuCo2O4) Using Inverse Micelle Method
Hybrid Thin Film Interface for High Temperature Electronics Modules
Identification of NV Centers in Nanodiamond through STEM-EELS/EDS
Laser Irradiation Induced Nanoscale Surface Transformations in Strontium Titanate
Linking Defects with Electronic Structure, and Optoelectronic Properties in Semiconductor Thin Films
Low-dimensional Titanium Oxynitride Thin Films and Nanowires for Water-splitting and Ultra-high Capacitance Supercapacitors Applications
Magnetic Properties of Qausi-2D van der Waals Crystals by Protons and Photons
Magneto-optical Properties of Equilibrium and Non-equilibrium Bi-metallic Materials
Meta-stable Orthorhombic Phase of HfZrOx Thin Films for Ferroelectric Devices
Novel Bent-lattice Nanostructures in Crystallizing Amorphous Films Discovered by Transmission Electron Microscopy
Recent Advances for Highly Stable Practical Potassium Ion Batteries
Salt-assisted Chemical Vapor Deposition Synthesis of 2D WSe2 and Its Integration in High Performance Field-effect Transistors
Surrogates for Actinide Thin Film Research
Tailoring the Properties of Carbon Thin Films on Flexible HDPE Substrate by Non-equilibrium Laser Annealing
Transient Laser Heating Induced Nanoscopic Surface Reconstruction in VO2 Thin Film
Two-photon Lithography of 2D/3D Nanostructures in Polymer and Composite Matrix

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