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Meeting 2020 TMS Annual Meeting & Exhibition
Symposium Advances and Discoveries in Non-equilibrium Driven Nanomaterials and Thin Films
Presentation Title Effect of Interfacial Strain on the Point-defect Energetics in LaNiOx
Author(s) Kanishk Rawat, Dillon Fong, Dilpuneet S. Aidhy
On-Site Speaker (Planned) Dilpuneet S. Aidhy
Abstract Scope In this work, using density functional theory (DFT) calculations, we elucidate the effect of interfacial strain on the formation energy of oxygen vacancies in LaNiOx. Recent experiments show that LaNiO3 undergoes phase transformation to LaNiO2.5 via the creation of oxygen vacancies under varying oxygen partial pressure. We predict that the same phase transformation can be achieved via interfacial strain; this is due to the lowering of the oxygen vacancy formation energy in LaNiO3 under tensile strain. Using DFT calculations, we elucidate the thermodynamics and kinetics of phase transitions in LaNiOx phases which is induced via the ordering and disordering of the oxygen vacancies in LaNiOx. We compare the defect dynamics to the in-situ X-ray Photon Correlation Spectroscopy (XPCS) measurements that captures the dynamics of such structural phase transitions.
Proceedings Inclusion? Planned: Supplemental Proceedings volume

OTHER PAPERS PLANNED FOR THIS SYMPOSIUM

Synthesis of Mesoporous Metal-Silicates via Silicate-Exfoliation on Metal Hydroxides
Controlling Functional Properties in Oxide Nanocomposites via Strain, Defects and Interfaces
Controlling Nanoscale Eutectic Microstructures in Directionally Laser Melted Al-Cu Alloyed Thin Films
Development of Reactive Molecular Dynamics (MD) and Hybrid Reverse Monte Carlo (HRMC) Modeling to Synthesize Amorphous Boron Carbide
Discoveries of Q-carbon and Q-BN and Direct Conversion of Carbon into Diamond and h-BN into c-BN
Dynamically Evolving Metastability in an Atomic Hourglass: Temporal Control of the Metal-insulator Transition of VO2 by a Mobile Dopant
Effect of Interfacial Strain on the Point-defect Energetics in LaNiOx
Emergence of Shallow Energy Levels in B-doped Q-carbon: A high- temperature Superconductor
Enhanced Field Emission of CNT-W Nanowire Hierarchical Emitters
Fabrication of Nanodiamond and Q-carbon by Ultrafast Quenching of Carbon Structures for Electron Field Emission Devices
Formation of Reduced Graphene Oxide/amorphous Carbon P-N Junctions via Highly Nonequilibrium Route of Nanosecond Laser Irradiation
Heat Capacity and Free Energy of Ni-Fe Nanocrystals
In-situ Analysis of IR Laser Radiation Damage on Nano-structured MoS2
In-situ and Real Time Chemical Analysis of Complex Oxide Thin Film Surfaces using Pulsed Laser Deposition
Laser Processing in the Transmission Electron Microscope
Low Temperature, Metal Induced Crystallization Growth of SixGe1-X Films on Nanostructured Si Substrates
Magnetism in Graphene Nanoribbons
Metastable Silicon Nanocomposites via Plasma Synthesis and Spark Plasma Sintering
Microstructure Morphology and Concentration Modulation of Bicontinuous Nanocomposite Thin-films during Physical Vapor Deposition
Microstructures Studies on Ag-TiO2 Thin Films for Self-cleaning Solar Panel Application
Morphological Evolution of Phase-separated Domains in Vapor-deposited Polycrystalline Alloy Films
Quasi-one-dimensional Mo Chains for Efficient Hydrogen Evolution Reaction
Recent Advances in Thin Film Thermoelectrics: SnSe and Beyond
Scalable Synthesis of Graphene Quantum Dots and its Application in Bioimaging
Stabilization of High-temperature Polymorphs of SrSnO3 at Room Temperature via Epitaxy
Structural Transformation in Sn and CNT Reinforced Al-Cu-Fe Quasicrystalline Matrix Nanocomposite: Influence of Mechanical Milling and Cryomilling
Structure-dependent Optical and Electrical Properties of CeOx Coatings Growth by RF-MS and HIPIMS
Surface Chemistry Evolution in Ti-BNNT System Processed by SPS and its Correlation to Physico-chemical and Mechanical Properties
Synthesis and Densification of Functional Metal-oxide Nano Bulk Composite with Far from Equilibrium State
The Transition from Amorphous Carbon to Carbon Nanohorns by DC Arc Discharge
Tunable 2D Materials from Synthesis to Applications
Understanding the Effects of Lattice Strain on MoS2 through Irradiation
Wetting Behavior of Ce-based Conversion Coatings on 7075 Aluminum Alloy

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