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Investigation of Filament Formation and Surface Perturbation in Nanoscale-Y2O3 Memristor: A Physical Modeling Approach
A comprehensive physical electro-thermal modeling approach is explored to investigate the intricate mechanisms underlying filament formation and the...
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Nanoscale Phenomena in Ferroelectric Thin Films
In this chapter, recent progress in our group in the area of thin-film ferroelectrics is reviewed. The specific focus is on nanoscale...
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Preparation of high-purity fluorite and nanoscale calcium carbonate from low-grade fluorite
Flotation separation of calcite from fluorite is a challenge on low-grade fluorite flotation that limits the recovery and purity of fluorite...
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Bottom-up coarse-grain modeling of nanoscale shear bands in shocked α-RDX
An important mechanism of detonation initiation in shock compressed energetic molecular crystals is plastic strain localization producing nanoscale...
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Formation of nanoscale phases during rapid solidification of Al–Cu–Si alloys
In this work, the formation of nanoscale phases in Al 30 Cu 40 Si 30 , Al 33.3 Cu 33.3 Si 33.3 and Al 60 Cu 20 Si 20 alloys as a result of rapid crystallization was...
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Indentation and Scratching on the Nanoscale
Indentation and scratching of Fe, as a model of ferritic steels, are studied by atomistic simulation and experiment. The modeling allows to include...
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Coarse-Grained Molecular Dynamics Simulations of Nanoscale Roughness Effects on Oil Film Delamination
In boundary lubrication, the detachment of lubricant molecules from a solid surface is likely to occur due to the presence of high compressive normal...
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2D materials-based nanoscale tunneling field effect transistors: current developments and future prospects
The continuously intensifying demand for high-performance and miniaturized semiconductor devices has pushed the aggressive downscaling of...
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Nanoscale modeling of dynamically tunable planar optical absorbers utilizing InAs and InSb in metal-oxide-semiconductor–metal configurations
The attainment of dynamic tunability in spectrally selective optical absorption has been a longstanding objective in modern optics. Typically,...
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Molecular modeling applied to corrosion inhibition: a critical review
In the last few years, organic corrosion inhibitors have been used as a green alternative to toxic inorganic compounds to prevent corrosion in...
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Molecular Dynamics Study of Nano-Grinding Behavior for Silicon Wafer Workpieces with Nanoscale Roughness Under Diamond Abrasive Rotation and Translation
This study aims to analyze the nano-grinding behavior of silicon wafer workpieces with nanoscale roughness by molecular dynamics simulations. The...
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Normal Contact Analysis Between Two Self-affine Fractal Surfaces at the Nanoscale by Molecular Dynamics Simulations
This work attempts to investigate contact between two self-affine fractal surfaces with one being of a rigid solid and other of a FCC deformable...
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Strain in Microscale and Nanoscale Semiconductor Heterostructures
Reliable modelling and precise determination of the strain effects on the structural, electronic and optical properties of microscale planar and...
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Atomistic modeling of idealized equal channel angular pressing process
Severe plastic deformation (SPD) processes are forming techniques that impose large plastic strains to achieve ultra-fine grained and nanocrystalline...
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Revealing atomic-to-nanoscale oxidation mechanisms of metallic materials
Oxidation and corrosion are the leading causes of degradation and failure of metallic materials. Future alloy development requires the incorporation...
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Multiscale modeling of crystal defects in structural materials
Defects in crystals influence and control many relevant material properties. It is essential to employ multiscale modeling to understand structure...
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Field-effect BJT: an adaptive and multifunctional nanoscale transistor
Nano-electronic integrated circuit technology is exclusively based on MOSFET transistor due to its scalability down to the nanometer range. On the...
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Reverse Monte Carlo Modeling of Non-crystalline and Crystalline Materials
The structures of glassy, liquid, and amorphous materials are still poorly understood owing to insufficient experimental data. With the advent of...
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AutoPhaseNN: unsupervised physics-aware deep learning of 3D nanoscale Bragg coherent diffraction imaging
The problem of phase retrieval underlies various imaging methods from astronomy to nanoscale imaging. Traditional phase retrieval methods are...
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Forming a Chemically-Guided Basis for Cathode Materials with Reduced Biological Impact Using Combined Density Functional Theory and Thermodynamics Modeling
The demand for lithium-ion batteries (LIBs) is surging, prompting a need for computational materials science to enhance performance while addressing...