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HomeTopicsInformatics, Modeling & Simulation

Topic: Informatics, Modeling & Simulation

Anti-Crossing Levels and Electron Tunneling in Quantum Rings

Filikhin I., Matinyan S.G., Nimmo J., Vlahovic B., North Carolina Central University, US
Quantum Rings (QR) attracted attention during the last decade because of remarkable meso and nano-structures, due to non-simple connected topology. In our work [3] it was shown that in the weakly coupled double concentric quantum [...]

Dynamic Nanoindentation Analysis using Generalized Maxwell Model for Viscoelastic Materials Characterization

Yuya P.A., Patel N.G., Clarkson University, US
Nanoindentation has become a very useful tool for materials properties characterization at nanoscale. The Kelvin-Voigt (two-parameter) solid has been used as the conventional model for the tip-sample forces for viscoelastic contact where the sample stiffness [...]

Predicting Contact Angles for Regular and Irregular Surfaces

Krishnan K., Loth E., University of Virginia, US
We attempted new models for advancing and receding contact angles for both regular and irregular surfaces. While many models have been suggested for regular surfaces, comparison with experimental data shows the presence of secondary effect. [...]

Mathematical modelling of nanoscale phenomena

Myers T.G., Font F., MacDevette M., Centre de Recerca Matematica, ES
The talk deals with 3 problems currently under investigation with the reesearch group at the Centre de Recerca Matematica: 1. Enhanced flow in carbon nanotubes. 2. Rapid melting of nanoparticles. 3. Enhanced heat transfer with [...]

Spherically symmetric oxidation model of aluminum nanoparticles

Ramazanova Z., Zyskin M., Martirosyan K.S., University of Texas at Brownsville, US
Kinetics of oxidation of metal nanoparticles acquired practical importance with rapidly developing nanoenergetic systems and materials. Nanoenergetic thermites include mixtures of Al and metal oxides in nanoscale. Our research focuses on modeling aluminum combustion in [...]

Direct observation of silver nanoparticle-ubiquitin corona formation

Ding F., Clemson University, US
The advancement of nanomedicine and the increasing applications of nanoparticles in consumer products have led to administered biological exposure and unintentional environmental accumulation of nanoparticles, causing concerns over the biocompatibility and sustainability of nanotechnology. Upon [...]

Computational Hierarchy Modeling of Self-assembled Polyurea Aerogels

Chen G.D., Missouri University of Science and Technology, US
An economical environmentally friendlier synthesis of nanoporous polyurea aerogels from triisocuyanates and water has recently been described. Owing to their multi-functionality and superior mechanical properties, those materials are finding their way into various engineering applications. [...]

Surface Structure of the drug delivery liposome

Magarkar A., University of Helsinki, FI
The criteria for effectiveness of drug delivery liposomes (DDLs) are structural stability, site specific targeting, and lifetime in the bloodstream. Often to increase the lifetime in bloodstream DDL is coated with poly ethylene glycol (PEG). [...]

Hot Phonons Contribution to scattering rates in Single-Walled Carbon Nanotubes

Gautreau P., Ragab T., Basaran C., University of Tabuk, SA
The influence of hot phonons on the electron-phonon scattering rates is studied via an Ensemble Monte Carlo(EMC) simulation with step by step update of the phonon occupation number to account for the generation of hot [...]

Simulation of water adsorption on a diamond (100) surface containing a vacancy defect

Lvova N.A., Lvova N.А., Ananina O.Yu., Lvova N.A., Lvova N.А., Federal State Bugetary Institution, RU
Water is one of the most important adsorbates interacting with the diamond surface. In particular, the presence of -H and -OH on the surface affects the physical and chemical properties of nanocrystalline diamond particles, which [...]

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