Multimillion atom simulations of dynamics of oxidation of an aluminum nanoparticle and nanoindentation of ceramics

Article Abstract:

Study is conducted which combines scalable and portable simulation algorithms to enable very large-scale molecular dynamics (MD) simulations. MD simulations of various nanostructured materials and processes of great scientific and technological importance are discussed which predict a crossover from intergranular continuous deformation to intragrain discrete deformation at a critical indentation depth.

Oxidation-reduction reaction, Oxidation-reduction reactions, Mechanical properties, Structure

---

Generation of aluminum nanoparticles using an atmospheric pressure plasma torch

Article Abstract:

Nanoparticles of aluminum metal were generated by passing an aerosol of micrometer-scale (mean 50 micrometer) particles in argon through an atmospheric pressure plasma torch operated at less than 1000 W. A designed experiment was conducted to investigate the effects of plasma gas flow rate, aerosol gas flow rate, and applied power on the shape, size, and size distribution of the final particles.

Plasma dynamics

---

Modeling water exchange on an aluminum polyoxocation

Article Abstract:

The water exchange on a polymeric complex was modeled using a combination of gas phase ab initio calculations and molecular dynamics (MD) simulations. The MD simulations were used to observe solvent structure prior to an exchange, and ab initio methods were used to calculate an energy difference between the transition and initial states.

Water

Similar abstracts:

• Abstracts: Reactions of hydrazoic acid on TiO(sub 2) nanoparticles: An experimental and computational study. Adsorption and reaction of C2N2 on Si(100)-2 x 1: A computational study with single-and double-dimer cluster models
• Abstracts: Stabilizing effect of pseudo-dendritic polyethylenimine on platinum nanoparticles supported on carbon
• Abstracts: Structural phase transition driven by spin-lattice interaction in a quasi-one-dimensional spin system of [1-(4'-Iodobenzyl)pyridinium][Ni(mnt)(sub 2)]
• Abstracts: Determination of pore sizes and volumes of porous materials by (sup 129)Xe NMR of xenon gas dissolved in a medium

This website is not affiliated with document authors or copyright owners. This page is provided for informational purposes only. Unintentional errors are possible.