Multiscale Modeling and Simulation of Nanocrystalline Zirconium Oxide

Comparison of doped combination zirconium-tungsten, zirconium- molybdenum and molybdenum-tungsten on single-wall vanadium oxide nanotube in hydrogen gas adsorption

In this study, doped vanadium oxide nanotubes were evaluated using different software to study the absorption of hydrogen gas. Vanadium oxide nanotubes are one of the options for absorption and storage hydrogen gas. In this research study for the first time, the Monte Carlo simulation was used to investigate the hydrogen gas absorption behavior in molybdenum-tungsten, molybdenum-zirconium and z...

Multiscale Modeling of Formation and Structure of Oxide Embedded Silicon and Germanium Nanocrystals

Three-Dimensional Assemblies of Zirconia Nanocrystals Via Shape-Preserving Reactive Conversion of Diatom Microshells

The synthesis of three-dimensional (3-D) assemblies of zirconia nanocrystals via the shape-preserving reactive conversion of biologically reproducible, silica-based microtemplates (diatom microshells) is demonstrated for the first time. Silica diatom microshells were first converted into magnesia replicas via an oxidation–reduction displacement reaction with magnesium gas. The magnesia replicas...

A FEM Multiscale Homogenization Procedure using Nanoindentation for High Performance Concrete

This paper aims to develop a numerical multiscale homogenization method for prediction of elasto-viscoplastic properties of a high performance concrete (HPC). The homogenization procedure is separated into two-levels according to the microstructure of the HPC: the mortar or matrix level and the concrete level. The elasto-viscoplastic behavior of individual microstructural phases of the matrix a...

Ionic liquid-templated preparation of mesoporous silica embedded with nanocrystalline sulfated zirconia

A series of mesoporous silicas impregnated with nanocrystalline sulphated zirconia was prepared by a sol-gel process using an ionic liquid-templated route. The physicochemical properties of the mesoporous sulphated zirconia materials were studied using characterisation techniques such as inductively coupled optical emission spectroscopy, X-ray diffraction, transmission electron microscopy, ener...