Superior first-cycle Coulomb efficiency (above 80%) is displayed by filter paper-derived micro-nano structure hard carbon, and it delivers a high reversible capacity of 286 mAh g-1 after 100 cycles as the anode for Na-ion battery at 20 mA g-1. These advantageous performance characteristics are attributed to the unique micro-nano structure, which reduced the first irreversible capacity loss by l...

in this paper, we used quantum chemical approach to shed light on the catalytic mechanism of γ-carbonic anhydrase (γ-ca) to convert carbon dioxide to bicarbonate ion. density functional theory (dft) using b3lyp and ub3lyp functional and three split-valance including 6-31g*, 6-311g** and 6-311++g** basis sets were used to calculate the details of electronic structure and electronic energy of act...

To closely analyze the dislocation structure evolution during nano-indentation, a multi-scale discrete dislocation plasticity code is modified to include nano-indentation loading. This code couples two length scales, discrete dislocation dynamics and continuum finite element analysis and has been successfully applied to analyze various problems in mechanics and materials science. Description of...

The extraction of renewable energy resources particularly from earth abundant materials has always been a matter of significance in industrial products. Herein, we report a novel simultaneous extraction of nano-silicon with activated carbons (nano-Si@ACs) from rice husk (RH) by chemical activation method. As-extracted nano-Si@ACs is then used as an energy harvesting materials in counter electro...

The dissolution of nano-sized Ni3Al-based γ′ precipitates was investigated in the newly developed polycrystalline nickel-based VDM® Alloy 780 at surface and bulk region with in-situ lab-source synchrotron X-ray diffraction. These studies are important obtaining a deeper understanding strengthening mechanism responsible for stability long service lives such superalloys. We found that behavior ph...

In this paper, molecular dynamics (MD) simulations are used to investigate the effects of machining parameters on nanomachining and subsurface defect evolution single crystal γ-TiAl alloys with water medium. The changes cutting force temperature medium were analyzed in nano-cutting process, defects structure workpiece studied by common neighbor analysis (CNA) method. results show that increasin...

according to recent achievements in nano technology we can see its effects in different engineering fields. in nano manufacture process the first essential step is modeling coordinately in order to make it available different software are developing for this propose.  in this paper nano modeling for two papers is developed first understanding structure in nano and micro size and second simulati...

CONTEXT Titanium dioxide nanoparticles (nano-TiO(2)) and ethanol vapors are air contaminants with increasing importance. The presence of a pathological pulmonary condition, such as asthma, may increase lung susceptibility to such contaminants. OBJECTIVE This study aimed to investigate if exposure to inhaled ethanol vapors or nano-TiO(2) can modulate the rat pulmonary inflammatory response res...

We characterize the macroscopic effective mechanical behavior of a graphene sheet modeled by a hexagonal lattice of elastic bars, using Γ-convergence.