scholarly journals Nanoscale modeling of electro-plasmonic tunable devices for modulators and metasurfaces

2017 ◽  
Vol 25 (9) ◽  
pp. 10031 ◽  
Author(s):  
Christoph A. Riedel ◽  
Kai Sun ◽  
Otto L. Muskens ◽  
CH de Groot
Keyword(s):  
Nanoscale Modeling

scholarly journals Nanotechnology in Cement-Based Materials: A Review of Durability, Modeling, and Advanced Characterization

Nanomaterials ◽  
2019 ◽  
Vol 9 (9) ◽  
pp. 1213 ◽  
Author(s):  
Sen Du ◽  
Junliang Wu ◽  
Othman AlShareedah ◽  
Xianming Shi
Keyword(s):  
Recent Progress ◽  
Cement Hydration ◽  
Advanced Characterization ◽  
Cement Composites ◽  
Hydration Products ◽  
Cement Based Materials ◽  
Rebar Corrosion ◽  
Nanoscale Modeling

In the context of increasing applications of various nanomaterials in construction, this work reviews the renewed knowledge of nanotechnology in cement-based materials, focusing on the relevant papers published over the last decade. The addition of nanomaterials in cement-based materials, associated with their dispersion in cement composites, is explored to evaluate their effects on the resistance of cement-based materials to physical deteriorations, chemical deteriorations, and rebar corrosion. This review also examines the proposed nanoscale modeling of interactions between admixed nanomaterials and cement hydration products. At last, the recent progress of advanced characterization that employs techniques to characterize the properties of cement-based materials at the nanoscale is summarized.

scholarly journals Nanoscale Modeling of Shock-Induced Deformation of Diamond

2003 ◽  
Vol 800 ◽  
Author(s):  
S. V. Zybin ◽  
I. I. Oleinik ◽  
M. L. Elert ◽  
C. T. White
Keyword(s):  
Shock Wave ◽  
Good Description ◽  
Quantitative Description ◽  
Wave Structure ◽  
Md Simulations ◽  
Wave Regime ◽  
Piston Velocity ◽  
Rebo Potential ◽  
Elastic Shock ◽  
Nanoscale Modeling

ABSTRACTMolecular dynamics (MD) simulations of shock-induced deformations in diamond were performed using a reactive bond order (REBO) potential. A splitting of shock wave structure into elastic and crystal deformation fronts was observed in the [110] and [111] crystallographic directions above piston velocity thresholds of up ≈ 1.8 and 2.5 km/s, respectively. The crystal lattice response in a split two-wave regime consists of the relative movement of {111} planes in the diamond crystal and has different structural character for [110] and [111] shock waves. The strain produced by a [110] shock wave occurs only along one of the transverse crystalline directions, whereas in the [111] case crystal deformation involves the movement of the atoms in both transverse directions. To gain insight into the atomistic mechanisms of orientational dependence of shock compression of crystals, we have investigated in detail the constitutive stress-strain relationships under static uniaxial compression. The REBO potential gives a reasonably good description of stresses and energetics under moderate uniaxial compressions corresponding to an elastic shock wave regime. However, under compressions higher than 10% ([110] case) and 20% ([111] case) the REBO potential shows deficiencies in the quantitative description of stress response that might affect the MD picture of shock wave deformations in diamond.

scholarly journals Nanoscale Modeling of Morphological Disordering of Mineral Matrix Elements

2015 ◽  
Vol 7 (4) ◽  
pp. 21-29
Author(s):  
А.S. Semenov ◽  
А.I. Grishchenko ◽  
B.E. Melnikov
Keyword(s):  
Matrix Elements ◽  
Mineral Matrix ◽  
Nanoscale Modeling

nanoHUB.org: cloud-based services for nanoscale modeling, simulation, and education

nano Online ◽  
2016 ◽  
Author(s):  
Krishna Madhavan ◽  
Lynn Zentner ◽  
Victoria Farnsworth ◽  
Swaroop Shivarajapura ◽  
Michael Zentner ◽  
...  
Keyword(s):  
Modeling Simulation ◽  
Nanoscale Modeling
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