A polarizable coarse-grained model for metal, metal oxide and composite metal/metal oxide nanoparticles: development and implementation.

We present a polarizable coarse-grained model for metal, metal oxide, and composite metal/metal oxide nanoparticles with well-defined crystalline surfaces. The developed model uses a low-resolution polarizable "surface beads" representation of the nanoparticle's geometry and pairwise cross nanoparticle potential consisting of van der Waals and electrostatic interaction terms. The electrostatic interaction term of the cross nanoparticle potential incorporates a crucial physical aspect of electrostatic interaction into the metal and metal oxide systems, such as induced surface charges, making it possible to explore the nanoparticles' behavior in complex environments as well as investigate the interplay between electrostatic and van der Waals interactions in nanoparticle systems.

A polarizable coarse-grained model for metal, metal oxide and composite metal/metal oxide nanoparticles and its applications.

We present a selected set of exemplifying applications of the novel polarizable coarse-grained model [see the first part] to various outstanding problems in the physics and chemistry of nanoparticles: electrostatic potential around silver and gold nanoparticles; spontaneous and external electric field-driven self-organization of gold and silver nanoparticle systems; and physisorption of carbon dioxide on titanium dioxide nanoparticles decorated with a gold catalyst. In the first application, the developed model has shown capabilities of predicting long-range potential with accuracy comparable to the tight-binding density functional theory methods. Furthermore, the electrostatic potential analysis in hot spot regions allowed us to identify twin defect lines in a silver nanostar as a promising candidate for an enhancer in surface-enhanced Raman spectroscopy.

Automatic Detection of Cracks on Concrete Surfaces in the Presence of Shadows.

Deep learning-based methods, especially convolutional neural networks, have been developed to automatically process the images of concrete surfaces for crack identification tasks. Although deep learning-based methods claim very high accuracy, they often ignore the complexity of the image collection process. Real-world images are often impacted by complex illumination conditions, shadows, the randomness of crack shapes and sizes, blemishes, and concrete spall.

Antibacterial Activity of Silver and Gold Particles Formed on Titania Thin Films.

Metal-based nanoparticles with antimicrobial activity are gaining a lot of attention in recent years due to the increased antibiotics resistance. The development and the pathogenesis of oral diseases are usually associated with the formation of bacteria biofilms on the surfaces; therefore, it is crucial to investigate the materials and their properties that would reduce bacterial attachment and biofilm formation. This work provides a systematic investigation of the physical-chemical properties and the antibacterial activity of TiO thin films decorated by Ag and Au nanoparticles (NP) against and species associated with oral diseases.

Applicability of time-averaged holography for micro-electro-mechanical system performing non-linear oscillations.

Optical investigation of movable microsystem components using time-averaged holography is investigated in this paper. It is shown that even a harmonic excitation of a non-linear microsystem may result in an unpredictable chaotic motion. Analytical results between parameters of the chaotic oscillations and the formation of time-averaged fringes provide a deeper insight into computational and experimental interpretation of time-averaged MEMS holograms.

Validation of noninvasive MOEMS-assisted measurement system based on CCD sensor for radial pulse analysis.

Examination of wrist radial pulse is a noninvasive diagnostic method, which occupies a very important position in Traditional Chinese Medicine. It is based on manual palpation and therefore relies largely on the practitioner's subjective technical skills and judgment. Consequently, it lacks reliability and consistency, which limits practical applications in clinical medicine.