The study of nanoparticle motion has fundamental relevance in a wide range of nanotechnology-based fields. Molecular dynamics simulations offer a powerful tool to elucidate the dynamics of complex systems and derive theoretical models that facilitate the invention and optimization of novel devices. This research contributes to this ongoing effort by investigating the motion of one-end capped carbon nanotubes within an aqueous environment through extensive molecular dynamics simulations.
View Article and Find Full Text PDFNumerical prediction of material properties is attracting the attention of the scientific community and industry because of its usefulness in the design process. In the fields of fluid dynamics and microfluidics, several simulation methods have been proposed and adopted to evaluate the properties of surfaces and material interfaces, thanks to the increasing computational power available. However, despite the efforts made, a general and standardized methodology for implementing such methods is still lacking, thus requiring a trial-and-error approach for each new problem, making them difficult to implement and creating a bottleneck at the initial stage of surface design.
View Article and Find Full Text PDFThe anomalous behavior of confined water at the nanoscale has remarkable implications in a number of nanotechnological applications. In this work, we analyze the effect of water self-diffusion on the dynamic properties of a solvated gadolinium-based paramagnetic complex, typically used for contrast enhancement in magnetic resonance imaging. In particular, we examine the effect of silica-based nanostructures on water behavior in the proximity of the paramagnetic complex via atomistic simulations, and interpret the resulting tumbling dynamics in the light of the local solvent modification based on the Lipari-Szabo formalism and of the fractional Stokes-Einstein relation.
View Article and Find Full Text PDFSpace cooling in buildings is anticipated to rise because of an increasing thermal comfort demand worldwide, and this calls for cost-effective and sustainable cooling technologies. We present a proof-of-concept multistage device, where a net cooling capacity and a temperature difference are demonstrated as long as two water solutions at disparate salinity are maintained. Each stage is made of two hydrophilic layers separated by a hydrophobic membrane.
View Article and Find Full Text PDFDespite their promising thermo-physical properties for direct solar absorption, carbon-based nanocolloids present some drawbacks, among which the unpleasant property of being potentially cytotoxic and harmful to the environment. In this work, a sustainable, stable and inexpensive colloid based on coffee is synthesized and its photo-thermal properties investigated. The proposed colloid consists of distilled water, Arabica coffee, glycerol and copper sulphate, which provide enhanced properties along with biocompatibility.
View Article and Find Full Text PDFTechnologies for solar steam generation with high performance can help solving critical societal issues such as water desalination or sterilization, especially in developing countries. Very recently, we have witnessed a rapidly growing interest in the scientific community proposing sunlight absorbers for direct conversion of liquid water into steam. While those solutions can possibly be of interest from the perspective of the involved novel materials, in this study we intend to demonstrate that efficient steam generation by solar source is mainly due to a combination of efficient solar absorption, capillary water feeding and narrow gap evaporation process, which can also be achieved through common materials.
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