Listar Papers publicados por CNAP por fecha de publicación
Mostrando ítems 81-91 de 91
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Soft or Hard? Investigating the Deformation Mechanisms of Au-Pd and Pd Nanocubes under Compression: An Experimental and Molecular Dynamics Study
(AMER CHEMICAL SOC, 2021-11-18)In the search for new mechanisms to improve and control the mechanical properties of nanostructures, the idea of tuning the strength through composition is appealing because of the extensive experimental availability of ... -
Development of "on-demand" thermo-responsive hydrogels for anti-cancer drugs sustained release: Rational design, in silico prediction and in vitro validation in colon cancer models
(ELSEVIER, 2021-12)A rational design accurate based on the use of Statistical Design of the Experiments (DoE) and Molecular Dynamics Simulations Studies allows the prediction and the understanding of thermo-responsive hydrogels prepared ... -
A Monte Carlo code for the collisional evolution of porous aggregates (CPA)
(EDP SCIENCES S A, 2023-03-29)Context. The collisional evolution of submillimeter-sized porous dust aggregates is important in many astrophysical fields.Aims. We have developed a Monte Carlo code to study the processes of collision between mass-asymmetric, ... -
Simulated nanoindentation into single-phase fcc FexNi1-x alloys predicts maximum hardness for equiatomic stoichiometry
(NATURE PORTFOLIO, 2023-06-16)We investigate by molecular dynamics simulation the mechanical behavior of concentrated alloys under nanoindentation for the special example of single-phase fcc FexNi1-x alloys. The indentation hardness is maximum for the ... -
Plastic behavior of a nanoporous high-entropy alloy under compression
(ELSEVIER, 2023-06-25)Nanoporous High-entropy alloys (HEA) have attracted increasing attention in recent years due to their remark-able mechanical properties and their capability as storage devices. However, chemical complexity involves ... -
Probing radiation resistance in simulated metallic core-shell nanoparticles
(ELSEVIER, 2023-08)We present molecular dynamics (MD) simulations of radiation damage in Fe nanoparticles (NP) and bimetallic FeCu core-shell nanoparticles (CSNP). The CSNP includes a perfect body-centered cubic (bcc) Fe core coated with a ... -
Spin-lattice-dynamics analysis of magnetic properties of iron under compression
(NATURE PORTFOLIO, 2023-08-31)Compression of a magnetic material leads to a change in its magnetic properties. We examine this effect using spin-lattice dynamics for the special case of bcc-Fe, using both single- and poly-crystalline Fe and a bicontinuous ... -
Impact of internal structure on aggregate collisions
(Oxford University Press, 2023-09-18)Granular-mechanics simulations are used to study collisions between granular aggregates. We compare the collision outcomes for three different types of aggregate: (i) aggregates constructed by a ballistic particle–cluster ... -
Electrochemical fabrication of nanowires poly (Indole-6-carboxylic acid) adorned with nanorod MnO2 for evaluation of its capacitive properties
(PERGAMON-ELSEVIER SCIENCE LTD, 2023-10-01)A poly(indole-6-carboxy acid) nanowire composite with & beta;-MnO2 nanorod (6-PICA|& beta;-MnO2-NRs) was prepared by an electrochemical method and hydrothermal. The incorporation of & beta;-MnO2-NRs and the formation of ... -
Poly(ethylene imine)-chitosan carbon dots: study of its physical-chemical properties and biological in vitro performance
(Springer New York, 2023-10-17)Carbon dots (CDs) have been quickly extended for nanomedicine uses because of their multiple applications, such as bioimaging, sensors, and drug delivery. However, the interest in increasing their photoluminescence properties ... -
Fast simultaneous electrochemical detection of Bisphenol-A and Bisphenol-S in urban wastewater using a graphene oxide-iron nanoparticles hybrid sensor
(PERGAMON-ELSEVIER SCIENCE LTD, 2023-11-10)In this work, a novel and sensitive electrochemical sensor was developed for the simultaneous determination of low concentration levels of Bisphenol-A (BPA) and Bisphenol-S (BPS) in a secondary effluent from a wastewater ...