RSS 1.0Centro de investigación de Nanotecnología Aplicada (CNAP)
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Papers publicados por CNAP
Contiene los artículos/papers publicados por CNAP en revistas nacionales e internacionales
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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 ... -
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 ... -
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 ... -
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 ... -
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 ... -
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 ... -
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, ... -
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 ... -
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 ... -
Effect of the monomers ratio in the electrosynthesis of poly (aniline-co-o-methoxyaniline) on steel corrosion protection
(SOC CHILENA QUIMICA, 2020-12)In this work, the synthesis of poly(aniline-co-o-methoxyaniline) was carried out on AISI 304 steel, by voltammetric or potentiostatic method. Electropolymerization was achieved from different ratios of 0.4 mol.L-1 ... -
Spin-lattice dynamics of surface vs core magnetization in Fe nanoparticles
(AIP Publishing, 2021-07-05)Magnetization of clusters is often simulated using atomistic spin dynamics for a fixed lattice. Coupled spin-lattice dynamics simulations of the magnetization of nanoparticles have, to date, neglected the change in the ... -
New Hybrid Copper Nanoparticles/Conjugated Polyelectrolyte Composite with Antibacterial Activity
(MDPI, 2021-02)In the search for new materials to fight against antibiotic-resistant bacteria, a hybrid composite from metallic copper nanoparticles (CuNPs) and a novel cationic pi-conjugated polyelectrolyte (CPE) were designed, synthesized, ... -
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 ... -
Testing the Test: A Comparative Study of Marine Microbial Corrosion under Laboratory and Field Conditions
(AMER CHEMICAL SOC, 2021-06-25)Microbially influenced corrosion (MIC) is an aggressive type of corrosion that occurs in aquatic environments and is sparked by the development of a complex biological matrix over a metal surface. In marine environments, ... -
Development of a PHBV nanoparticle as a peptide vehicle for NOD1 activation
(TAYLOR & FRANCIS LTD, 2021-06-08)NOD1 is an intracellular receptor that, when activated, induces gene expression of pro-inflammatory factors promoting macrophages and neutrophils recruitment at the infection site. However, iE-DAP, the dipeptide agonist ... -
Molecular Weight Enables Fine-Tuning the Thermal and Dielectric Properties of Polymethacrylates Bearing Sulfonyl and Nitrile Groups as Dipolar Entities
(MDPI, 2021-02-22)In this work, polymethacrylates containing sulfonyl and nitrile functional groups were successfully prepared by conventional radical polymerization and reversible addition-fragmentation chain-transfer polymerization (RAFT). ... -
Novel Polyelectrolytes Obtained by Direct Alkylation and Ion Replacement of a New Aromatic Polyamide Copolymer Bearing Pyridinyl Pendant Groups
(MDPI, 2021-07-05)The following work shows, for the first time, the synthesis and characterization of a new family of polyelectrolytes, along with their preliminary assessments in terms of desalin water treatment. These materials fall into ... -
Indentation and scratching of iron by a rotating tool-a molecular dynamics study
(ELSEVIER, 2021-06-15)When abrasive particles interact with a surface, besides translational center-of-mass motion also rotational motion of the abrasive may be involved. We perform molecular dynamics simulations of the influence of the rotational ... -
Construction of 0D/2D composites heterostructured of CdTe QDs/ZnO hybrid layers to improve environmental remediation by a direct Z-scheme
(ELSEVIER, 2021-09-19)Layered hybrid ZnO (2D) intercalated by myristic acid (MA) with (0D) CdTe quantum dots (QDs) was designed to increase the conversion efficiency of photochemical energy. The results showed that the introduction of CdTe QDs ... -
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 ...