Listar Centro de investigación de Nanotecnología Aplicada (CNAP) por título
Mostrando ítems 36-55 de 91
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Imogolite in water: Simulating the effects of nanotube curvature on structure and dynamics
(Elsevier BV, 2019-07)Imogolite is a fascinating inorganic nanotube that is found in nature or synthesized in a laboratory. The synthesis process is carried out in liquid media, and leads to the formation of almost monodisperse diameter nanotubes. ... -
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 ... -
Impulsive generation of < 100 & rang; dislocation loops in BCC iron
(IOP Publishing Ltd., 2020-07)The conditions for the formation of < 100 & rang; dislocation loops in body-centered cubic (BCC) iron were investigated via molecular dynamics simulations using a simplified model intended to mimic conditions in high energy ... -
In-Silico Design, Synthesis and Evaluation of a Nanostructured Hydrogel as a Dimethoate Removal Agent
(Chile. Universidad Mayor, 2018-01-04)This study describes the in-silico design, synthesis, and evaluation of a cross-linked PVA hydrogel (CLPH) for the absorption of organophosphorus pesticide dimethoate from aqueous solutions. The crosslinking effectiveness ... -
Increasing the temperature range of dipolar glass polymers through copolymerization: A first approach to dipolar glass copolymers
(Elsevier BV, 2020-08)This work introduces, for the first time, the dipolar glass copolymer concept as a new strategy to develop polymer dielectrics. Methacrylic monomers containing sulfone and nitrile groups were copolymerized with ... -
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 ... -
Inducing Porosity on Hollow Nanoparticles by Hypervelocity Impacts
(American Chemical Society, 2017)The large surface-to-volume ratio of hollow palladium nanoparticles (hNPs) offers room to improve their hydrogen storage capacity as well as their catalytic activity. However, a less explored possibility is to use, in ... -
Interaction of supported ionic liquids phases onto copper nanoparticles: A DFT study
(Elsevier, 2020-07-15)The interaction between Supported Ionic Liquids Phases (SILPs) based on triazole and copper nanoparticles was investigated using density functional theory calculations. Three triazolium cations (T1(+), T2(+), and T3(+)) ... -
Ion implantation in nanodiamonds: size effect and energy dependence
(NATURE PUBLISHING GROUP, 2018)Nanoparticles are ubiquitous in nature and are increasingly important for technology. They are subject to bombardment by ionizing radiation in a diverse range of environments. In particular, nanodiamonds represent a variety ... -
Layer-by-layer assembled gold nanoparticles/lower-generation (Gn <= 3) polyamidoamine dendrimers-grafted reduced graphene oxide nanohybrids with 3D fractal architecture for fast, ultra-trace, and label-free electrochemical gene nanobiosensors
(ELSEVIER ADVANCED TECHNOLOGY, 2018)Three layer-by-layer (LBL) assembled gold nanoparticles (AuNPs)/lower-generation (Gn <= 3) polyamidoamine dendrimer (PD) with reduced graphene oxide (rGO) as the core/mercaptopropinoic acid (MPA)/Au were successfully ... -
Layer-by-Layer-Assembled AuNPs-Decorated First-Generation Poly(amidoamine) Dendrimer with Reduced Graphene Oxide Core as Highly Sensitive Biosensing Platform with Controllable 3D Nanoarchitecture for Rapid Voltammetric Analysis of Ultratrace DNA Hybridization
(AMER CHEMICAL SOC, 2018)The structure and electrochemical properties of layer-by-layer-assembled gold nanoparticles (AuNPs)-decorated first-generation (G1) poly(amidoamine) dendrimer (PD) with reduced graphene oxide (rGO) core as a highly sensitive ... -
Magnon valley Hall effect in CrI3-based van der Waals heterostructures
(American Physical Society, 2020-05)Magnonic excitations in the two-dimensional (2D) van der Waals (vdW) ferromagnet chromium triiodide (CrI3) are studied. We find that bulk magnons exhibit a nontrivial topological band structure without the need for ... -
Mechanical Properties Obtained by Indentation of Hollow Pd Nanoparticles
(AMER CHEMICAL SOC, 2018)Palladium nanoparticles are technologically important for catalysis, hydrogen storage, and many other applications. Here, we investigate the mechanical properties of Pd hollow nanoparticles of different sizes and thicknesses ... -
MeV irradiation of tungsten nanowires: structural modifications
(IOP Publishing Ltd., 2020-05)In this work we use the Two Temperature Model coupled to Molecular Dynamics (TTM-MD) to study swift heavy ion irradiation of W finite nanowires. Au projectiles are considered with energies ranging from 20 to 50 MeV, which ... -
Modeling habitat suitability and spread dynamics of two invasive rose species in protected areas of Mendoza, Argentina
(Elsevier, 2020-12)Biological invasions are a main threat to biodiversity and natural resources, which calls for studies that identify the regions that present the greatest invasion risks. We assessed the potential distribution of two ... -
Molecular dynamics simulations of thermal conductivity between two nanoparticles in contact
(American Institute of Physics, 2020-06)The nanoscale properties of materials can have a great influence on their macroscopic behavior; for instance, the generation and accumulation of defects at the nanoscale, such as point defects, porosity, and interfaces, ... -
Molecular simulations of carbon allotropes in processes with creation and destruction of chemical bonds
(PERGAMON-ELSEVIER SCIENCE LTD, 2019)The development of sophisticated interatomic potentials for classical molecular dynamics and Monte Carlo simulations has several advantages, but also some drawbacks. One of them is the increase in their complexity, which ... -
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). ... -
Nanohybrids of reduced graphene oxide and cobalt hydroxide (Co(OH)(2)|rGO) for the thermal decomposition of ammonium perchlorate
(Royal Society of Chemistry, 2020-06-18)The catalytic activity of nanoparticles of cobalt hydroxide supported on reduced graphene oxide, Co(OH)(2)|rGO, was studied for the decomposition of ammonium perchlorate (AP), the principal ingredient of composite solid ... -
Nanoindentation of polycrystalline Pd hollow nanoparticles: Grain size role
(Elsevier, 2020-06)Polycrystalline hollow nanoparticles present a unique combination of strength and flexibility. However, the exact role displayed by their grain structure in mechanical properties has not been yet fully understood. Here, ...