Search Results - "Vargas‐Lara, Fernando"
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Knot Energy, Complexity, and Mobility of Knotted Polymers
Published in Scientific reports (17-10-2017)“…The Coulomb energy E C is defined by the energy required to charge a conductive object and scales inversely to the self–capacity C , a basic measure of object…”
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The role of monomer geometry on the properties of polyolefins: A numerical study
Published in Journal of polymer science (2020) (01-05-2024)“…We explore the role of monomer geometry on the structural, dynamic, and thermodynamic properties of polyolefis by employing all‐atom molecular dynamic…”
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3
Stability of DNA-linked nanoparticle crystals: effect of number of strands, core size, and rigidity of strand attachment
Published in The Journal of chemical physics (28-06-2011)“…Three-dimensional ordered lattices of nanoparticles (NPs) linked by DNA have potential applications in novel devices and materials, but most experimental…”
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4
Internal Structure of Nanoparticle Dimers Linked by DNA
Published in ACS nano (28-08-2012)“…We construct nanoparticle dimers linked by DNA. These dimers are basic units in a possible multiscale, hierarchical assembly and serve as a model system to…”
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5
Giant Surface Conductivity Enhancement in a Carbon Nanotube Composite by Ultraviolet Light Exposure
Published in ACS applied materials & interfaces (07-09-2016)“…Carbon nanotube composites are lightweight, multifunctional materials with readily adjustable mechanical and electrical propertiesrelevant to the aerospace,…”
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6
Structure and Dynamics of a Graphene Melt
Published in ACS nano (26-06-2018)“…We explore the structural and dynamic properties of bulk materials composed of graphene nanosheets using coarse-grained molecular dynamics simulations…”
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7
Single-Chain Conformation of Poly(α-olefins) in Dilute Solutions at the Crossover between Linear and Bottlebrush Architectures
Published in Macromolecules (27-07-2021)“…The size and conformation of a series of poly(α-olefin) homopolymers in good solvent conditions were measured by a combination of small-angle neutron…”
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8
Molecular rigidity and enthalpy-entropy compensation in DNA melting
Published in Soft matter (15-11-2017)“…Enthalpy-entropy compensation (EEC) is observed in diverse molecular binding processes of importance to living systems and manufacturing applications, but this…”
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Quantifying Chemical Composition and Cross-link Effects on EPDM Elastomer Viscoelasticity with Molecular Dynamics
Published in Macromolecules (27-07-2021)“…To understand the effect of chemical composition, cross-link density, and microstructure on the linear and nonlinear viscoelasticity of ethylene propylene…”
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10
Modeling short-chain branched polyethylenes in dilute solution under variable solvent quality conditions: Basic configurational properties
Published in Polymer (Guilford) (05-03-2021)“…We perform molecular dynamics (MD) simulations of a coarse-grained model of linear low-density polyethylenes (LLDPEs) having short-chain branching in an…”
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11
Tack of Entangled Molecular Bottlebrushes
Published in ACS macro letters (21-03-2023)“…Polymer softness (i.e., low elastic modulus) is a known requirement for good tack in adhesives. We assess the tack performance of α-olefin molecular…”
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12
Electromagnetic Scattering From Individual Crumpled Graphene Flakes: A Characteristic Modes Approach
Published in IEEE transactions on antennas and propagation (01-11-2017)“…Graphene flakes (GFs) in real composites are rarely perfectly flat, and often exhibit complicated crumpled shapes. Therefore, the goal of this paper was to…”
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13
Solution properties of spherical gold nanoparticles with grafted DNA chains from simulation and theory
Published in Nanoscale advances (27-09-2022)“…There has been a rapidly growing interest in the use of functionalized Au nanoparticles (NPs) as platforms in multiple applications in medicine and…”
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14
Electromagnetic Resonances of Individual Single-Walled Carbon Nanotubes With Realistic Shapes: A Characteristic Modes Approach
Published in IEEE transactions on antennas and propagation (01-07-2016)“…In composites, carbon nanotubes (CNTs) are rarely perfectly straight and they usually exhibit complex shapes. In this paper, we employ the method-of-moments…”
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15
Electromagnetic Scattering From Multiple Single-Walled Carbon Nanotubes Having Tumbleweed Configurations
Published in IEEE transactions on antennas and propagation (01-06-2017)“…Carbon nanotubes (CNTs) exhibit highly complicated structures when incorporated in composites and are neither perfectly straight nor aligned in any one…”
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16
Fiber Network Formation in Semi-Flexible Polymer Solutions: An Exploratory Computational Study
Published in Gels (22-03-2018)“…The formation of gels through the bundling of semi-flexible polymer chains into fiber networks is ubiquitous in diverse manufactured and natural materials,…”
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17
High-speed, high-purity separation of gold nanoparticle-DNA origami constructs using centrifugation
Published in Soft matter (07-10-2014)“…DNA origami is a powerful platform for assembling gold nanoparticle constructs, an important class of nanostructure with numerous applications. Such constructs…”
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18
Dimensional reduction of duplex DNA under confinement to nanofluidic slits
Published in Soft matter (14-11-2015)“…There has been much interest in the dimensional properties of double-stranded DNA (dsDNA) confined to nanoscale environments as a problem of fundamental…”
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Electromagnetic scattering properties of individual Carbon Nanotubes with realistic three dimensional shapes
Published in 2015 USNC-URSI Radio Science Meeting (Joint with AP-S Symposium) (01-07-2015)“…Carbon Nanotubes (CNT) in composites exhibit a wide variety of complex shapes and are rarely perfectly straight even when they are highly aligned. Moreover,…”
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Conference Proceeding -
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Polarizability tensors of Carbon Nanotubes and Graphene Sheets with realistic shapes
Published in 2015 USNC-URSI Radio Science Meeting (Joint with AP-S Symposium) (01-07-2015)“…Carbon Nanotube (CNT) and Graphene Sheets (GS) dispersed in composites exhibit a variety of shapes that are controlled by many factors such as how the CNT/GS…”
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Conference Proceeding