A Coupled Equations Model for Epitaxial Growth on Textured Surfaces

We have developed a continuum model that explains the complex surface shapes observed in epitaxial regrowth on micron scale gratings. This model describes the dependence of the surface morphology on film thickness and growth temperature in terms of a few simple atomic scale processes including adatom diffusion, step-edge attachment and detachment, and a net downhill migration of surface adatoms. The continuum model reduces to the linear part of the Kardar-Parisi-Zhang equation with a flux dependent smoothing coefficient in the long wavelength limit.Comment: 11 pages, 4 figures. Submitted to the Journal of Crystal Growt

Entanglement and the nonlinear elastic behavior of forests of coiled carbon nanotubes

Helical or coiled nanostructures have been object of intense experimental and theoretical studies due to their special electronic and mechanical properties. Recently, it was experimentally reported that the dynamical response of foamlike forest of coiled carbon nanotubes under mechanical impact exhibits a nonlinear, non-Hertzian behavior, with no trace of plastic deformation. The physical origin of this unusual behavior is not yet fully understood. In this work, based on analytical models, we show that the entanglement among neighboring coils in the superior part of the forest surface must be taken into account for a full description of the strongly nonlinear behavior of the impact response of a drop-ball onto a forest of coiled carbon nanotubes.Comment: 4 pages, 3 figure

Designing Conducting Polymers Using Bioinspired Ant Algorithms

Ant algorithms are inspired in real ants and the main idea is to create virtual ants that travel into the space of possible solution depositing virtual pheromone proportional to how good a specific solution is. This creates a autocatalytic (positive feedback) process that can be used to generate automatic solutions to very difficult problems. In the present work we show that these algorithms can be used coupled to tight-binding hamiltonians to design conducting polymers with pre-specified properties. The methodology is completely general and can be used for a large number of optimization problems in materials science

Mechanical properties of Graphene Nanoribbons

Herein, we investigate the structural, electronic and mechanical properties of zigzag graphene nanoribbons upon the presence of stress applying Density Functional Theory within the GGA-PBE approximation. The uniaxial stress is applied along the periodic direction, allowing a unitary deformation in the range of +/- 0.02%. The mechanical properties show a linear-response within that range while the non-linear dependence is found for higher strain. The most relevant results indicate that Young's modulus is considerable higher than those determined for graphene and carbon nanotubes. The geometrical reconstruction of the C-C bonds at the edges hardness the nanostructure. Electronic structure features are not sensitive to strain in this linear elastic regime, being an additional promise for the using of carbon nanostructures in nano-electronic devices in the near future.Comment: 30 pages. J. Phys.: Condens. Matter (accepted

Fluorographynes: Stability, Structural and Electronic Properties

The presence in the graphyne sheets of a variable amount of sp2/sp1 atoms, which can be transformed into sp3-like atoms by covalent binding with one or two fluorine atoms, respectively, allows one to assume the formation of fulorinated graphynes (fluorographynes) with variable F/C stoichiometry. Here, employing DFT band structure calculations, we examine a series of fluorographynes, and the trends in their stability, structural and electronic properties have been discussed as depending on their stoichiometry: from C2F3 (F/C= 1.5) to C4F7 (F/C= 1.75).Comment: 13 pages, 3 table

Modelling negative linear compressibility in tetragonal beam structures

Copyright © 2012 Elsevier. NOTICE: this is the author’s version of a work that was accepted for publication in Mechanics of Materials. Changes resulting from the publishing process, such as peer review, editing, corrections, structural formatting, and other quality control mechanisms may not be reflected in this document. Changes may have been made to this work since it was submitted for publication. A definitive version was subsequently published in Mechanics of Materials, Volume 46 (2012), DOI: 10.1016/j.mechmat.2011.12.007Most materials compress axially in all directions when loaded hydrostatically. Contrary to this, some materials have been discovered that exhibit negative linear compressibility and, as such, expand along a specific axis or plane. This paper analyses a fundamental mechanism by using a combination of finite element simulations and analytical derivations to show that negative linear compressibility can be found in a body-centred or face-centred tetragonal network of nodes connected by a network of beams. The magnitude and direction of this behaviour depends on the cross geometry in the network

Nonuniversal mound formation in nonequilibrium surface growth

We demonstrate, using well-established nonequilibrium limited-mobility solid-on-solid growth models, that mound formation in the dynamical surface growth morphology does not necessarily imply the existence of a surface edge diffusion bias (the Schwoebel barrier). We find mounded morphologies in several nonequilibrium growth models which incorporate no Schwoebel barrier. Our numerical results indicate that mounded morphologies in nonequilibrium surface growth may arise from a number of distinct physical mechanisms, with the Schwoebel instability being one of them.Comment: 5 pages, 4 ps figures included, accepted for publication in Surface Science Letter

The motion of a ball moving down a circular path

The problem of a body slipping down a frictionless hemisphere is very common in physics and engineering textbooks. In this type of problem, students are normally asked to find the angle at which the body flies off the surface. In this work, we have constructed an apparatus to determine the angle at which a ball flies off a circular track, and to study the motion of the ball (rolling and slipping) along the surface. The apparatus is comprised of two parallel rails that form a quarter circle. The angular position and velocity of a steel ball are measured using a moveable arm equipped with a photodetector. Two methods are used to determine the angle the ball loses contact with the track. Both methods provide values in agreement with a model for rolling followed by slipping. (C) 2017 American Association of Physics Teachers.The problem of a body slipping down a frictionless hemisphere is very common in physics and engineering textbooks. In this type of problem, students are normally asked to find the angle at which the body flies off the surface. In this work, we have constr852124129sem informaçãosem informaçã