Materials Literature
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An automated approach (TexGen) for modeling the geometry of textile structures is presented. This model provides a generic approach to the description of yarn geometry and yarn interlacement for all types of weaving. One feature of this model is that the shape and size of the cross sections may change locally; this is…
We demonstrate epoxy-silver nanoparticle composites with high thermal conductivity κ enabled by self-constructed nanostructured networks (SCNN) forming during the curing process at relatively low temperatures (150 °C). The networks formation mechanism involves agglomeration of the polyvinylpyrrolidone (PVP) coated nan…
Color schemes: A mechanochromic material composed of two types of peptides bearing a pyrene group and rhodamine B moieties, respectively, displays multiluminescent colors, such as blue, green, and reddish in one sample (see picture). The mechanochromic behavior is based on a combined switching of molecular assemblies…
Silver nanoparticles production by the green chemistry approach was investigated using an isolated marine actinomycetes strain. The isolated strain was identified as Streptomyces albidoflavus based on chemotaxonomic and ribotyping properties. The strain revealed production of silver nanoparticles both extracellular an…
The integration of metal-enhanced fluorescence (MEF) and surface-enhanced Raman scattering (SERS) onto single plasmonic nanoparticles is highly desirable to boost up accuracy and sensitivity in spectroscopic investigations. In this work, we demonstrate the feasibility of performing both MEF and SERS analysis on gold n…
In correlated electron materials, the application of many-body techniques for the study of interaction effects or unconventional superconductivity often requires the formulation of an effective low-energy model that contains only the relevant bands near the Fermi level. However, the bands away from the Fermi level are…
The controversy regarding the ferroelectric behavior of hexagonal InMnO${}_{3}$ is resolved by using a combination of x-ray diffraction (XRD), piezoresponse force microscopy (PFM), second harmonic generation (SHG), and density functional theory (DFT). While XRD data show a symmetry-lowering unit-cell tripling, which i…
We have extended the search for topological insulators to the ternary tetradymite-like compounds M2X2Y (M = Bi or Sb; X and Y = S, Se or Te), which are variations of the well-known binary compounds Bi2Se3 and Bi2Te3. Our first-principles computations suggest that five existing compounds are strong topological insulato…
The adsorption behavior and the magnetic states of cobalt atoms and dimers on single vacancies in a graphene sheet are investigated by means of relativistic density functional calculations. It is found that local magnetic moments are formed in both cases, despite strong chemical binding. Of particular interest are kin…
We study the modulational instability of recently designed magnetoelastic metamaterials composed of elastic-mediated split-ring resonators (SRR). An effective circuit model is developed. Then four cases are studied: a dimer of SRR, one-dimension (1D) dimerized array, 1D uniform array and two-dimension layered array. I…
We present a method for performing time domain simulations of a microphotonic system containing a four level gain medium based on the finite element method. This method includes an approximation that involves expanding the pump and probe electromagnetic fields around their respective carrier frequencies, providing a d…
We have performed a first principles study of structural, mechanical, electronic, and optical properties of orthorhombic Sb2S3 and Sb2Se3 compounds using the density functional theory within the local density approximation. The lattice parameters, bulk modulus, and its pressure derivatives of these compounds have been…
The measurements of the magnetic susceptibility, magnetization, electrical resistivity and magnetoresistance have been performed for the Fe intercalated compound Fe0.5TiS2. According to X-ray diffraction measurements the Fe0.5TiS2 compound synthesized in the present work has a monoclinic crystal structure (space group…
Since graphene nanoribbons are thin and flimsy, they need support. Support gives firm ground for applications, and adhesion holds ribbons flat, although not necessarily straight: Ribbons with a high aspect ratio are prone to bend. The effects of bending on ribbons' electronic properties, however, are unknown. Therefor…
Carbonated hydroxyapatite is the mineral found in vertebrate bones and teeth, whereas invertebrates utilize calcium carbonate in their mineralized organs. In particular, stable amorphous calcium carbonate is found in many crustaceans. Here we report on an unusual, crystalline enamel-like apatite layer found in the man…
Due to the very limited availability of 3He, new kinds of neutron detectors, not based on 3He, are urgently needed. Here, we present a method to produce thin films of 10B4C, with maximized detection efficiency, intended to be part of a new generation of large area neutron detectors. B4C thin films have been deposited…
Four analytical methods for determination of cation exchange capacity (CEC) in tropical soils were tested, aiming to define what the most appropriate based on the requirements: analysis time, degree of reliability and cost of operation. A total of 444 soil samples from the Amazon rainforest and Atlantic rainforest wer…
A new Python-based graphical user interface for the PHENIX suite of crystallography software is described. This interface unifies the command-line programs and their graphical displays, simplifying the development of new interfaces and avoiding duplication of function. With careful design, graphical interfaces can be…
We present a study of the second-order nonlinear optical properties of metal-based metamaterials. A hydrodynamic model for electronic response is used, in which nonlinear surface contributions are expressed in terms of the bulk polarization. The model is in good agreement with published experimental results, and clari…
Because of the edge states and quantum confinement, the shape and size of graphene nanostructures dictate their electrical, optical, magnetic and chemical properties. The current synthesis methods for graphene nanostructures do not produce large quantities of graphene nanostructures that are easily transferable to dif…