Materials Literature
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We report on the wetting dynamics of a 4.3 μL deionized (DI) water droplet impinging on microtextured aluminum (Al 6061) surfaces, including microhole arrays (hole diameter 125 μm and hole depth 125 μm) fabricated using a conventional microcomputer numerically controlled (μ-CNC) milling machine. This study examines th…
We derive a general relation between the fine structure splitting (FSS) and the exciton polarization angle of self-assembled quantum dots (QDs) under uniaxial stress. We show that the FSS lower bound under external stress can be predicted by the exciton polarization angle and FSS under zero stress. The critical stress…
Using broadband dielectric spectroscopy, we studied the temperature dependence of ionic conductivity and structural relaxation in a number of polymers. We demonstrate that temperature dependence of ionic conductivity can be decoupled from structural relaxation in a material specific way. We show that the strength of t…
ABSTRACT Mango is a commercial but highly perishable fruit, and therefore, a longer shelf life is necessary for its successful marketing and consumer satisfaction. This study aims at evaluating the effects of edible coating, based on pectin, on the quality and shelf‐life extension of mangoes. The coating formulations…
We report a mesoscale modeling of the liquid-vapor interface of water. A mesoscopic model of water has been established in dissipative particle dynamics (DPD) to reproduce the interfacial properties of water. The surface tension and coexisting densities are compared between atomistic and mesoscopic simulations. Simple…
The nonlinear Langevin equation theory of segmental relaxation, elasticity, and nonlinear mechanical response of deformed polymer glasses with aging and mechanical rejuvenation processes taken into account is applied to study material response under a constant strain rate deformation. In the postyield softening regime…
The quest for novel two-dimensional materials has led to the discovery of hybrids where graphene and hexagonal boron nitride (h-BN) occur as phase-separated domains. Using first-principles calculations, we study the energetics and electronic and magnetic properties of such hybrids in detail. The formation energy of qu…
Electrons in double-layer semiconductor heterostructures experience a special type of spin-orbit interaction which arises in each layer from the perpendicular component of the Coulomb electric field created by electron density fluctuations in the other layer. We show that this interaction, acting in combination with t…
The implementation of screened hybrid functionals into the WIEN2k code, which is based on the LAPW basis set, is reported. The Hartree-Fock exchange energy and potential are screened by means of the Yukawa potential as proposed by Bylander and Kleinman [Phys. Rev. B 41, 7868 (1990)] for the calculation of the electron…
The structure of liquid water at ambient conditions is studied in ab initio molecular dynamics simulations using van der Waals (vdW) density-functional theory, i.e. using the new exchange-correlation functionals optPBE-vdW and vdW-DF2. Inclusion of the more isotropic vdW interactions counteracts highly directional hyd…
We explore the possibility of modifying the multiplicity of the basic cluster in the entropy functional used in the cluster variation method so that truncation errors owing to finite size of the basic cluster may be corrected. The numerical value of this multiplicity is found by requiring the modified CVM entropy func…
Third order perturbation theory is used to calculate the orthorhombic spin-Hamiltonian zero-field E-term for octahedrally surrounded d3 spin systems (S = 3/2) in strong axial fields in the presence of a weak orthorhombic component.
Coherent control of optically injected carrier distributions in single and bilayer graphene allows the injection of electrical currents. Using a tight-binding model and Fermi's golden rule, we derive the carrier and photocurrent densities achieved via interference of the quantum amplitudes for two-photon absorption at…
Aqueous colloidal mesoporous nanoparticles with ethenylene-bridged silsesquioxane frameworks with a uniform diameter of ∼20 nm were prepared from bis(triethoxysilyl)ethenylene in a basic aqueous solution containing cationic surfactants. The nanoparticles, which had higher hydrolysis resistance under aqueous conditions…
Most molecular self-assembly strategies involve equilibrium systems, leading to a single thermodynamic product as a result of weak, reversible non-covalent interactions. Yet, strong non-covalent interactions may result in non-equilibrium self-assembly, in which structural diversity is achieved by forming several kinet…
Biexciton photoluminescence (PL) quantum yields (Q(2X)) of individual CdSe/CdS core-shell nanocrystal quantum dots with various shell thicknesses are derived from independent PL saturation and two-photon correlation measurements. We observe a near-unity Q(2X) for some nanocrystals with an ultrathick 19-monolayer shell…
A novel method for high-speed fabrication of large scale periodic arrays of nanoparticles (diameters 40-200 nm) is developed. This method is based on a combination of nanosphere lithography and laser-induced transfer. Fabricated spherical nanoparticles are partially embedded into a polymer substrate. They are arranged…
Carbon-based nanomaterials, such as carbon nanotubes, are well-known for their unique physical properties. They have attracted interest as reinforcing fillers because of their superb mechanical properties (Young’s modulus ≥1 TPa and tensile strength = 100–150 GPa). However, the success of the reinforcement has been li…
Getting hotter: Hot spots that enable detection of surface-enhanced Raman scattering (SERS) from a single molecule can form at the nanocube–substrate interface by simply depositing a silver nanocube onto a metal substrate (see picture). This new approach offers great simplicity for the formation of robust and fully ac…
Abstract Rice leaves with anisotropic sliding properties have the ability to directionally control the movement of water microdroplets. However, the realization of artificial anisotropic sliding biosurfaces has remained challenging. It is found, by a systematic investigation, that the height of 200‐μm‐width groove arr…