Materials Literature
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The phase diagram of soft spheres with size dispersion is studied by means of an optimized Monte Carlo algorithm which allows us to equilibrate below the kinetic glass transition for all size distributions. The system ubiquitously undergoes a first-order freezing transition. While for a small size dispersion the froze…
A low temperature process for transferring carbon nanotube (CNT) film from a silicon wafer to a copper surface via conductive polymer composites is proposed. The morphologies and electrical properties of the transferred CNT films were studied. An ohmic contact was formed between a CNT film and a highly conductive poly…
In the framework of density-functional theory, the structural and magnetic properties of FeN mononitride have been investigated using the all-electron augmented spherical wave method with a generalized gradient approximation functional for treating the effects of exchange and correlation. Calculation of the energy ver…
Density functional theory ab initio calculations of the structural parameters, electronic structure, carriers' effective masses, and optical absorption of orthorhombic CaSnO 3 were performed within the local density and generalized gradient approximations, LDA and GGA, respectively. A good agreement between the calcul…
For potential application of zeolite in environmental protection, the instantaneous adsorption of volatile nitrosamines in gas stream by zeolites was studied by a gas chromatography technique. Three volatile nitrosamines, N -nitrosodimethylamine, N -nitrosopyrrolidine, and N -nitrosohexamethyleneimine, were chosen as…
A series of degradable polyurethane-based light-curable elastic hydrogels were synthesized from polycaprolactone diol, polyethylene glycol (PEG), lysine diisocyanate (LDI), and 2-hydroxyethyl methacrylate (HEMA) through UV light initiated polymerization reaction. LDI was used as hard segment and polycaprolactone (PCL)…
The purpose of this research was to develop and characterize a novel, slowly degrading polyester-urethane. In this study, a polyester-urethane with a crystalline segment of poly((R)-3-hydroxybutyric acid)-diol linked by a diisocyanate to an amorphous segment of poly(epsilon-caprolactone-co-glycolide)-diol was synthesi…
Tellurite glasses (amorphous TeO 2 based materials) have two useful optical properties, a high refractive index and high optical nonlinearity, that make them attractive for a range of applications. Unlike other metal oxide nanoparticles that are prepared in large quantities by vapor-phase processes, TeO 2 nanoparticle…
The enhancement of self and probe diffusivity over the Stokes–Einstein values by orders of magnitude is observed in the viscous regime of polymers, molecular glass-formers and supercooled metallic systems. We investigate an alternative to identifying enhanced diffusivity with the fast components of the primary structu…
The formation of a complex between an anionic spherical polyelectrolyte brush (SPB) and the cationic surfactant cetyltrimethylammonium bromide (CTAB) is investigated. The SPB consists of long chains of the strong polyelectrolyte poly(styrene sulfonate) (PSS), which are bound chemically to a solid poly(styrene) core of…
The energetic and structural changes taking place upon rotation of the central phenylene of 1,4-bis(3,3,3-triphenylpropynyl)benzene in the solid state were computed using molecular mechanics calculations. Pseudopolymorphic crystals of a benzene clathrate (1A) and a desolvated form (1B) were analyzed with models that a…
The prokaryotic cytoplasmic membrane not only maintains cell integrity and forms a barrier between the cell and its outside environment, but is also the location for essential biochemical processes. Microbial model systems provide excellent bases for the study of fundamental problems in membrane biology including sign…
The electrical conductivity and viscosity of borosilicate glass-forming melts were studied over a wide composition and temperature range above the transition temperature ${T}_{g}$. High-temperature Raman spectroscopy was used to characterize the structure of both molten and glassy states of the system. The temperature…
The melt rheology of reactively compatibilized polyamide 6/styrene−acrylonitrile (PA 6/SAN) blends was studied in linear viscoelastic shear oscillations, simple elongation to a large stretch ratio, and subsequent recovery. In addition, we examined and quantified the blend morphology and the flow-induced changes of the…
The supramolecular conductor (Me-3,5-DIP)[Ni(dmit) 2 ] 2, which was prepared by electrochemical oxidation, consists of two crystallographically independent layers of Ni(dmit) 2 anions (Layers I and II). The tight-binding band calculation suggests that Layer I is in a Mott insulating state to include localized spins, a…
High Resolution Image Download MS PowerPoint Slide As an attempt to study large systems involving weak interactions, we simulated the adsorption procedure of the coenzyme flavin adenine dinucleotide (FAD) interacting with semiconducting (10,0) and metallic (5,5) carbon nanotubes (CNTs) using a density functional tight…
A cornerstone of modern polymer physics is the "Flory ideality hypothesis" which states that a chain in a polymer melt adopts "ideal" random-walk–like conformations. Here we revisit theoretically and numerically this pivotal assumption and demonstrate that there are noticeable deviations from ideality. The deviations…
Abstract SnS nanocrystals (NCs) were synthesized from bis(diethyldithiocarbamato) tin(II) in oleylamine at elevated temperature. High-resolution transmission electron microscopy (HRTEM) investigation and X-ray diffraction (XRD) analysis showed that the synthesized SnS particles are monocrystalline with an orthorhombic…
This article presents the successful large-batch synthesis of a resorbable polymer with a minimal amount of residual tin. Ring-opening polymerization of epsilon-caprolactone was performed in toluene, with a tin (IV) alkoxide as the initiator. A number of parameters were varied in order to study the polymerization with…
We investigated the Gilbert damping constant of the Heusler Co 2 MnSi(001) films epitaxially grown on a MgO(100) substrate by a ferromagnetic resonance technique. The angular variation in resonance field in the in-plane geometry exhibited a maximum when the field was applied parallel to the [110] direction (easy axis)…