Nabanita Saikia、Swapan K. Pati、Ramesh C. Deka2012-05-12Applied Nanoscience
One-dimensional nanostructures such as nanowires and nanotubes are stimulating tremendous research interest due to their structural, electronic and magnetic properties. We perform first principles calculation using density functional theory on the structural, and electronics properties of BNNTs adsorbed with isoniazid…
Graphene research and applicationsBoron and Carbon Nanomaterials ResearchMXene and MAX Phase Materials
David C. Grinter、Marco Nicotra、G. Thornton2012-05-12The Journal of Physical Chemistry C
The adsorption and reactivity of acetic acid on anatase TiO 2 (101) has been investigated with scanning tunneling microscopy (STM). At low coverage, acetic acid is observed to have a characteristic appearance in STM consistent with a dissociative bidentate binding geometry. At room temperature acetic acid has a relati…
Catalytic Processes in Materials ScienceCopper-based nanomaterials and applicationsElectronic and Structural Properties of Oxides
Gina Sternschuss、Donald R. Ostergard、Hiren Patel2012-05-12The Journal of Urology
PURPOSE: We reviewed the mechanisms by which polypropylene mesh changes after implantation in the human body. MATERIALS AND METHODS: The existing polymer and medical literature was reviewed regarding polypropylene, including its chemical characteristics, and compositional and physical properties, which undergo alterat…
Polymer crystallization and propertiesPolymer Nanocomposites and PropertiesPolymer Nanocomposite Synthesis and Irradiation
M. M. Glazov、D. S. Smirnov2012-05-12arXiv
Theoretical description of electron spin orientation and detection by short optical pulses is proposed for the ensembles of the singly charged semiconductor nanocrystals. The complex structure of the valence band in spherical nanocrystals is taken into account. We demonstrate that the direction of electron spin inject…
Mesoscale and Nanoscale PhysicsMaterials Science
Nicola Marzari、Arash A. Mostofi、Jonathan R. Yates 等 5 位作者2012-05-12arXiv
The electronic ground state of a periodic system is usually described in terms of extended Bloch orbitals, but an alternative representation in terms of localized "Wannier functions" was introduced by Gregory Wannier in 1937. The connection between the Bloch and Wannier representations is realized by families of trans…
Materials Science
Bogdan Ranguelov、Vesselin Tonchev、Chaouqi Misbah2012-05-12arXiv
We study the step bunching process in three different 1D step flow models and obtain scaling relations for the step bunches formed in the long times limit. The first one was introduced by S.Stoyanov [Jap. J.Appl. Phys. 29, (1990) L659] as the simplest 'realistic' model of step bunching due to drift of the adatoms. Her…
Materials Sciencenlin.AOnlin.PSphysics.comp-ph
Oleg E. Peil、Andrei V. Ruban、Börje Johansson2012-05-12arXiv
We present an efficient and accurate method for calculating electronic structure and related properties of random alloys with a proper treatment of local environment effects. The method is a generalization of the locally self-consistent Green's function (LSGF) technique for the exact muffin-tin orbital (EMTO) method.…
Materials Sciencephysics.comp-ph
Roxane Arruffat Massion、L. S. Toth、Jean-Philippe Mathieu2012-05-12arXiv
A flow line function is proposed to describe the material deformation in ECAE for a 120\degree die. This new analytical approach is incorporated into a viscoplastic self-consistent polycrystal code to simulate the texture evolution in Route A of copper and compared to experimental textures as well as to those correspo…
Materials Science
Antonio Martínez‐Abad、José M. Lagarón、M.J. Ocio2012-05-12Journal of Agricultural and Food Chemistry
The use of silver as an antimicrobial in the food area has raised wide interest in recent years. In the present work, 0.001-10 wt % silver ions was satisfactorily incorporated into an ethylene-vinyl alcohol (EVOH) copolymer matrix by a solvent casting technique. The antibacterial efficacy of the composite was evaluate…
Nanoparticles: synthesis and applicationsNanocomposite Films for Food PackagingConducting polymers and applications
Chloe N. Grover、J.H. Gwynne、Nicholas Pugh 等 7 位作者2012-05-12Acta Biomaterialia
This study focuses on determining the effect of varying the composition and crosslinking of collagen-based films on their physical properties and interaction with myoblasts. Films composed of collagen or gelatin and crosslinked with a carbodiimide were assessed for their surface roughness and stiffness. These samples…
Bone Tissue Engineering MaterialsOrthopaedic implants and arthroplastyCollagen: Extraction and Characterization
Dattatray J. Late、Bin Liu、H. S. S. Ramakrishna Matte 等 5 位作者2012-05-12ACS Nano
Field effect transistors using ultrathin molybdenum disulfide (MoS(2)) have recently been experimentally demonstrated, which show promising potential for advanced electronics. However, large variations like hysteresis, presumably due to extrinsic/environmental effects, are often observed in MoS(2) devices measured und…
2D Materials and ApplicationsNanowire Synthesis and ApplicationsFerroelectric and Negative Capacitance Devices
Kehong Zhang、Kaifu Luo2012-05-11The Journal of Chemical Physics
Using Langevin dynamics simulations, we investigate the dynamics of polymer translocation into a circular nanocontainer through a nanopore under a driving force F. We observe that the translocation probability initially increases and then saturates with increasing F, independent of φ, which is the average density of t…
Carbon Nanotubes in CompositesFuel Cells and Related MaterialsNanopore and Nanochannel Transport Studies
Anıl Kurut、Mikael Lund2012-05-11Faraday Discussions
Oblivious to ion specificity, pH has been a key parameter for macromolecular solutions for little more than a century. We here widen the concept by describing the ionization of macromolecules not only via pH, but also pX where X are other binding species. Using binding constants, measured by NMR, of chloride and thioc…
Protein Structure and DynamicsEnzyme Structure and FunctionSpectroscopy and Quantum Chemical Studies
B.Y.R. Surnam、C.V. Oleti2012-05-11Corrosion Engineering Science and Technology The International Journal of Corrosion Processes and Corrosion Control
Carbon steel is commonly used in Mauritius, and information related to its atmospheric corrosion behaviour in the Mauritian atmosphere is not readily available. Hence, the present study was performed to obtain relevant data and to develop a model for predicting the atmospheric corrosion degradation of carbon steel in…
Corrosion Behavior and InhibitionInfrastructure Maintenance and MonitoringConcrete Corrosion and Durability
Chen Chen、Mingzhu Liu、Shaoyu Lii 等 5 位作者2012-05-11Journal of Biomaterials Science Polymer Edition
Hydrogels based on sodium alginate (SA) have already been widely used in biomedical applications using Ca(2+) as a cross-linker; however, these hydrogels tend to disintegrate in electrolyte solutions. To solve this problem, we present a kind of oxidized sodium alginate (OSA) microgel using water-soluble chitosan (WSC)…
Nanoparticle-Based Drug DeliveryHydrogels: synthesis, properties, applicationsAdvanced Drug Delivery Systems
Chang G. Ji、Xudong Xiao、John Z. H. Zhang2012-05-11Journal of Chemical Theory and Computation
Quantification of backbone hydrogen bond energies in protein folding has remained elusive despite extensive theoretical and experimental investigations over the past 70 years. This is due to difficulties in experimental mutagenesis study as well as the lack of quantitatively reliable methods in theoretical calculation…
Protein Structure and DynamicsMass Spectrometry Techniques and ApplicationsEnzyme Structure and Function
M. Chandra Sekhar、Paturu Kondaiah、S. V. Jagadeesh Chandra 等 5 位作者2012-05-11Surface and Interface Analysis
DC reactive magnetron sputtering technique was employed for deposition of titanium dioxide (TiO 2 ) films. The films were formed on Corning glass and p‐Si (100) substrates by sputtering of titanium target in an oxygen partial pressure of 6×10 −2 Pa and at different substrate temperatures in the range 303 – 673 K. The…
ZnO doping and propertiesSemiconductor materials and devicesSemiconductor materials and interfaces
Se Heang Oh、Tae Ho Kim、So Young Chun 等 5 位作者2012-05-11Journal of Biomaterials Science Polymer Edition
Recently, we developed a novel method for fabricating a guided bone regeneration (GBR) membrane with an asymmetrical pore structure and hydrophilicity by an immersion precipitation method. Results from an animal study, in a cranial defect model in rats, indicated that the unique asymmetrically porous GBR membrane woul…
Bone Tissue Engineering MaterialsElectrospun Nanofibers in Biomedical ApplicationsPeriodontal Regeneration and Treatments
Jesús Galán López、Patricia Verleysen、J. Degrieck2012-05-11Fatigue & Fracture of Engineering Materials & Structures
ABSTRACT The fatigue performance of electro‐discharge machined Ti‐6Al‐4V and, more specifically, the effect of cyclic damage on the static and dynamic tensile properties of the material have been investigated. In a first step, fatigue failure was studied. Afterwards, tensile tests were performed on specimens that had…
Advanced machining processes and optimizationAdvanced Machining and Optimization TechniquesHigh-Velocity Impact and Material Behavior
Mehrdad Hamidi、Amir Azadi、Hajar Ashrafi 等 5 位作者2012-05-11Journal of Applied Polymer Science
Abstract In this study, a 16 runs Taguchi method was applied as an experimental design to establish the optimum conditions for hydrogel nanoparticle preparation. Five relevant factors, chitosan (CS) concentration, pentasodium tripolyphosphate (TPP) concentration, CS‐to‐TPP volume ratio, addition time of the TPP soluti…
Nanocomposite Films for Food PackagingAdvancements in Transdermal Drug DeliveryAdvanced Drug Delivery Systems