The phase diagram of LiF-Li3PO4 system is studied. The eutectic coordinates are 800±5°C, 8±1 mol% Li3PO4. A region of a solid solution based on lithium phosphate with a length of up to 11±2 mol% LiF was discovered. It is assumed that there is heterovalent isomorphism where anionic tetrahedron (PO4)3- is replaced by tetrahedron (LiF4)3-.

A method for controlling the conduction-type in Mg2Si films without doping is investigated. Mg2Si films exhibit p-type conduction after a post-heat treatment up to 500 °C in atmospheric He. However, covering the films with Mg ribbon during a subsequent heat treatment at 500 °C converts the conduction to n-type, demonstrating that the heat treatment atmosphere can control the conduction type. Based on the reported first principles calculations suggesting that interstitial Mg and Mg vacancies in Mg2Si are the origins of n-type and p-type conduction, respectively, the post-heat treatment in He induces Mg vacancies due to the evaporation of Mg from the film, resulting in p-type conduction. The subsequent heat treatment when the film is covered with Mg ribbon fills the Mg vacancies and the additional interstitial Mg is incorporated, resulting in n-type conduction. These observations differ from the reported data for heat treatment of stable n-type conduction in non-doped Mg2Si-sintered bodies and may realize a novel control method for the conduction type in Mg2Si films.

Time correlations of dynamic variables in the reciprocal space offer a rich theoretical setting for computing the phonon dispersion curves, particularly for systems with marked anharmonic interactions. Present techniques primarily rely either on the equipartition of energy between the phonon modes or on the oscillation of the time correlation of the normal mode projections. The former can lead to numerical errors due to deviation from equipartition while the latter usually requires long simulations for computing the time correlations. We investigate a different approach using the ratio of the normal mode expectation value of two conjugate variables – velocity and acceleration. Since only the correlations at the initial time (t=0) are needed, this approach is computationally attractive. In this work, we employ this method to extract the full Brillouin zone phonon dispersion for graphene.

Clinoptilolite modified with polypyrrole and iron oxide nanoparticles (Cln-PPy-Fe3O4) nanocomposite as a potential adsorbent for V (V) ions was prepared via polymerization of pyrrole monomer using FeCl3 oxidant in aqueous medium in which clinoptilolite-Fe3O4 nanoparticles were suspended. The structure and morphology of the prepared adsorbent was analysed with the Fourier transform infrared (FTIR) spectrometer, field-emission scanning electron microscope (FE-SEM), energy dispersive X-ray spectroscopy (EDX) and high-resolution transmission electron microscope (HR-TEM). Column fixed bed studies were performed to test the ability of the adsorbent to remove V (V) ions from aqueous solution. Low values of adsorbent exhaustion rate (AER) and large bed volumes were observed at lower metal ion concentration, higher bed mass and lower flow rate for V(V) removal indicating good performance. The volume of treated water processed at breakthrough point were found to be 0.09; 0.63 and 1.26 L for bed mass of 1, 2.5; and 5 g, respectively. The Yoon–Nelson and Thomas models appropriately described the breakthrough curves.

The graphene quantum dots (GQD) are unique for several different applications especially in the area of sensors as they provide a platform for large surface area on which sensing material can be attached. We wish to report here a new analytical method for sensing ciprofloxacin (CPFX) antibiotic using GQD electrode in differential pulse voltammetry (DPV) which is based on the ferric ion interaction with CPFX. Ferric ion undergoes a well defined one electron reduction at GQD electrode in DPV at Ep=0.310 V vs saturated calomel electrode (SCE) with a peak width of 0.100 V. When nanomolar to micromolar concentrations of CPFX is present in the electrolytic bath, the ferric ion reduction peak decreases with the appearance of three new peaks at EpI=0.200 V, EpII=0.050 V and EpIII= -0.085V. The three peaks are attributed to the three stages of binding of CPFX with three positive charges of ferric ion. The decrease of the ferric ion peak at 0.31 V is proportional to the concentration of CPFX. Due to large surface area of GQD, the CPFX bound ferric ion shows enhanced currents in comparison to glassy carbon electrode. The sensor is fabricated by depositing GQD containing known concentration of ferric ion. The sensor response to different concentrations of CPFX is measured for an analytical purpose.

Mechanical properties similar to natural bone and good biocompatibility make magnesium a great option for its use as biodegradable implant material. The use of castings as fabrication technique brings inherent problems, such as segregation and void formation. Also, the architecture of the specimens created by using these techniques is limited. This study shows the implementation of WAAM for the fabrication of elements made out of AZ91D magnesium alloy (9% aluminium and 1% zinc). The results demonstrate that porosity or cracking only appears at the surface of the individual printed lines, while the central sections presents a void-less structure composed by an HCP magnesium matrix and a high density of well dispersed aluminium-zinc rich precipitates. EDS mapping confirms the presence of orthorhombic Al5Mg11Zn4 phase. Also, the relationship between the heat present in the system and the morphology of the lines is analysed.

In Finland and Sweden the KBS-3 concept has been chosen for the disposal of spent nuclear fuel in crystalline rock. Recent experiments have shown that heterogeneity of rock may play a major role in the transport of radionuclides. Autoradiographic methods have been proven to be able to assist the characterization of heterogeneous structures. In this study we tested a novel filmless autoradiographic device called BeaverTM which applies a micro patterned gaseous detector in order to quantitatively map beta emissions from C-14 atoms. The studied samples were impregnated with C-14-labelled methylmethacrylate (C-14-MMA) and polymerized to C-14-PMMA with thermal initiator. The BeaverTM was then used to determine the spatial distribution of the C-14-PMMA by measuring the C-14 emissions. The porosity is determined from the amount of C-14-PMMA in the rock sample and results were compared to ones from phosphor imaging plate autoradiography. The resulting images show a heterogeneous distribution of porosity which arises from the different minerals. The samples were chosen from three sites that have been used recently for in situ diffusion experiments: Olkiluoto (Finland), Äspö (Sweden) and Grimsel (Switzerland).

Collaborations between community colleges, non-research centered universities and research universities can enrich the flow of students into Science, Technology, Engineering and Mathematics (STEM) majors and careers. The nation is beginning to understand the importance of such interaction especially with under-represented minorities and those with disabilities. For over fifteen years our group has developed new ways to integrate these students and their faculty to the research culture. This will lead to increased diversity and inform research university faculty of the great talent that is latent in these underserved pools.

Composite of PZT (lead zirconate titanate) and PLZT (lead lanthanum zirconate titanate) along an organic, renewable, conductive, and flexible matrix have been developed. The conductive paper was obtained through the reaction between the cellulose extracted from banana stem and functionalized MWCNT. This reaction was made in the presence of hydrogen (from H2SO4), which reduced the size of the cellulose by acid hydrolysis and promotes the interaction between its hydroxyls and the carboxyl groups of nanotubes. Afterward, the PZT particles were synthesized and grown up on the conductive paper by microwaves-assisted hydrothermal synthesis (MHS). The composite material was characterized by structure and morphology. Moreover, gas-sensing in the presence of methanol and electrical resistance as a function of temperature were also investigated. In this way, a simple, low-cost and successful synthesis was reported. Also, a promising flexible was obtained using a chemical transformation process from banana residue as source of cellulose.

In this work, we present the results of investigation of the nanoporous material – carbon fabrics, which is used as electrodes in rechargeable energy storage capacitors (ultracapacitors). The impurity composition in the fabrics, the influence of thermal annealing conditions on the impurity concentration is studied. The performed studies resulted in determination of the investigated carbon material structure, determination of impurity composition of carbon material and change of impurity content depending on thermal treatment in vacuum at different temperatures and time intervals. The optimum temperature range for the treatment of carbon fabrics in vacuum that is important for its application in energy storage devices is found.

Thermal resistance across the interface between touching surfaces is critical for many industrial applications. We developed a network model to predict the macroscopic thermal resistance of mechanically contacting surfaces. Contacting interfaces are fractally rough, with small islands of locally intimate contact separated by regions with a wider gas filled boundary gap. Heat flow across the interface is therefore heterogeneous and thus the contact model is based on a network of thermal resistors representing boundary resistance at local contacts and the access resistance for lateral transport to contacts. Molecular dynamics simulations have been performed to characterize boundary resistance of Silicon Alumina interfaces for testing the sensitivity of thermal resistance to contact opening. Boltzmann transport simulations of access resistance in Si are conducted in the ballistic transport regime.

Nuclear energy is one option to meet rising electricity demands, although one concern of this technology is the proper capture and storage of radioisotopes produced during fission processes. One of the more difficult radioisotopes is 129 I due to its volatility and poor solubility in traditional waste forms such as borosilicate glass. Iodosodalite has been previously proposed as a viable candidate to immobilize iodine due to high iodine loading and good chemical durability. Iodosodalite was traditionally synthesized using solid state and hydrothermal techniques, but this paper discusses an aqueous synthesis approach to optimize and maximize the iodosodalite yield. Products were pressed into pellets and fired with glass binders. Chemical durability and iodine retention results are included.

Overpotential losses on cathode during oxygen reduction reaction (ORR) causes serious performance depletion in microbial fuel cells (MFCs). High cost of existing platinum based noble catalysts is one of the main reason for growing interest in the research of low cost sustainable cathode catalysts to improve ORR in order to enhance power generation from MFCs. The present study demonstrates application of low-cost bimetallic ferrite, Co0.5Zn0.5Fe2O4, as a cathode catalyst in MFC. The electrochemical tests of cathode having this catalyst revealed an excellent cathodic current response of 25.76 mA with less charge transfer resistance of 0.7 mΩ, showing remarkable catalytic activity. The MFC using this catalyst on cathode could generate a power density of 172.1 ± 5.2 mW/m2, which was found to be about 10 times higher than the power density of 15.2 ± 1.3 mW/m2 obtained from a MFC using only acetelyne black (AB) on cathode and noted even higher than the power density produced by MFC with Pt/C cathode (151.3 ± 2.8 mW/m2). In addition, the wastewater treatment in terms of chemical oxygen demand (COD) removal efficiency of MFC with Co0.5Zn0.5Fe2O4 on cathode was found to be better (87 %) among the tested MFCs. Hence, the results obtained from this study illustrates the applicability of Co0.5Zn0.5Fe2O4 as an excellent and suitable cathode catalyst for scaling up of MFCs.

The effect of ions on the structure and dynamics of aggracan solutions was investigated using a variety of scattering techniques (neutron spin echo, small angle neutron scattering, static and dynamic light scattering). The results show that aggrecan forms microgel-like assemblies which remain stable in the presence of counter-ions. As opposed to many synthetic polyelectrolytes which exhibit a great sensitivity to ion concentration and charge valency, it was found that aggrecan solutions are remarkable insensitive to charge valence. This property of aggrecan is consistent with its biological role as an ion reservoir mediating calcium metabolism and maintaining dimensional stability in cartilage and bone.

Increasing the operation voltage of LiCoO2 (LCO) is a direct way to enhance the energy density of the Li-ion batteries. However, at high voltages, the cycling stability degrades very fast due to the irreversible changes in the electrode structure, and formation of an unstable solid electrolyte interface layer. In this work, Ag thin film was prepared on commercial LCO cathode by using magnetron sputtering technique. Ag coated electrode enabled an improved electrochemical performance with a better cycling capability. After 100 cycles, Ag coated LCO delivers a discharge capacity of 106.3 mAh g-1 within 3 - 4.5 V at C/5, which is increased by 45 % compared to that of the uncoated LCO. Coating the electrode surface with Ag thin film also delivered an improved Coulombic efficiency, which is believed to be an indication of suppressed parasitic reactions at the electrode interface. This work may lead to new methods on surface modifications of LCO and other cathode materials to achieve high-capacity Li-ion batteries for high-voltage operations.

MoO2-Fe2O3 nanoparticle system was successfully synthesized by mechanochemical activation of MoO2 and α-Fe2O3 equimolar mixtures for 0-12 hours of ball milling time. The study aims at exploring the formation of magnetic oxide semiconductors at the nanoscale. X-ray powder diffraction (XRD), Mössbauer spectroscopy and magnetic measurements were used to study the phase evolution of MoO2-Fe2O3 nanoparticle system under the mechanochemical activation process. The Mössbauer studies showed that the spectrum of the mechanochemically activated composites evolved from a sextet for hematite to sextet and a doublet upon duration of the milling process with molybdenum dioxide. Recoilless fraction was determined using our dual absorber method and was found to decrease with increasing ball milling time. Magnetic measurements recorded at 5 and 300 K in an applied magnetic field of 50,000 Oe showed the magnetic properties in the antiferromagnetic and canted ferromagnetic states. The Morin transformation was evidenced by zero-field cooling-field cooling (ZFC-FC) measurements in 200 Oe and the transformation characteristic temperatures were shifted to lower values.

The effects of Ag nanoparticles on microorganisms and the antimicrobial mechanism has recently been validated for different microbiological strains, as well as their cytotoxic effect in in vitro cellular models. In this work we report the synthesis of Ag nanoparticles using the extract of Eichhornia crassipes as reducing agent, and evaluated its antimicrobial activity with Escherichia coli. The morphology, size and inhibition properties of the nanoparticles as a function of the reduction time in the chemical synthesis were analyzed. The characterization was carried out by UV-Vis spectrophotometry and transmission electron microscopy. Nanoparticles with average diameters of 40 nm ± 10 nm were obtained and their antimicrobial activity with higher inhibition in Escherichia coli was recorded with the nanoparticle samples obtained at 120 min. These results suggest that Ag nanoparticles can be used as effective growth inhibitors in various microorganisms, making them applicable to various medical devices and antimicrobial control systems by modifying their concentration.

Background: The development of appropriate dosage forms for paediatric antiretroviral therapy is key for improved therapeutic outcomes in children. The focus of this study was to improve solubility, dissolution rate, drug release and maintain high drug permeability.

Methodology: A nanoemulsion was prepared using emulsion inversion point and evaluated. The nanoemulsion had nevirapine (3% w/w). In vitro drug release studies were performed using dialysis membrane. Permeability studies using the Caco-2 cell model were performed for the formulation.

Results: The optimized nevirapine nanoemulsion had a mean droplet size of 36.09±12.27nm, low pdI of 0.598 and zeta potential of -7.87±4.35mV. At pH 2, the nanoemulsion released 76 ± 2 % of nevirapine within 2 h, while at pH 6.4 value representing the small intestine, amount of nevirapine released was 41.6± 4 %. The permeability rate of the nevirapine nanoemulsion was 30.02 x 10-6cm/s and higher than that of propranolol. Efflux ratio was 0.02 indicating low chance of drug efflux occurring.

Conclusion: The results showed that a modified liquid drug release formulations of nevirapine could improve rate of dissolution and maintain high permeability and low drug efflux improving bioavailability of nevirapine in vivo.

We present on the optical and electronic properties of a fungi-derived pigment xylindein for potential use in (opto)electronic applications. Optical absorption spectra in solutions of various concentrations and in film are compared and are consistent with aggregate formation in concentrated solutions and films. In order to improve film morphology obtained by solution deposition techniques, an amorphous polymer PMMA was introduced to xylindein to form xylindein:PMMA blends. Current-voltage characteristics and hole mobilities extracted from space-charge limited currents were found to be comparable between pristine xylindein and xylindein:PMMA films. Side by side comparison of the photoresponse of pristine xylindein and xylindein:PMMA films at 633 nm revealed an increase in the photosensitivity in xylindein:PMMA films due to the improved morphology favouring enhanced charge generation.