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Showing papers in "Journal of Nanoparticle Research in 1999"


Journal ArticleDOI
TL;DR: In this paper, the authors give an overview of the development and implications of nanotechnology in photocatalysis, including the use of nanoparticles in doped, coupled, capped, sensitized and organic-inorganic nanocomposite semiconductor systems, with an effort to enhance photocatalytic and optical properties of commonly used semiconductor materials.
Abstract: The aim of this review paper is to give an overview of the development and implications of nanotechnology in photocatalysis. The topics covered include a detailed look at the unique properties of nanoparticles and their relation to photocatalytic properties. Current applications of and research into the use of nanoparticles as photocatalysts has also been reviewed. Also covered is the utilization of nanoparticles in doped, coupled, capped, sensitized and organic–inorganic nanocomposite semiconductor systems, with an effort to enhance photocatalytic and/or optical properties of commonly used semiconductor materials. The use of nanocrystalline thin films in electrochemically assisted photocatalytic processes has been included. Finally, the use of nanoparticles has made a significant contribution in providing definitive mechanistic information regarding the photocatalytic process.

606 citations


Journal ArticleDOI
TL;DR: In this article, the authors describe the production of size-selected gold aerosol particles in the 20 nm range made by evaporation in a high-temperature tube furnace and subsequent size selection.
Abstract: Gold nanoparticles are of great interest for various nanoelectronic applications, e.g., for making single electron transistors or very fine leads to molecular size entities. For this and other applications, it is important that all particles have controllable size and shape. In this paper, we describe the production of size-selected gold aerosol particles in the 20 nm range made by evaporation in a high-temperature tube furnace and subsequent size selection. To obtain spherical particles, it was necessary to reshape the particles at high temperature, which was investigated for temperatures between 25°C and 1200°C. High-resolution transmission electron microscopy showed that the degree of crystallinity became higher for higher reshaping temperature. During reshaping at high temperature, an anomalous charging behavior was discovered, whereby negatively as well as positively charged particles became multiply negatively charged. Possible mechanisms for explaining this thermally activated phenomenon are discussed.

317 citations


Journal ArticleDOI
TL;DR: In this article, high resolution microscopy has shown that five different types of gold particles are present after reaction with gold(III) ions with alfalfa biomass, these particles include: fcc tetrahedral, hexagonal platelet, icosahedral multiple twins, decahedral multiple twinned, and irregular shaped particles.
Abstract: The use of metal nanoparticles has shown to be very important in recent industrial applications. Currently gold nanoparticles are being produced by physical methods such as evaporation. Biological processes may be an alternative to physical methods for the production of gold nanoparticles. Alfalfa biomass has shown to be effective at passively binding and reducing gold from solutions containing gold(III) ions and resulting in the formation of gold(0) nanoparticles. High resolution microscopy has shown that five different types of gold particles are present after reaction with gold(III) ions with alfalfa biomass. These particles include: fcc tetrahedral, hexagonal platelet, icosahedral multiple twinned, decahedral multiple twinned, and irregular shaped particles. Further analysis on the frequency of distribution has shown that icosahedral and irregular particles are more frequently formed. In addition, the larger particles observed may be formed through the coalescence of smaller particles. Through modification of the chemical parameters, more uniform particle size distribution may be obtained by the alfalfa bio-reduction of gold(III) from solution.

184 citations


Journal ArticleDOI
TL;DR: The Journal of Nanoscale Science, Engineering and Technology (JNR) as discussed by the authors is a journal dedicated to the specific properties, phenomena, and processes that are realized because of the nano size.
Abstract: We would like to welcome you to this new journal (JNR) that has its origin in the significant and growing interest in nanoscale science, engineering and technology. The focus of the journal is on the specific properties, phenomena, and processes that are realized because of the nano size. Experimental and theoretical tools of investigation at nanoscale, as well as synthesis, processing and utilization of particles and related nanostructures are integral parts of this publication. The overall objective is to disseminate knowledge of the physical, chemical and biological phenomena and processes in structures that have at least one length scale ranging from molecular to approximately 100 nm (or submicron in some situations), and exhibit novel properties because of size. The threshold size is a function of the targeted property and system. Research contributions on nanoparticles, clusters, nanotubes, nanocrystals, nanolayers, and macromolecules surrounded either by gases, liquids or solids, are brought together in this single publication. Generation, assembly, transport phenomena, reactivity, and stability of such structures are considered. Realization and application of structures and systems with novel functions obtained via precursor nanoparticles is emphasized. The content of the journal is at the confluence of various scientific and technological areas, including particle technology, colloids, aerosols, multiphase systems, solid state physics, chemistry and macromolecular science, applied mathematics, materials engineering, pharmacy, microcontamination, emission control, environment and health effects, biotechnology and biomedicine, sensors and electronics. The journal will publish original full papers, brief scientific letters to the editor, and communications on novel technologies and applications. The rapid evolution of discoveries in this field will require matching via a short publication cycle, particularly of the letters to the editor and brief technical communications. Nanoparticles are seen either as agents of change of various phenomena and processes, or as building blocks of materials and devices with tailored characteristics. Use of nanoparticles aims to take advantage of properties that are caused by the confinement effects, larger surface area, interactions at length scales where wave phenomena have comparable features to the structural features, and the possibility of generating new atomic and macromolecular structures. Important applications of nanoparticles are in dispersions and coatings, functional nanostructures, consolidated materials, biological systems and environment. Research programs on nanoparticles and nanotechnology around the world suggest different strengths have developed in various countries, a fact that would suggest the need of international collaboration (Siegel et al., 1999; Roco, 1998). This editorial highlights issues in nanoparticle research that are the object of the JNR. The journal was initiated in collaboration with the Nanoparticle Group of the Particle Technology Forum in the US, the Nanoparticle Network in Europe (NANO) and the Society of Cluster Science and Technology in Japan.

173 citations


Journal ArticleDOI
TL;DR: In this article, the structure of poly(amidoamine) PAMAM dendrimers and zerovalent metals, such as gold and silver, has been studied.
Abstract: Structural types of dendrimer nanocomposites have been studied and the respective formation mechanisms have been described, with illustration of nanocomposites formed from poly(amidoamine) PAMAM dendrimers and zerovalent metals, such as gold and silver. Structure of {(Au(0))n−PAMAM} and {(Ag(0))n−PAMAM} gold and silver dendrimer nanocomposites was found to be the function of the dendrimer structure and surface groups as well as the formation mechanism and the chemistry involved. Three different types of single nanocomposite architectures have been identified, such as internal (‘I’), external (‘E’) and mixed (‘M’) type nanocomposites. Both the organic and inorganic phase could form nanosized pseudo-continuous phases while the other components are dispersed at the molecular or atomic level either in the interior or on the surface of the template/container. Single units of these nanocomposites may be used as building blocks in the synthesis of nanostructured materials.

161 citations


Journal ArticleDOI
TL;DR: In this paper, a novel aerosol charger has been developed, which has high efficiency and high throughput especially for nanometer particles in the size range of 3-50 nm.
Abstract: A novel aerosol charger has been developed, which has high efficiency and high throughput especially for nanometer particles in the size range of 3–50 nm. Unipolar charging with high ion concentration and long charging time is used to obtain the high charging efficiency. High throughput is achieved by reducing particle loss within the charger. This is accomplished by directing ion flow and aerosol flow in the same direction and by the use of sheath air flow. The charger configuration is of a longitudinal design – the direction of aerosol stream and ion stream are flowing parallel along the longitudinal axis of the charger. The charger consists of four sections: the inlet zone, the ion production zone, the unipolar charging zone, and the exit zone. In the inlet and ion production zones, unipolar ions are generated using Po210 radioactive sources with an electric field designed to separate the positive and negative ions, and to focus the selected unipolar ions into the core region of the charger. The ions with the selected polarity is then attracted to the charging zone by an uniform electric field created by a series of ring electrodes applied with a linear ramped voltage. Aerosol entering the charger is sheathed with clean gas flow in order to keep the aerosol in the core region. A novel exit design with a reversed electric field is incorporated in order to minimize the charged particles loss. The performance of the charger is first evaluated using computer simulation and then constructed for experimental validation. Experiment data have demonstrated that the charger achieves 90% and 95% charged-particles penetration efficiency and with 22% and 48% extrinsic charging efficiency at 3 and 5 nm particle sizes, respectively. These performance data represent significant improvement, over a factor of 10, compared with the existing chargers.

128 citations


Journal ArticleDOI
TL;DR: In this article, a simulation of titania powder formation by TiCl4 oxidation in an aerosol flow reactor is presented, which shows the onset of the particle formation in the reactor and calculates the dynamic evolution of the aggregate particle size, number of primary particles per aggregate and the specific surface area throughout the reactor.
Abstract: The interaction of fluid mechanics and particle dynamics at the very early stages of flame synthesis largely affects the characteristics of the product powder. Detailed simulations provide a better understanding of these processes, which take place in a few milliseconds, and offer the possibility to influence the product characteristics by intelligent selection of the process parameters. The present paper reports on the simulation of titania powder formation by TiCl4 oxidation in an aerosol flow reactor. A commercially available fluid mechanics code is used for the detailed calculation of the fluid flow and the chemical reaction at non-isothermal conditions. This code is then interfaced with a model for aggregate particle dynamics neglecting the spread of the particle size distribution. The simulation shows the onset of the particle formation in the reactor and calculates the dynamic evolution of the aggregate particle size, number of primary particles per aggregate and the specific surface area throughout the reactor. The presented, newly developed calculation technique allows for the first time the simulation of particle formation processes under the authentic, complex conditions as found in actual aerosol reactors.

82 citations


Journal ArticleDOI
TL;DR: In this paper, the concept of coated nanoparticles as starting material for improved nanocomposites was introduced, which can be achieved by coating each individual particle with a second ceramic or polymer layer.
Abstract: This paper introduces the new concept of coated nanoparticles as starting material for improved nanocomposites. The very special properties of nanomaterials often are properties of isolated particles. After combining nanoparticles to a macroscopic workpiece, usually these special properties are lost. Therefore, to obtain macroscopic parts exhibiting the properties of the isolated particles it is necessary to avoid or at least reduce the interaction of the particles. This can be achieved by coating each individual particle with a second ceramic or polymer layer. This type of materials can be synthesised only by using the microwave plasma process, because in this process the particles leave the plasma zone with electrical charges thwarting agglomeration. Additionally, by proper selection of the coating material it is possible to avoid grain growth during densification of the powder by sintering or hot pressing. As an example of application and as a proof of concept, the properties of macroscopic superparamagnetic parts are explained. Possibly, coated nanoparticles are the only starting material to produce macroscopic parts showing the very special properties of nanomaterials.

73 citations


Journal ArticleDOI
TL;DR: In this paper, a curvature-dependent energy barrier for surface-diffusion is proposed, taking into account the extended surface melting behavior of nanoparticles, which is shown to have the effect of accelerating the coalescence rate of touching nanoparticles.
Abstract: Surprisingly, there is still no rational yet practical method to reliably predict absolute ‘primary’ nanospherule sizes and, hence, specific surface areas, in gas phase flame nanoparticle synthesis. The present paper summarizes our approach to this important problem, using a plausible and tractable coagulation–coalescence (two-rate process) model, but with an important modification to the rate of nanoparticle coalescence. The Smoluchowski equation is used to describe the particle Brownian coagulation rate process (free-molecule regime), together with the assumption that the particle population follows a self-preserving size distribution. The decisive coalescence process, driven by the minimization of surface energy of the coalescing nanoparticles, is presumed to occur via the mechanism of surface diffusion. However, a curvature-dependent energy barrier for surface-diffusion is proposed, taking into account the extended ‘surface-melting’ behavior of nanoparticles. This is shown here to have the effect of accelerating the coalescence rate of touching nanoparticles, leading to absolute sizes (at the predicted onset of aggregate formation) in encouraging agreement with available experiments. It was found that the coalescence rate, especially with a curvature-augmented surface diffusivity, is far more sensitive to particle size than is the Brownian coagulation rate. As a result, when cast in terms of characteristic process times, a distinct crossover generally exists, allowing the determination of observed ‘primary’ spherule sizes within larger aggregates. This approach is successfully applied here to several published synthesis examples of vapor-derived nanosized alumina and titania. Its broader implications for nanoparticle synthesis in non-isothermal reactors, including our own counterflow diffusion flame reactor, are also briefly summarized.

71 citations


Journal ArticleDOI
TL;DR: This study proposes to measure the density of the nanoparticle drug carriers by isopycnic centrifugation using linear sucrose gradients and it was found to be very reproducible and it presents the advantage of being applied on a small sample of nanoparticles.
Abstract: The development of polymer nanoparticles as drug carriers requires numerous steps including several in vitro evaluations in cell cultures and biocompatibility. To perform these experiments, it is crucial to express the particle concentration as the number of particles per volume unit or as the particle surface area. Calculation of these suspension characteristics can be perfomed knowing the size and the density of the nanoparticles as well as the polymer concentration. While particle size and polymer concentration are parameters being determined routinely, this study proposes to measure the density of the nanoparticle drug carriers by isopycnic centrifugation using linear sucrose gradients. The method was found to be very reproducible and it presents the advantage of being applied on a small sample of nanoparticles.

69 citations


Journal ArticleDOI
TL;DR: In this paper, the authors presented the synthesis of magnetite nanoparticles by precipitation with forced mixing, which was easy to obtain a high product saturation degree and the constant pH value of the reaction system.
Abstract: Synthesis of magnetite nanoparticles by precipitation with forced mixing is presented. Using this method it is easy to obtain a high product saturation degree and the constant pH value of the reaction system. The TEM and XRD measurments show that the average size of the product magnetite particles is less than 6.0-nm in the condition of [Fe2+]/[Fe3+]=0.5. The magnetic properties of the samples are discussed.

Journal ArticleDOI
TL;DR: In this paper, the aqueous cores of water-in-oil microemulsions were used as constrained microreactors for the precipitation of precursor carbonate and hydroxide particles.
Abstract: Magnetic nanoparticles of barium ferrite (BaFe12O19) have been synthesized using a microemulsion mediated process. The aqueous cores of water-in-oil microemulsions were used as constrained microreactors for the precipitation of precursor carbonate and hydroxide particles. These precursors were then calcined at 925°C for 12 h, during which time they were transformed to the hexagonal ferrite. The pH of reaction was varied between 5 and 12, and it was found that the fraction of non-magnetic hematite (α-Fe2O3) in the particles varied with the pH of reaction, thus affecting the magnetic properties of the particles. The same precursor particles were also prepared by bulk co-precipitation reaction for comparison. It was found that the microemulsion derived nanoparticles of barium ferrite had both higher intrinsic coercivity (Hc) and saturation magnetization (σs) than the particles derived from bulk co-precipitation. Particles were analyzed by electron microscopy, X-ray diffraction, differential thermal analysis (DTA), thermogravimetric analysis (TGA) and vibrating sample magnetometry (VSM). The best barium ferrite particles produced by the microemulsion synthesis method yielded an intrinsic coercivity of 4310 Oe and a saturation magnetization of 60.48 emu/g.

Journal ArticleDOI
TL;DR: In this paper, the authors used CO2-laser-induced decomposition of different mixtures of SiH4 and C2H2 in a flow reactor to produce silicon carbide clusters and nanoparticles with varying content of carbon.
Abstract: Pulsed CO2-laser-induced decomposition of different mixtures of SiH4 and C2H2 in a flow reactor has been employed to produce silicon carbide clusters and nanoparticles with varying content of carbon. The as-synthesized species were extracted from the reaction zone by a conical nozzle and expanded into the source chamber of a cluster beam apparatus where, after having traversed a differential chamber, they were analyzed with a time-of-flight mass spectrometer. Thin films of silicon carbide nanoclusters were produced by depositing the clusters at low energy on potassium bromide and sapphire windows mounted into the differential chamber. At the same time, Si and SiC nanoparticles were collected in a filter placed into the exhaust line of the flow reactor. Both beam and powder samples were characterized by FTIR spectroscopy. The close resemblance of the spectra suggests that the composition of the beam and powder particles obtained during the same run is nearly identical. XRD spectroscopy could only be employed for the investigation of the powders. It was found that CO2 laser pyrolysis is ideally suited to produce silicon carbide nanoparticles with a high degree of crystallinity. Nanopowders produced from the pyrolysis of a stoichiometric (2:1) mixture of SiH4/C2H2 were found to contain particles or domains of pure silicon. The characteristic silicon features in the FTIR and XRD spectra, however, disappeared when C2H2 was applied in excess.

Journal ArticleDOI
TL;DR: In this article, the preparation of palladium nanoparticles in non-ionic w/o-micro-emulsions is examined, and a quantitative kinetic model is proposed to describe particle formation.
Abstract: Engineering aspects of the preparation of palladium nanoparticles in non-ionic w/o-microemulsions are examined. In order to achieve reproducible synthesis conditions a semi-batch reactor with a standardized design is used. Influences of the stirring rate and of different ways of concentration control on the product properties are observed. For reproducible synthesis it is important to establish appropriate and defined preparation conditions. Monodisperse palladium particles of around 5 nm size are obtained by adding the microemulsion containing the palladium salt at a constant feed rate to the precharged microemulsion containing the reducing agent. A quantitative kinetic model is proposed to describe particle formation in microemulsions. Unknown parameters of the model have been estimated by independent examinations or can be achieved by fitting to the experimental data.

Journal ArticleDOI
TL;DR: In this paper, a harmonically driven oscillating tweezer is combined with the forward light scattering and lock-in amplification techniques, for probing the mechanics of nanostructures in soft materials in a broad frequency range.
Abstract: We report a new application of the optical tweezers, where a harmonically driven oscillating tweezer is combined with the forward light scattering and lock-in amplification techniques, for probing the mechanics of nanostructures in soft materials in a broad frequency range. Model independent dynamic moduli G′ and G″ of the material at a localized, sub-micron area can be measured directly from the displacement and the phase shift of the particle in the oscillating trap. The probe particles can be as small as 200 nm and the displacement of the particle was in the range of a few nanometers. To illustrate the new methodology, we show the microscopic viscoelastic properties of a transient polymer network in the vicinity of a silica bead.

Journal ArticleDOI
TL;DR: In this paper, the authors reviewed the processes that lead to NCA formation and control the strength of interparticle bonds and briefly reviewed the properties of NCA elasticity, including the van der Waals forces between segments of the chain.
Abstract: Studies of the behavior of nanoparticle chain aggregates (NCA) have shown properties similar to those of molecular polymers. Like polymer chains, NCA tend to gather up and become more compact when heated. Under tensile stress, folded chain segments pull out and the NCA elongates. When the tension is relaxed, the chains contract. The stretching of NCA may contribute to the ductility of compacts made from nanoparticles, a subject of current research interest. In a well established technological application, carbon black and pyrogenic silica NCA produce remarkable increases in elastic modulus and tensile strength when added to commercial rubber. This may be due to the mechanical interaction between the polymer chains and NCA. However, basic mechanisms of NCA elasticity differ from those of molecular polymers. The alignment of chain segments when the NCA are subjected to tension probably results from rotation and translation at grain boundaries between neighboring nanocrystals. The elastic properties depend on the van der Waals forces between segments of the chain that fold to minimize surface free energy. Under tension, these segments pull out, but tend to reform when the tension is relaxed. The processes that lead to NCA formation and control the strength of interparticle bonds are briefly reviewed.


Journal ArticleDOI
TL;DR: In this article, a scaling approach for understanding the broad, general features of scattering of waves from nanoscale systems is presented based on comparing q−1, where q is the magnitude of the scattering wave vector, to the various length scales of the system of scatterers to determine whether the waves are scattered in phase or not.
Abstract: A scaling approach for understanding the broad, general features of scattering of waves from nanoscale systems is presented. The approach uses the concept of a system of scatterers with arbitrary length scales, mass and surface fractal dimensions, and correlations between scatterers. It is based on comparing q−1, where q is the magnitude of the scattering wave vector, to the various length scales of the system of scatterers to determine whether the waves are scattered in phase or not. This comparison along with the fact that only fluctuations in the density of the scatterers scatter waves, yields power laws and cross over points which make up the structure factor. The system of scatterers can represent single spheres, fractal aggregates, or ensembles of such entities in a scattering volume. Hence a large range of experimental situations can be described and are unified under this comprehensive description.

Journal ArticleDOI
TL;DR: In this paper, the authors used transmission electron microscopy to analyze the time-dependent change of the dispersion of particles on a thin film and found evidence of migration of 2-nm particles at 500°C.
Abstract: Nanoparticles formed during the initial period of film growth can migrate, coalesce, and may also melt. Nanoparticles of Au, Ag, Cu, and GaAs ranging from 1 to 15 nm in diameter were sputter-deposited on amorphous SiO2 (a-SiO2). Transmission electron microscopy was used to analyze the time-dependent change of the dispersion of particles on a thin film. The number density of nanoparticles was nearly constant during the deposition of Ag. For Au, Cu, and GaAs, however, the number density decreased with time during the early deposition period. For example, for Au the number density decreased from 2.8×1016m−2 (surface coverage ratio of 0.08) to 1.8×1016m−2 (surface coverage ratio of 0.14). The surface coverage increased because the particle size increased as the number density decreased. This decrease suggests that migration followed by coalescence occurred. For Au, although we found evidence of migration of 2-nm particles at 500°C, the migration rate was too slow to account for the results from the deposition experiments. These observations indicate an autocatalytic mechanism that migration followed by coalescence liberates energy by the formation of chemical bonds, heats the coalesced particles, and enhances further migration. The strong dependence of the structure of nanoparticle dispersions on the deposition rate is a direct consequence of the deposition mechanism, which is a nonlinear, kinetically-controlled process.

Journal ArticleDOI
TL;DR: In this article, the synthesis of nanophase silica (SiO2) from hexamethyldisiloxane (HMDS) oxidation in a co-flow diffusion flame reactor at atmospheric pressure is investigated focusing on high production rates of powder.
Abstract: Synthesis of nanophase silica (SiO2) from hexamethyldisiloxane (HMDS) oxidation in a co-flow diffusion flame reactor at atmospheric pressure is investigated focusing on high production rates of powder. A new experimental set-up is introduced, including a diffusion burner which is operated with a ring-shape double diffusion flame. Significantly high HMDS concentrations are used resulting in SiO2 production rates of up to 130 g/h. Deposition of silica powder on the burner face is eliminated by the design of a special diffusion burner and higher collection rates are achieved using a baghouse filter. The specific surface area and the product powder composition are analyzed. Carbon black coated silica particles were produced at high production rates (130 g/h) at low oxygen flow rates or using a mixture of nitrogen and oxygen as oxidant. The size of the product particles was controlled in the range of 15–170 nm.

Journal ArticleDOI
TL;DR: In this article, the surface area of a single nickel nanoparticles produced by spark discharges was determined using different methods, and it was found that surface area available for nitrogen adsorption and therefore for the methanation reaction remained virtually constant during restructuring of the agglomerates while the surface surface area based on the mobility was significantly reduced.
Abstract: Nickel nanoparticles produced by spark discharges were used as aerosol catalyst for the formation of methane. The available surface area of the particles was determined using different methods. It was found that the surface area available for nitrogen adsorption and, therefore, for the methanation reaction remained virtually constant during restructuring of the agglomerates while the surface area based on the mobility was significantly reduced. In general, the reaction parameters such as activation energy and reaction rates agree well with the values for single nickel crystals and foils. At temperatures above 350°C the activation energy and the photoelectric activity of the particles decrease indicating the formation of graphite on the particle surface. Also the change of the work function points to the build up of multiple layers of graphite on the particle surface. The surprisingly low temperature for the surface deactivation may indicate an enhanced formation of carbon atoms at the surface.

Journal ArticleDOI
TL;DR: The emulsion combustion method (ECM) was originally developed to synthesize nano-structured metal-oxide powders as discussed by the authors, which achieved a small reaction field and a short reaction period to fabricate the submicron-sized hollow ceramic particles with extremely thin wall and chemically homogeneous ceramic powder.
Abstract: The emulsion combustion method (ECM), a novel powder production process, was originally developed to synthesize nano-structured metal-oxide powders. Metal ions in the aqueous droplets were rapidly oxidized by the combustion of the surrounding flammable liquid. The ECM achieved a small reaction field and a short reaction period to fabricate the submicron-sized hollow ceramic particles with extremely thin wall and chemically homogeneous ceramic powder. Alumina, zirconia, zirconia–ceria solid solutions and barium titanate were synthesized by the ECM process. Alumina and zirconia powders were characterized to be metastable in crystalline phase and hollow structure. The wall thickness of alumina was about 10 nm. The zirconia–ceria powders were found to be single-phase solid solutions for a wide composition range. These powders were characterized as equiaxed-shape, submicron-sized chemically homogeneous materials. The powder formation mechanism was investigated through the synthesis of barium titanate powder with different metal sources.

Journal ArticleDOI
TL;DR: In this paper, the results of molecular dynamics simulations on nanoscale assemblies of such materials as carbon nanotubes, diamond surfaces, metal alloy nanowires, and ceramics are presented.
Abstract: In order to illustrate how atomistic modeling is being used to determine the structure, physical, and chemical properties of materials at the nanoscale, we present here the results of molecular dynamics (MD) simulations on nanoscale assemblies of such materials as carbon nanotubes, diamond surfaces, metal alloy nanowires, and ceramics. We also include here the results of nonequilibrium MD simulations on the nanorheology of a monolayer of wear inhibitor self-assembled on two metal oxide surfaces, separated by hexadecane lubricant, and subjected to steady state shear. We also present recent developments in force fields (FF) required to describe bond breaking and phase transformations in such systems. We apply these to study of plasticity in metal alloy nanowires where we find that depending on the strain rate, the wire may deform plastically (forming twins), neck and fracture, or transition to the amorphous phase.


Journal ArticleDOI
TL;DR: In this paper, a surface sol-gel deposition technique was used to grow thin films of mixed composition with angstrom-level control of thickness, and the thickness increases per adsorption/hydrolysis cycle were 4.5, 2.1 and 2.5 A, respectively.
Abstract: TiO2, Ta2O5, and mixed TiO2/Ta2O5 ultrathin films were grown layer-by-layer using a surface sol–gel deposition technique. The technique allows one to prepare smooth films of mixed composition with angstrom-level control of thickness. The thickness increases per adsorption/hydrolysis cycle were 4.5, 2.1, and 2.5 A, respectively, for TiO2, Ta2O5, and mixed TiO2/Ta2O5 (1.6sol;1) films. By combining X-ray diffraction and ellipsometric analysis, it was determined that the as-deposited TiO2 films are less dense than bulk TiO2, and do not adhere persistently to Si/SiO2 or Au/2-mercaptoethanol substrates. These ‘green’ films were annealed at 400°C to produce denser and highly adherent films. Patterning the surface by microcontact printing of siloxane polymer thin films allows one to prepare patterned sol–gel oxide thin films.

Journal ArticleDOI
TL;DR: In this article, an attempt has been made to calculate the aggregate number density and volume fraction using the measurements of scattering cross section from 90° light scattering with combination of measuring the particle size and morphology from the localized sampling and a TEM image analysis.
Abstract: The evolution of silica aggregate particles in a coflow diffusion flame has been studied experimentally using light scattering and thermophoretic sampling techniques. An attempt has been made to calculate the aggregate number density and volume fraction using the measurements of scattering cross section from 90° light scattering with combination of measuring the particle size and morphology from the localized sampling and a TEM image analysis. Aggregate or particle number densities and volume fractions were calculated using Rayleigh–Debye–Gans and Mie theory for fractal aggregates and spherical particles, respectively. Using this technique, the effects of H2 flow rates on the evolution of silica aggregate particles have been studied in a coflow diffusion flame burner. As the flow rate of H2 increases, the primary particle diameters of silica aggregates have been first decreased, but, further increase of H2 flow rate causes the diameter of primary particles to increase and for sufficiently larger flow rates, the fractal aggregates finally become spherical particles. For the cases of high flame temperatures, the particle sizes become larger and the number densities decrease by coagulation as the particles move up within the flame. For cases of low flame temperatures, the primary particle diameters of aggregates vary a little following the centerline of burner and for the case of the lowest flame temperature in the present experiments, the sizes of primary particles even decrease as particles move upward.


Journal ArticleDOI
TL;DR: In this paper, a model was developed to calculate the long range van der Waals and electrostatic energies between a rough colloidal particle and a smooth solid plate in aqueous solutions.
Abstract: A model was developed to calculate the long range van der Waals and electrostatic energies between a rough colloidal particle and a smooth solid plate in aqueous solutions. The particle roughness was modeled as hemispherical asperities distributed uniformly over the surface. Because of the assumption of additive potentials used in calculating the electrostatic force, the model is most accurate when the particle/plate separation is larger than several Debye screening lengths, such as near the location of the secondary minimum. The model predicts that such roughness reduces the depth of the secondary minimum and pushes it to larger separation distances. The model also predicts that the height of the primary energy barrier, which controls the dispersion stability, is substantially lowered by the asperities.

Journal ArticleDOI
TL;DR: In this paper, a new generation avalanche photo diode (APD) was proposed for the measurement of small, weakly scattering particles without the need for a powerful laser, and data were presented for a variety of sample types.
Abstract: In many areas of particle research there is a growing requirement to measure small particles, dilute systems and poorly scattering materials. The laser based technique of photon correlation spectroscopy (PCS) is used to measure nanometer sized particles, but very high count rates are required to obtain repeatable sizing measurements with small, weakly scattering particles. Traditionally this has been achieved using high powered lasers. These have the disadvantage of themselves producing changes in the sample and being costly. This paper reports on the development of a new generation avalanche photo diode (APD) which enables the measurement of small, weakly scattering particles without the need for a powerful laser. Data are presented for a variety of sample types.

Journal ArticleDOI
TL;DR: The use of cytochalasin B, an inhibitor of cell movements, showed that phagocytosis was an important mechanism as far as NC and the emulsion were concerned, and when the cells were separated from particles containing the immunomodulator by a membrane of 100 nm pore size, significant activity could be obtained, provided that serum was included in the medium.
Abstract: Different colloidal formulations: nanocapsules (NC), emulsion and micelles, containing the lipophilic immunomodulator muramyltripeptide cholesterol (MTP-Chol) induce nitric oxide synthase activity in the RAW 264.7 cell line. The use of cytochalasin B, an inhibitor of cell movements, showed that phagocytosis was an important mechanism as far as NC and the emulsion were concerned. However, when the cells were separated from particles containing the immunomodulator by a membrane of 100 nm pore size, significant activity could still be obtained, provided that serum was included in the medium. To determine whether low-density lipoprotein (LDL) might act as an intermediate carrier for MTP-Chol, the transfer of the immunomodulator from NC to LDL was studied by an ultrafiltration/centrifugation method followed by HPLC analysis. Although MTP-Chol could be transferred to LDL, when purified human LDL was added to serum-free medium, activation by MTP-Chol NC was reduced, rather than increased. This suggests that intact LDL carrying MTP-Chol is not taken up to a great extent by these macrophages.