New particle formation at the coastal Antarctic site Neumayer in 2012 and 2014

We measured condensation particle (CP) concentrations and particle size distributions at the coastal Antarctic station Neumayer (70°39'S, 8°15'W) during two summer campaigns (from 20 January to 26 March 2012 and 1 February to 30 April 2014) and during polar night between 12 August and 27 September 2014 in the particle diameter (Dp) range from 2.94 nm to 60.4 nm (2012) and from 6.26 nm to 212.9 nm (2014). During both summer campaigns we identified all in all 44 new particle formation (NPF) events. From 10 NPF events, particle growth rates could be determined to be around 0.90±0.46 nm/h (mean ± std; range: 0.4 nm/h to 1.9 nm/h). With the exception of one case, particle growth was generally restricted to the nucleation mode (Dp < 25 nm) and the duration of NPF events was typically around 6.0±1.5 h (mean ± std; range: 4 h to 9 h). Thus in the main, particles did not grow up to sizes required for acting as cloud condensation nuclei. NPF during summer usually occurred in the afternoon in coherence with local photochemistry. During winter, two NPF events could be detected, though showing no ascertainable particle growth. A simple estimation indicated that apart from sulfuric acid, the derived growth rates required other low volatile precursor vapours.

The evolution of high-temperature mylonitic microfabrics: evidence from simple shearing of a quartz analogue (norcamphor)

Plane strain simple shearing of norcamphor (C7H10O) in a see-through deformation rig to a shear strain of γ = 10.5 at a homologous temperature of Th = 0.81 yields a microfabric similar to that of quartz in amphibolite facies mylonite. Synkinematic analysis of the norcamphor microfabric reveals that the development of a steady-state texture is linked to changes in the relative activities of several grain-scale mechanisms. Three stages of textural and microstructural evolution are distinguished: (1) rotation and shearing of the intracrystalline glide planes are accommodated by localized deformation along three sets of anastomozing microshears. A symmetrical c-axis girdle reflects localized pure shear extension along the main microshear set (Sa) oblique to the bulk shear zone boundary (abbreviated as SZB); (2) progressive rotation of the microshears into parallelism with the SZB increases the component of simple shear on the Sa microshears. Grain-boundary migration recrystallization favours the survival of grains with slip systems oriented for easy glide. This is associated with a textural transition towards two stable c-axis point maxima whose skeletal outline is oblique with respect to the Sa microshears and the SZB; and (3) at high shear strains (γ > 8), the microstructure, texture and mechanism assemblage are strain invariant, but strain continues to partition into rotating sets of microshears. Steady state is therefore a dynamic, heterogeneous condition involving the cyclic nucleation, growth and consumption of grains.

The Effect of Sequence of Operations on Fatigue Life of LSP Treated Open-hole Aluminium Specimens

Fastener holes in aeronautical structures are typical sources of fatigue cracks due to their induced local stress concentration. A very efficient solution to this problem is to establish compressive residual stresses around the fastener holes that retard the fatigue crack nucleation and its subsequent local propagation. Previous work done on the subject of the application of LSP treatment on thin, open-hole specimens [1] has proven that the LSP effect on fatigue life of treated specimens can be detrimental, if the process is not properly optimized. In fact, it was shown that the capability of the LSP to introduce compressive residual stresses around fastener holes in thin-walled structures representative of typical aircraft constructions was not superior to the performance of conventional techniques, such as cold-working.

Si(100) versus Ge(100): Watching the interface formation for the growth of III-V-based solar cells on abundant substrates

We investigated the atomic surface properties of differently prepared silicon and germanium (100) surfaces during metal-organic vapour phase epitaxy/chemical vapour deposition (MOVPE/MOCVD), in particular the impact of the MOVPE ambient, and applied reflectance anisotropy/difference spectroscopy (RAS/RDS) in our MOVPE reactor to in-situ watch and control the preparation on the atomic length scale for subsequent III-V-nucleation. The technological interest in the predominant opto-electronic properties of III-V-compounds drives the research for their heteroepitaxial integration on more abundant and cheaper standard substrates such as Si(100) or Ge(100). In these cases, a general task must be accomplished successfully, i.e. the growth of polar materials on non-polar substrates and, beyond that, very specific variations such as the individual interface formation and the atomic step structure, have to be controlled. Above all, the method of choice to grow industrial relevant high-performance device structures is MOVPE, not normally compatible with surface and interface sensitive characterization tools, which are commonly based on ultrahigh vacuum (UHV) ambients. A dedicated sample transfer system from MOVPE environment to UHV enabled us to benchmark the optical in-situ spectra with results from various surfaces science instruments without considering disruptive contaminants. X-ray photoelectron spectroscopy (XPS) provided direct observation of different terminations such as arsenic and phosphorous and verified oxide removal under various specific process parameters. Absorption lines in Fourier-transform infrared (FTIR) spectra were used to identify specific stretch modes of coupled hydrides and the polarization dependence of the anti-symmetric stretch modes distinguished different dimer orientations. Scanning tunnelling microscopy (STM) studied the atomic arrangement of dimers and steps and tip-induced H-desorption proved the saturation of dangling bonds after preparati- n. In-situ RAS was employed to display details transiently such as the presence of H on the surface at lower temperatures (T <; 800°C) and the absence of Si-H bonds at elevated annealing temperature and also surface terminations. Ge buffer growth by the use of GeH4 enables the preparation of smooth surfaces and leads to a more pronounced amplitude of the features in the spectra which indicates improvements of the surface quality.

Monte Carlo simulation of recrystallization

A Monte Carlo computer simulation technique, in which a continuum system is modeled employing a discrete lattice, has been applied to the problem of recrystallization. Primary recrystallization is modeled under conditions where the degree of stored energy is varied and nucleation occurs homogeneously (without regard for position in the microstructure). The nucleation rate is chosen as site saturated. Temporal evolution of the simulated microstructures is analyzed to provide the time dependence of the recrystallized volume fraction and grain sizes. The recrystallized volume fraction shows sigmoidal variations with time. The data are approximately fit by the Johnson-Mehl-Avrami equation with the expected exponents, however significant deviations are observed for both small and large recrystallized volume fractions. Under constant rate nucleation conditions, the propensity for irregular grain shapes is decreased and the density of two sided grains increases.

New inorganic nanotube polymer nanocomposites: Improved thermal, mechanical and tribological properties in isotactic polypropylene incorporating INT-MoS2.

Environmentally friendly molybdenum disulfide (INT-MoS2) inorganic nanotubes were introduced into an isotactic polypropylene (iPP) polymer matrix to generate novel nanocomposite materials through an advantageous melt-processing route. The effects of INT-MoS2 content on the thermal, mechanical and tribological properties were investigated. The incorporation of INT-MoS2 generates notable performance enhancements through reinforcement effects, highly efficient nucleation activity and excellent lubricating ability in comparison with other nanoparticle fillers such as nanoclays, carbon nanotubes, silicon nitrides and halloysite nanotubes. It was shown that these INT-MoS2 nanocomposites can provide an effective balance between performance, cost effectiveness and processability, and should be of some interest in the area of multifunctional polymer nanocomposite materials.

Low-thickness high-quality aluminum nitride films for super high frequency solidly mounted resonators

We investigate the sputter growth of very thin aluminum nitride (AlN) films on iridium electrodes for electroacoustic devices operating in the super high frequency range. Superior crystal quality and low stress films with thicknesses as low as 160 nm are achieved after a radio frequency plasma treatment of the iridium electrode followed by a two-step alternating current reactive magnetron sputtering of an aluminum target, which promotes better conditions for the nucleation of well textured AlN films in the very first stages of growth. Solidly mounted resonators tuned around 8 GHz with effective electromechanical coupling factors of 5.8% and quality factors Q up to 900 are achieved.

Critical Role of Two-Dimensional Island-Mediated Growth on the Formation of Semiconductor Heterointerfaces

We experimentally demonstrate a sigmoidal variation of the composition profile across semiconductor heterointerfaces. The wide range of material systems (III-arsenides, III-antimonides, III-V quaternary compounds, III-nitrides) exhibiting such a profile suggests a universal behavior. We show that sigmoidal profiles emerge from a simple model of cooperative growth mediated by twodimensional island formation, wherein cooperative effects are described by a specific functional dependence of the sticking coefficient on the surface coverage. Experimental results confirm that, except in the very early stages, island growth prevails over nucleation as the mechanism governing the interface development and ultimately determines the sigmoidal shape of the chemical profile in these two-dimensional grown layers. In agreement with our experimental findings, the model also predicts a minimum value of the interfacial width, with the minimum attainable value depending on the chemical identity of the species.

In situ study of Ge(100) surfaces with tertiarybutylphosphine supply in vapor phase epitaxy ambient

GaInP nucleation on Ge(100) often starts by annealing of the Ge(100) substrates under supply of phosphorus precursors. However, the influence on the Ge surface is not well understood. Here, we studied vicinal Ge(100) surfaces annealed under tertiarybutylphosphine (TBP) supply in MOVPE by in situ reflection anisotropy spectroscopy (RAS), X-ray photoelectron spectroscopy (XPS), and low energy electron diffraction (LEED). While XPS reveals a P termination and the presence of carbon on the Ge surface, LEED patterns indicate a disordered surface probably due to by-products of the TBP pyrolysis. However, the TBP annealed Ge(100) surface exhibits a characteristic RA spectrum, which is related to the P termination. RAS allows us to in situ control phosphorus desorption dependent on temperature.

Simulación del proceso de rotura por tracción de alambres de acero perlítico con un modelo de fisura cohesiva

La fractura de metales dúctiles como el acero suele explicarse a partir de la hipótesis de nucleación, crecimiento y coalescencia de microhuecos. A partir de esta teoría, se han desarrollado diversos modelos numéricos, entre los que el modelo de Gurson y sus variantes son los más extendidos. Dichos modelos reproducen matemáticamente el fenómeno físico de crecimiento de huecos resultando en un desarrollo progresivo del daño en el interior del material durante un ensayo de tracción. En estos modelos, el daño comienza a desarrollarse en fases muy tempranas del ensayo, incluso anteriores a la carga máxima. Ensayos realizados por los autores parecen indicar, sin embargo, que en el caso de barras de acero eutéctico empleado en la fabricación de alambres de pretensado, el daño originado en el interior del material como consecuencia del crecimiento de microhuecos sólo es apreciable en un estado muy avanzado del ensayo, momentos antes de producirse la rotura. Además, desde hace décadas se conoce que la triaxialidad de tensiones tiene una fuerte influencia sobre la rotura de los materiales. En este trabajo se presenta un modelo de rotura para elementos de acero sometidos a tracción, basado en un comportamiento cohesivo del material y que contempla el valor de la triaxialidad de tensiones, diferente en cada punto de la sección crítica de rotura. The fracture of ductile materials, such as steel, is usually explained with the theory of nucleation, growth and coalescence of microvoids. Based on this theory, many numerical models have been developed, with a special mention to Gurson-type models. These models simulate mathematically the physical growth of microvoids, leading to a progressive development of the internal damage that takes place during a tensile test. In these models, the damage starts to develop in very early stages of the test. Tests carried out by the authors seem to point out that, in the case of eutectoid steel bars used for manufacturing prestressing steel wires, the internal damage that takes place as a result of the growth of microvoids is only noticeable in a very advanced state of the test. In addition to this, it is known that the stress triaxiality has a strong influence over the fracture of ductile materials. This work presents a fracture model for steel specimens in a tensile test, based on a cohesive behaviour and taking into account the effect of stress triaxiality, which is different in every point of the fracture plane.

Optimization of the silicon subcell for III-V on silicon multijunction solar cells: key differences with conventional silicon technology

Dual-junction solar cells formed by a GaAsP or GaInP top cell and a silicon (Si) bottom cell seem to be attractive candidates to materialize the long sought-for integration of III-V materials on Si for photovoltaic (PV) applications. Such integration would offer a cost breakthrough for PV technology, unifying the low cost of Si and the efficiency potential of III-V multijunction solar cells. The optimization of the Si solar cells properties in flat-plate PV technology is well-known; nevertheless, it has been proven that the behavior of Si substrates is different when processed in an MOVPE reactor In this study, we analyze several factors influencing the bottom subcell performance, namely, 1) the emitter formation as a result of phosphorus diffusion; 2) the passivation quality provided by the GaP nucleation layer; and 3) the process impact on the bottom subcell PV properties.

A fracture model for pearlitic steel bars using a cohesive model

The fracture of ductile materials, such as metals, is usually explained with the theory of nucleation, growth and coalescence of microvoids. Based on this theory, many numerical models have been developed, with a special mention to Gurson-type models. These models simulate mathematically the physical growth of microvoids, leading to a progressive development of the internal damage that takes place during a tensile test. In these models, the damage starts to develop in very early stages of the test. Tests carried out by the authors suggest that, in the case of some eutectoid steels such as those used for manufacturing prestressing steel wires, the internal damage that takes place as a result of the growth of microvoids is only noticeable in very late stages of the tensile test. In the authors’ opinion, using a cohesive model as a failure criterion may be interesting in this case; a cohesive model only requires two parameters to be defined, with the fracture energy being one of them, which can be obtained experimentally. In addition to this, given that it is known that the stress triaxiality has a strong influence on the fracture of ductile materials, a cohesive model whose parameters are affected by the value of the stress triaxiality can be considered. This work presents a fracture model for steel specimens in a tensile test, based on a cohesive behaviour and taking into account the effect of stress triaxiality, which is different at each point of the fracture plane.

Simulación del proceso de rotura por tracción de alambres de acero perlítico con un modelo de fisura cohesiva

La fractura de metales dúctiles como el acero suele explicarse a partir de la hipótesis de nucleación, crecimiento y coalescencia de microhuecos. A partir de esta teoría, se han desarrollado diversos modelos numéricos, entre los que el modelo de Gurson y sus variantes son los más extendidos. Dichos modelos reproducen matemáticamente el fenómeno físico de crecimiento de huecos resultando en un desarrollo progresivo del daño en el interior del material durante un ensayo de tracción. En estos modelos, el daño comienza a desarrollarse en fases muy tempranas del ensayo, incluso anteriores a la carga máxima. Ensayos realizados por los autores parecen indicar, sin embargo, que en el caso de barras de acero eutéctico empleado en la fabricación de alambres de pretensado, el daño originado en el interior del material como consecuencia del crecimiento de microhuecos sólo es apreciable en un estado muy avanzado del ensayo, momentos antes de producirse la rotura. Además, desde hace décadas se conoce que la triaxialidad de tensiones tiene una fuerte influencia sobre la rotura de los materiales. En este trabajo se presenta un modelo de rotura para elementos de acero sometidos a tracción, basado en un comportamiento cohesivo del material y que contempla el valor de la triaxialidad de tensiones, diferente en cada punto de la sección crítica de rotura. The fracture of ductile materials, such as steel, is usually explained with the theory of nucleation, growth and coalescence of microvoids. Based on this theory, many numerical models have been developed, with a special mention to Gurson-type models. These models simulate mathematically the physical growth of microvoids, leading to a progressive development of the internal damage that takes place during a tensile test. In these models, the damage starts to develop in very early stages of the test. Tests carried out by the authors seem to point out that, in the case of eutectoid steel bars used for manufacturing prestressing steel wires, the internal damage that takes place as a result of the growth of microvoids is only noticeable in a very advanced state of the test. In addition to this, it is known that the stress triaxiality has a strong influence over the fracture of ductile materials. This work presents a fracture model for steel specimens in a tensile test, based on a cohesive behaviour and taking into account the effect of stress triaxiality, which is different in every point of the fracture plane.

A theoretical study on the formation of iodine oxide aggregates and monohydrates

Biotic and abiotic emissions of molecular iodine and iodocarbons from the sea or the ice surface and the intertidal zone to the coastal/polar marine boundary layer lead to the formation of iodine oxides, which subsequently nucleate forming iodine oxide particles (IOPs). Although the link between coastal iodine emissions and ultrafine aerosol bursts is well established, the details of the nucleation mechanism have not yet been elucidated. In this paper, results of a theoretical study of a range of potentially relevant aggregation reactions of different iodine oxides, as well as complexation with water molecules, are reported. Thermochemical properties of these reactions are obtained from high level ab initio correlated calculations including spin–orbit corrections. The results show that the nucleation path most likely proceeds through dimerisation of I2O4. It is also shown that water can hinder gas-to-particle conversion to some extent, although complexation with key iodine oxides does not remove enough of these to stop IOP formation. A consistent picture of this process emerges from the theoretical study presented here and the findings of a new laboratory study reported in the accompanying paper (Gomez Martin et al., 2013).

In situ control of the GE(100)surface domain structure for III-V multijunction solar cells

Vicinal Ge(100) is the common substrate for state of the art multi-junction solar cells grown by metal-organic vapor phase epitaxy (MOVPE). While triple junction solar cells based on Ge(100) present efficiencies mayor que 40%, little is known about the microscopic III-V/Ge(100) nucleation and its interface formation. A suitable Ge(100) surface preparation prior to heteroepitaxy is crucial to achieve low defect densities in the III-V epilayers. Formation of single domain surfaces with double layer steps is required to avoid anti-phase domains in the III-V films. The step formation processes in MOVPE environment strongly depends on the major process parameters such as substrate temperature, H2 partial pressure, group V precursors [1], and reactor conditions. Detailed investigation of these processes on the Ge(100) surface by ultrahigh vacuum (UHV) based standard surface science tools are complicated due to the presence of H2 process gas. However, in situ surface characterization by reflection anisotropy spectroscopy (RAS) allowed us to study the MOVPE preparation of Ge(100) surfaces directly in dependence on the relevant process parameters [2, 3, 4]. A contamination free MOVPE to UHV transfer system [5] enabled correlation of the RA spectra to results from UHV-based surface science tools. In this paper, we established the characteristic RA spectra of vicinal Ge(100) surfaces terminated with monohydrides, arsenic and phosphorous. RAS enabled in situ control of oxide removal, H2 interaction and domain formation during MOVPE preparation.