Chemical ordering and composition fluctuations at the (001) surface of the Fe-Ni Invar alloy

We report on a study of (001) oriented fcc Fe-Ni alloy surfaces which combines first-principles calculations and low-temperature STM experiments. Density functional theory calculations show that Fe-Ni alloy surfaces are buckled with the Fe atoms slightly shifted outwards and the Ni atoms inwards. This is consistent with the observation that the atoms in the surface layer can be chemically distinguished in the STM image: brighter spots (corrugation maxima with increased apparent height) indicate iron atoms, darker ones nickel atoms. This chemical contrast reveals a c2x2 chemical order (50% Fe) with frequent Fe-rich defects on Invar alloy surface. The calculations also indicate that subsurface composition fluctuations may additionally modulate the apparent height of the surface atoms. The STM images show that this effect is pronounced compared to the surfaces of other disordered alloys, which suggests that some chemical order and corresponding concentration fluctuations exist also in the subsurface layers of Invar alloy. In addition, detailed electronic structure calculations allow us to identify the nature of a distinct peak below the Fermi level observed in the tunneling spectra. This peak corresponds to a surface resonance band which is particularly pronounced in iron-rich surface regions and provides a second type of chemical contrast with less spatial resolution but one that is essentially independent of the subsurface composition.Comment: 7 pages, 5 figure

Inter-annual trends of ultrafine particles in urban Europe

Ultrafine particles (UFP, those with diameters ≤ 100 nm), have been reported to potentially penetrate deeply into the respiratory system, translocate through the alveoli, and affect various organs, potentially correlating with increased mortality. The aim of this study is to assess long-term trends (5–11 years) in mostly urban UFP concentrations based on measurements of particle number size distributions (PNSD). Additionally, concentrations of other pollutants and meteorological variables were evaluated to support the interpretations. PNSD datasets from 12 urban background (UB), 5 traffic (TR), 3 suburban background (SUB) and 1 regional background (RB) sites in 15 European cities and 1 in the USA were evaluated. The non-parametric Theil-Sen's method was used to detect monotonic trends. Meta-analyses were carried out to assess the overall trends and those for different environments. The results showed significant decreases in NO, NO2, BC, CO, and particle concentrations in the Aitken (25–100 nm) and the Accumulation (100–800 nm) modes, suggesting a positive impact of the implementation of EURO 5/V and 6/VI vehicle standards on European air quality. The growing use of Diesel Particle Filters (DPFs) might also have clearly reduced exhaust emissions of BC, PM, and the Aitken and Accumulation mode particles. However, as reported by prior studies, there remains an issue of poor control of Nucleation mode particles (smaller than 25 nm), which are not fully reduced with current DPFs, without emission controls for semi-volatile organic compounds, and might have different origins than road traffic. Thus, contrasting trends for Nucleation mode particles were obtained across the cities studied. This mode also affected the UFP and total PNC trends because of the high proportion of Nucleation mode particles in both concentration ranges. It was also found that the urban temperature increasing trends might have also influenced those of PNC, Nucleation and Aitken modes.</p

Recommendations for reporting equivalent black carbon (eBC) mass concentrations based on long-term pan-European in-situ observations

A reliable determination of equivalent black carbon (eBC) mass concentrations derived from filter absorption photometers (FAPs) measurements depends on the appropriate quantification of the mass absorption cross-section (MAC) for converting the absorption coefficient (babs) to eBC. This study investigates the spatial–temporal variability of the MAC obtained from simultaneous elemental carbon (EC) and babs measurements performed at 22 sites. We compared different methodologies for retrieving eBC integrating different options for calculating MAC including: locally derived, median value calculated from 22 sites, and site-specific rolling MAC. The eBC concentrations that underwent correction using these methods were identified as LeBC (local MAC), MeBC (median MAC), and ReBC (Rolling MAC) respectively. Pronounced differences (up to more than 50 %) were observed between eBC as directly provided by FAPs (NeBC; Nominal instrumental MAC) and ReBC due to the differences observed between the experimental and nominal MAC values. The median MAC was 7.8 ± 3.4 m2 g-1 from 12 aethalometers at 880 nm, and 10.6 ± 4.7 m2 g-1 from 10 MAAPs at 637 nm. The experimental MAC showed significant site and seasonal dependencies, with heterogeneous patterns between summer and winter in different regions. In addition, long-term trend analysis revealed statistically significant (s.s.) decreasing trends in EC. Interestingly, we showed that the corresponding corrected eBC trends are not independent of the way eBC is calculated due to the variability of MAC. NeBC and EC decreasing trends were consistent at sites with no significant trend in experimental MAC. Conversely, where MAC showed s.s. trend, the NeBC and EC trends were not consistent while ReBC concentration followed the same pattern as EC. These results underscore the importance of accounting for MAC variations when deriving eBC measurements from FAPs and emphasize the necessity of incorporating EC observations to constrain the uncertainty associated with eBC.</p

Trace elements in size-segregated urban aerosol in relation to the anthropogenic emission sources and the resuspension

Size segregated particulate samples of atmospheric aerosols in urban site of continental part of Balkans were collected during 6 months in 2008. Six stages impactor in the size ranges: Dp ≤ 0.49 μm, 0.49 < Dp ≤ 0.95 μm, 0.95 < Dp ≤ 1.5 μm, 1.5 < Dp ≤ 3.0 μm, 3.0 < Dp ≤ 7.2 μm, and 7.2 < Dp ≤ 10.0 μm was applied for sampling. ICP-MS was used to quantify elements: Al, As, Bi, Ca, Cd, Co, Cr, Cu, Fe, Ga, K, Li, Na, Ni, Mg, Mn, Pb, Sb, V, and Zn. Two main groups of elements were investigated: (1) K, V, Ni, Zn, Pb, As, and Cd with high domination in nuclei mode indicating the combustion processes as a dominant sources and (2) Al, Fe, Ca, Mg, Na, Cr, Ga, Co, and Li in coarse mode indicating mechanical processes as their main origin. The strictly crustal origin is for Mg, Fe, Ca, and Co while for As, Cd, K, V, Ni, Cu, Pb, and Zn dominates the anthropogenic influence. The PCA analysis has shown that main contribution is of resuspension (PC1, σ2 ≈ 30 %) followed by traffic (PC2, σ2 ≈ 20 %) that are together contributing around 50 % of elements in the investigated urban aerosol. The EF model shows that major origin of Cd, K, V, Ni, Cu, Pb, Zn, and As in the fine mode is from the anthropogenic sources while increase of their contents in the coarse particles indicates their deposition from the atmosphere and soil contamination. This approach is useful for the assessment of the local resuspension influence on element’s contents in the aerosol and also for the evaluation of the historical pollution of soil caused by deposition of metals from the atmosphere

Fixed neutron absorbers for improved nuclear safety and better economics in nuclear fuel storage, transport and disposal

Current designs of both large reactor units and small modular reactors utilize a nuclear fuel with increasing enrichment. This increasing demand for better nuclear fuel utilization is a challenge for nuclear fuel handling facilities. The operation with higher enriched fuels leads to reduced reserves to legislative and safety criticality limits of spent fuel transport, storage and final disposal facilities. Design changes in these facilities are restricted due to a boron content in steel and aluminum alloys that are limited by rolling, extrusion, welding and other manufacturing processes. One possible solution for spent fuel pools and casks is the burnup credit method that allows decreasing very high safety margins associated with the fresh fuel assumption in spent fuel facilities. This solution can be supplemented or replaced by an alternative solution based on placing the neutron absorber material directly into the fuel assembly, where its efficiency is higher than between fuel assemblies. A neutron absorber permanently fixed in guide tubes decreases system reactivity more efficiently than absorber sheets between the fuel assemblies. The paper summarizes possibilities of fixed neutron absorbers for various nuclear fuel and fuel handling facilities. Moreover, an absorber material was optimized to propose alternative options to boron. Multiple effective absorbers that do not require steel or aluminum alloy compatibility are discussed because fixed absorbers are placed inside zirconium or steel cladding

Size-Resolved Penetration Through High-Efficiency Filter Media Typically Used for Aerosol Sampling

<div><p>We have developed a new, fully controlled filter testing device and have used it to measure size-resolved penetration through a typically used filtration media for (but not only) atmospheric aerosol sampling. Twenty membrane and fiber filter pieces (mixed cellulose ester filters, polytetrafluoroethylene filters, quartz fiber filters, glass fiber filters, and polycarbonate filters) of various manufacturers and filter codes were examined. High variability in the penetration curve shapes, most penetrating particle size (MPPS) (from 20 nm to 90 nm) and penetration maxima (from 0.001% to almost 100%) has been found. The dependence of pressure drop on face velocity generally agrees with theory, the comparison of penetration at various face velocities proved the theoretical equations being able to determine MPPS only partially correctly. Although the variability within an individual filter of the same code is not negligible, it is small compared to the differences between the various filter types. The results not only differed from the information provided by the manufacturers, but in many cases also provided information otherwise unavailable, although affecting the sampling and also the ability of comparison with theory. To have enough information for the proper choice of the filter for a given purpose, it would be necessary to have not only total penetration given from the DOP standard measurement, but the MPPS, penetration maximum value and pressure drop as well.</p><p>Copyright 2015 American Association for Aerosol Research</p></div

A merging algorithm for aerosol size distribution from multiple instruments

Summarization: A simple algorithm for merging aerosol number particle size distribution (AMANpsd) data from multiple instruments is presented. The code uses a multilognormal model for the evaluation of merged aerosol particle size distribution data. AMANpsd is able to recalculate the aerodynamic diameter to the mobility diameter in the cases when, e.g., the Aerodynamic Particle Sizer data need to be connected to the data obtained by the Scanning Mobility Particle Sizer. The only assumption is the lognormality of the particle size distribution. As a result, the algorithm gives the parameters of the multilognormal model (particle number concentration, geometric mean diameter, and geometric standard deviation of each single lognormal mode). The algorithm was tested on a set of data from intensive indoor/outdoor measurement campaigns performed in Prague (Czech Republic), Oslo (Norway), and Milan (Italy). The particle size distribution data set covers the range of particle mobility diameters from 2 nm up to 8 μm. The agreement between the multilognormal model and the available experimental data from multiple instruments was satisfactory.Παρουσιάστηκε στο: Water Air and Soil Pollutio