Structural, Vibrational and Thermodynamic Properties of AgnCu34-n Nanoparticles

We report results of a systematic study of structural, vibrational and thermodynamical properties of 34-atom bimetallic nanoparticles from the AgnCu34-n family using model interaction potentials as derived from the embedded atom method and in the harmonic approximation of lattice dynamics. Systematic trends in the bond length and dynamical properties can be explained largely on arguments based on local coordination and elemental environment. Thus increase in the number of silver atoms in a given neighborhood introduces a monotonic increase in bond length while increase of the copper content does the reverse. Moreover, based on bond lengths of the lowest coordinated (6 and 8) copper atoms with their nearest neighbors (Cu atoms), we find that the nanoparticles divide into two groups with average bond length either close to (~ 2.58 A) or smaller (~ 2.48 A) than that in bulk copper, accompanied by characteristic features in their vibrational density of states. For the entire set of nanoparticles, vibrational modes are found above the bulk bands of copper/silver. Furthermore, a blue shift in the high frequency end with increasing number of copper atoms in the nanoparticles is traced to a shrinkage of bond lengths from bulk values. The vibrational densities of states at the low frequency end of the spectrum scale linearly with frequency as for single element nanoparticles, however, the effect is more pronounced for these nanoalloys. The Debye temperature was found to be about one third of that of the bulk for pure copper and silver nanoparticles with a non-linear increase with increasing number of copper atoms in the nanoalloys.Comment: 37 pages, 12 figure

Investigation of slug mitigation: self-lifting approach in a deepwater oil field

Slug flow is a flow assurance issue that staggers production and, in some cases, 'kills the flow' of the well. Severe slugging, a type of slugging which usually occurs at the base of the riser column, causes large amplitudes in the fluctuation of pressure within the riser column and consequently damages equipment placed topside. An adaptation of a novel concept to slug mitigation: the self-lifting model, is presented. This model presents variations to the internal diameter of the self-lift bypass to produce effective mitigation to severe slugging

Hazardous waste management system design under population and environmental impact considerations

This paper presents a multi objective mixed integer location/routing model that aims to minimize transportation cost and risks for large-scale hazardous waste management systems (HWMSs). Risks induced by hazardous wastes (HWs) on both public and the environment are addressed. For this purpose, a new environmental impact definition is proposed that considers the environmentally vulnerable elements including water bodies, agricultural areas, coastal regions and forestlands located within a certain bandwidth around transportation routes. The solution procedure yields to Pareto optimal curve for two conflicting objectives. The conceptual model developed prior to mathematical formulation addresses waste-to-technology compatibility and HW processing residues to assure applicability of the model to real-life HWMSs. The suggested model was used in a case study targeting HWMS in Turkey. Based on the proposed solution, it was possible to identify not only the transportation routes but also a set of information on HW handling facilities including the types, locations, capacities, and investment/operational cost. The HWMS of this study can be utilized both by public authorities and private sector investors for planning purposes. © 2016 Elsevier Lt

Modelling the impact of climate change risk on supply chain performance

Climate change is among the top global risks due to its growing adverse impact on businesses. However, few empirical studies address this imminent risk from a supply chain perspective. Due to a lack of established approaches for capturing complex interaction between climate change risk and supply chain performance, a three-phase mixed methodology approach was attempted. A cognitive map first captured the inter-relationships based on a mental model established by a group of experts. Later, a survey gathered from industry practitioners assessing causal relationships identified key climate change factors and most influenced supply chain performance dimensions. Finally, a system dynamics model supported by multiple case scenarios assessed the implications of climate change on supply chain performance. The results indicated a significant reduction in the availability of natural resources/raw material and capacity, leading to increase in stock-outs, inventory costs and bottlenecks disrupting procurement, manufacturing and logistics functions. Supply chain performance captured through efficiency and effectiveness shows a negative trend with increasing climate change consequences. The systems approach followed in this paper contributes by providing a quantitative model for assessing the impact of climate change risk on supply chain performance

A New Class of Changing-Look LINERs

We report the discovery of six active galactic nuclei (AGN) caught "turning on" during the first nine months of the Zwicky Transient Facility (ZTF) survey. The host galaxies were classified as LINERs by weak narrow forbidden line emission in their archival SDSS spectra, and detected by ZTF as nuclear transients. In five of the cases, we found via follow-up spectroscopy that they had transformed into broad-line AGN, reminiscent of the changing-look LINER iPTF 16bco. In one case, ZTF18aajupnt/AT2018dyk, follow-up HST UV and ground-based optical spectra revealed the transformation into a narrow-line Seyfert 1 (NLS1) with strong [Fe VII, X, XIV] and He II 4686 coronal lines. Swift monitoring observations of this source reveal bright UV emission that tracks the optical flare, accompanied by a luminous soft X-ray flare that peaks ~60 days later. Spitzer follow-up observations also detect a luminous mid-infrared flare implying a large covering fraction of dust. Archival light curves of the entire sample from CRTS, ATLAS, and ASAS-SN constrain the onset of the optical nuclear flaring from a prolonged quiescent state. Here we present the systematic selection and follow-up of this new class of changing-look LINERs, compare their properties to previously reported changing-look Seyfert galaxies, and conclude that they are a unique class of transients well-suited to test the uncertain physical processes associated with the LINER accretion state.Comment: Submitted to ApJ, 31 pages, 17 Figures (excluding Appendix due to file size constraints but will be available in electronic version

EU Agro Biogas Project

EU-AGRO-BIOGAS is a European Biogas initiative to improve the yield of agricultural biogas plants in Europe, to optimise biogas technology and processes and to improve the efficiency in all parts of the production chain from feedstock to biogas utilisation. Leading European research institutions and universities are cooperating with key industry partners in order to work towards a sustainable Europe. Fourteen partners from eight European countries are involved. EU-AGRO-BIOGAS aims at the development and optimisation of the entire value chain – to range from the production of raw materials, the production and refining of biogas to the utilisation of heat and electricity

Vibrational Properties of Nanoscale Materials: From Nanoparticles to Nanocrystalline Materials

The vibrational density of states (VDOS) of nanoclusters and nanocrystalline materials are derived from molecular-dynamics simulations using empirical tight-binding potentials. The results show that the VDOS inside nanoclusters can be understood as that of the corresponding bulk system compressed by the capillary pressure. At the surface of the nanoparticles the VDOS exhibits a strong enhancement at low energies and shows structures similar to that found near flat crystalline surfaces. For the nanocrystalline materials an increased VDOS is found at high and low phonon energies, in agreement with experimental findings. The individual VDOS contributions from the grain centers, grain boundaries, and internal surfaces show that, in the nanocrystalline materials, the VDOS enhancements are mainly caused by the grain-boundary contributions and that surface atoms play only a minor role. Although capillary pressures are also present inside the grains of nanocrystalline materials, their effect on the VDOS is different than in the cluster case which is probably due to the inter-grain coupling of the modes via the grain-boundaries.Comment: 10 pages, 7 figures, accepted for publication in Phys. Rev.