Numerical investigation of oil injection in a Roots blower operated as expander

The adoption of positive displacement machines as expanders in Organic Rankine Cycles (ORCs) is increasingly common, especially in the low to medium power range. At the same time, these devices often serve as compressor in Vapor-Compression Refrigeration Systems. In both cases, the application of Computation Fluid Dynamics (CFD) to optimize such machines has become an integrated tool in the design process. As a consequence, several challenges associated with the numerical simulation have to be taken into account. For example, the modeling of the gap represents a challenge for the stability of the numerical analysis. The dynamic of the process, combined with deformations of the clearances and of the working chamber has to be considered with extra care. To raise the efficiency of the machine, oil is typically injected. Its numerical modeling imply an extra challenge in the simulation of the actual operation of the machine. The present work is mainly focused on the multi-phase nature of the flow, with a particular analysis of the lubricant oil injected. In this work, a two-lobe Roots blower operated as expander has been simulated with the open-source software OpenFOAM-v1812, using the SCORG-V5.2.2. This analysis highlights the areas that are affected the most by the oil presence in order to highlight the sealing effect it provides

Synthesis And Characterization Of Polyynes End-Capped By Biphenyl Groups ({\Alpha},{\Omega}-Biphenylpolyynes)

Stable polyyne chains terminated with biphenyl end groups (a,u-biphenylpolyynes) were synthesized in a single step through a simple procedure by using the Cadiot-Chodkiewicz reaction conditions. The a,ubiphenylpolyynes were separated through HPLC analysis and identified by means of their electronic absorption spectra. The a,u-biphenylpolyynes were studied by FT-IR and Raman spectroscopy and the spectral interpretation was supported with DFT calculations. A peculiarly low reactivity of a,u-biphenylpolyynes with ozone was observed.Comment: The research leading to these results has received funding from the European Research Council Consolidator Grant EspLORE (ERC-2016-CoG Grant No.724610

Carbon-atom wires produced by nanosecond pulsed laser deposition in a background gas

Wires of sp-hybridized carbon atoms are attracting interest for both fundamental aspects of carbon science and for their appealing functional properties. The synthesis by physical vapor deposition has been reported to provide sp-rich carbon films but still needs to be further developed and understood in detail. Here the synthesis of carbon-atom wires (CAWs) has been achieved by nanosecond pulsed laser deposition (PLD) expoliting the strong out-of-equilibrium conditions occurring when the ablation plasma is confined in a background gas. Surface Enhnaced Raman scattering (SERS) spectra of deposited films indicates that CAWs are mixed with a mainly $sp^2$ amorphous carbon in a $sp-sp^2$ hybrid material. Optimal conditions for the deposition of sp-carbon phase have been investigated by changing deposition parameters thus suggesting basic mechanisms of carbon wires formation. Our proof-of-concept may open new perspectives for the targeted fabrication of CAWs and $sp-sp^2$ structures.Comment: 15 pages 4 figure

Designing All Graphdiyne Materials as Graphene Derivatives: Topologically Driven Modulation of Electronic Properties

Designing new 2D systems with tunable properties is an important subject for science and technology. Starting from graphene, we developed an algorithm to systematically generate 2D carbon crystals belonging to the family of graphdiynes (GDYs) and having different structures and sp/sp(2) carbon ratios. We analyze how structural and topological effects can tune the relative stability and the electronic behavior, to propose a rationale for the development of new systems with tailored properties. A total of 26 structures have been generated, including the already known polymorphs such as alpha-, beta-, and gamma-GDY. Periodic density functional theory calculations have been employed to optimize the 2D crystal structures and to compute the total energy, the band structure, and the density of states. Relative energies with respect to graphene have been found to increase when the values of the carbon sp/sp(2) ratio increase, following however different trends based on the peculiar topologies present in the crystals. These topologies also influence the band structure, giving rise to semiconductors with a finite band gap, zero-gap semiconductors displaying Dirac cones, or metallic systems. The different trends allow identifying some topological effects as possible guidelines in the design of new 2D carbon materials beyond graphene

Bulk Cr tips for scanning tunneling microscopy and spin-polarized scanning tunneling microscopy

A simple, reliable method for preparation of bulk Cr tips for Scanning Tunneling Microscopy (STM) is proposed and its potentialities in performing high-quality and high-resolution STM and Spin Polarized-STM (SP-STM) are investigated. Cr tips show atomic resolution on ordered surfaces. Contrary to what happens with conventional W tips, rest atoms of the Si(111)-7x7 reconstruction can be routinely observed, probably due to a different electronic structure of the tip apex. SP-STM measurements of the Cr(001) surface showing magnetic contrast are reported. Our results reveal that the peculiar properties of these tips can be suited in a number of STM experimental situations

Patterning Large-Scale Nanostructured Microarrays on Coverslip for Sensitive Plasmonic Detection of Aqueous Gliadin Traces

(c) The Author/sUser-friendly devices for detecting low gliadin content in commercial foods are of extreme importance for people with gluten diseases. With this concern, the present work proposes a rapid and sensitive optical nanostructured microarrays platform for the detection of gliadin using specific anti-gliadin IgG antibodies immobilized on annealed gold nanostructures (AuNPs) obtained after the high annealing process (550◦C) of gold thin films evaporated on commercial glass coverslips. Localized Surface Plasmon Resonance (LSPR) immunosensing of gliadin in the range of 0.1 ppm to 1000 ppm is successfully achieved. In addition, the biofunctionalization protocol was used for gluten screening in five food complex products.Publishe

Full 3D numerical analysis of a twin screw compressor by employing open-source software

The push for having more reliable and efficient positive displacement machines (both compressors and expanders) for vapor compression and power generation (e.g., ORCs) applications has moved researchers to an always more spread employment of computational fluid dynamics (CFD). In particular, twin screw compressors, because of their high efficiency compared to other compressor types, have received interest over the last years. The numerical analysis of such machines is challenging: the deforming working chambers are very difficult to be correctly replicated. The relative motion of the rotors and the variation of the gaps during machine operation are few of the major difficulties in implementing reliable CFD models. A custom mesh generation algorithm is therefore often required for sumulating the machine operation. In this work, SCORG-V5.2.2 was used to generate the meshes of the deforming domain around rotating parts of the machines. The open-source software OpenFOAM-v1606+ is then employed to compute the flow field associated with the operation of the twin screw. The coupling of the two tools has been carried out in this work, applying the methodology to a twin screw machine

Low-frequency modes in the Raman spectrum of sp-sp2 nanostructured carbon

A novel form of amorphous carbon with sp-sp2 hybridization has been recently produced by supersonic cluster beam deposition showing the presence in the film of both polyynic and cumulenic species [L. Ravagnan et al. Phys. Rev. Lett. 98, 216103 (2007)]. Here we present a in situ Raman characterization of the low frequency vibrational region (400-800 cm-1) of sp-sp2 films at different temperatures. We report the presence of two peaks at 450 cm-1 and 720 cm-1. The lower frequency peak shows an evolution with the variation of the sp content and it can be attributed, with the support of density functional theory (DFT) simulations, to bending modes of sp linear structures. The peak at 720 cm-1 does not vary with the sp content and it can be attributed to a feature in the vibrational density of states activated by the disorder of the sp2 phase.Comment: 15 pages, 5 figures, 1 tabl

Interface coupling in Au-supported MoS2–WS2 heterobilayers grown by pulsed laser deposition

Van der Waals heterostructures of transition metal dichalcogenides (TMDs) are promising systems for engineering functional layered 2D materials with tailored properties. In this work, we study the growth of WS2/MoS2 and MoS2/WS2 heterobilayers by pulsed laser deposition (PLD) under ultra-high vacuum conditions. Using Au(111) as growth substrate, we investigated the heterobilayer morphology and structure at the nanoscale by in-situ scanning tunneling microscopy. Our experiments show that the heterostructure growth can be controlled with high coverage and thickness sensitivity by tuning the number of laser pulses in the PLD process. Raman spectroscopy complemented our investigation, revealing the effect of the interaction with the metallic substrate on the TMD vibrational properties and a strong interlayer coupling between the MoS2 and WS2 layers. The transfer of the heterobilayers on a silica substrate via a wet etching process shows the possibility to decouple them from the native metallic substrate and confirms that the interlayer coupling is not substrate-dependent. This work highlights the potential of the PLD technique as a method to grow TMD heterostructures, opening to new perspectives in the synthesis of complex 2D layered materials