Computation of Electrostatic Field near Three-Dimensional Corners and Edges

Theoretically, the electric field becomes infinite at corners of two and three dimensions and edges of three dimensions. Conventional finite-element and boundary element methods do not yield satisfactory results at close proximity to these singular locations. In this paper, we describe the application of a fast and accurate BEM solver (which usesexact analytic expressions to compute the effect of source distributions on flatsurfaces) to compute the electric field near three-dimensional corners and edges. Results have been obtained for distances as close as 1$\mu m$ near the corner/edge and good agreement has been observed between the present results and existing analytical solutions.Comment: Presented in International Conference on Computational and Experimental Engineering and Sciences held at IIT Madras, Chennai, India, during 1-6 December, 200

2D Cu(I)‑I Coordination Polymer with Smart Optoelectronic Properties and Photocatalytic Activity as a Versatile Multifunctional Material

This work presents two isostructural Cu(I)-I 2-fluoropyrazine (Fpyz) luminescent and semiconducting 2D coordination polymers (CPs). Hydrothermal synthesis allows the growth of P-1 space group single crystals, whereas solvent-free synthesis produces polycrystals. Via recrystallization in acetonitrile, P21 space group single crystals are obtained. Both show a reversible luminescent response to temperature and pressure. Structure determination by single-crystal X-ray diffraction at 200 and 100 K allows us to understand their response as a function of temperature. Applying hydrostatic/uniaxial pressure or grinding also generates significant variations in their emission. The high structural flexibility of the Cu(I)-I chain is significantly linked to the corresponding alterations in structure. Remarkably, pressure can increase the conductivity by up to 3 orders of magnitude. Variations in resistivity are consistent with changes in the band gap energy. The experimental results are in agreement with the DFT calculations. These properties may allow the use of these CPs as optical pressure or temperature sensors. In addition, their behavior as a heterogeneous photocatalyst of persistent organic dyes has also been investigatedThanks to Micro and Nanotechnology Institute CNM-CSIC for SEM images. Thanks to the SCXRD laboratory of the Interdepartmental Research Service and to Servicios Generales de Apoyo a la Investigación (SEGAI) at La Laguna University. This work has been supported by MCINN/AEI/ 10.13039/ 5011000011033 under the National Program of Sciences and Technological Materials, PID2019-108028GB-C22, PID2019- 106383GB-C41/C44, and TED2021-131132B-C22. Thanks to Gobierno d e Canarias and EU-FEDER (grant: ProID2020010067). This study forms part of the Advanced Materials program and was supported by MCIN with funding from European Union Next Generation EU (PRTR-C17.I1) and by Generalitat Valenciana (grant MFA/2022/007 and PROMETEO CIPROM/2021/075-GREENMAT). A.L. (R.T.) and D.E. thank the Generalitat Valenciana for the Ph.D. (Postdoctoral) Fellowship No. GRISOLIAP/2019/025 (CIAPOS/2021/20). J.C.G. and R. W. acknowledge the support from the Spanish Ministry of Science and Innovation (RTI2018-097508-B-I00, PID2021-128313OB-I00, TED2021- 131018B-C22) and the Regional Government of Madrid through projects NMAT2D-CM (S2018/NMT-4511). J.C.G. acknowledges support from the Regional Government of Madrid through “Proyectos Sinérgicos de I + D” (grant Y2018/NMT-5028 FULMATEN-CM) and NANOCOV-CM (REACT-UE). IMDEA Nanociencia acknowledges support from the Severo Ochoa Programme for Centres of Excellence in R&D (MINECO, grant CEX2020-001039-S

Assembly-Induced Bright-Light Emission from Solution-Processed Platinum(II) Inorganic Polymers

Synthesis, processing, and characterization are reported for a series of tetracyanoplatinate Magnus' salt (TCN-MS) derivatives-soluble derivatives of the generally intractable Magnus' green salt-that feature the general structure [Pt(NH2R)(4)] [Pt(CN)(4)] where R is a branched alkyl group or a w-phenylalkyl group. In solutions, these coordination compounds generally dissolve on the level of individual ion pairs as shown by X-ray diffraction analysis. To enable the formation of quasi-one-dimensional linear stacks of Pt(II) atoms in thin films, the matrix-assisted assembly is employed, whereby the compounds are codissolved with poly(ethylene oxide) (PEO), followed by film casting, thermally activated assembly, and eventual removal of PEO. Remarkably, assembled TCN-MS inorganic polymers exhibit bright blue-green photoluminescence. A detailed investigation of the assembly process and simultaneously modified solid-state optical properties is performed using a range of microscopy, optical and vibrational spectroscopy, and thermal analysis techniques. Given their unusual combination of optical properties, namely, transparency in the visible region, high photoluminescence quantum efficiencies (up to 13% in first-demonstration samples), and large Stokes shifts (up to 1 eV), TCN-MS derivatives are proposed as a promising class of light-emitting materials for emerging applications in molecular optoelectronics, the potential and challenges of which are discussed.The work in Barcelona was financially supported by the Ministerio de Economía y Competitividad of Spain through the Severo Ochoa Programme for Centres of Excellence in R&D (SEV-2015-0496) and project MAT2015-70850-P and the European Research Council (ERC) under grant agreement no. 648901. The work in Madrid and Valencia was supported by the Spanish Ministerio de Economía y Competitividad (MINECO-FEDER project CTQ2017-87054); the work in Madrid was further supported by the Severo Ochoa Programme for Centers of Excellence in R&D program of the MINECO (SEV-2016-0686) and by the Campus of International Excellence (CEI) UAM + CSIC.Peer reviewe

Azimuthal anisotropy of charged jet production in root s(NN)=2.76 TeV Pb-Pb collisions

We present measurements of the azimuthal dependence of charged jet production in central and semi-central root s(NN) = 2.76 TeV Pb-Pb collisions with respect to the second harmonic event plane, quantified as nu(ch)(2) (jet). Jet finding is performed employing the anti-k(T) algorithm with a resolution parameter R = 0.2 using charged tracks from the ALICE tracking system. The contribution of the azimuthal anisotropy of the underlying event is taken into account event-by-event. The remaining (statistical) region-to-region fluctuations are removed on an ensemble basis by unfolding the jet spectra for different event plane orientations independently. Significant non-zero nu(ch)(2) (jet) is observed in semi-central collisions (30-50% centrality) for 20 <p(T)(ch) (jet) <90 GeV/c. The azimuthal dependence of the charged jet production is similar to the dependence observed for jets comprising both charged and neutral fragments, and compatible with measurements of the nu(2) of single charged particles at high p(T). Good agreement between the data and predictions from JEWEL, an event generator simulating parton shower evolution in the presence of a dense QCD medium, is found in semi-central collisions. (C) 2015 CERN for the benefit of the ALICE Collaboration. Published by Elsevier B.V. This is an open access article under the CC BY license (http://creativecommons.org/licenses/by/4.0/).Peer reviewe

Forward-central two-particle correlations in p-Pb collisions at root s(NN)=5.02 TeV

Two-particle angular correlations between trigger particles in the forward pseudorapidity range (2.5 2GeV/c. (C) 2015 CERN for the benefit of the ALICE Collaboration. Published by Elsevier B. V.Peer reviewe

Event-shape engineering for inclusive spectra and elliptic flow in Pb-Pb collisions at root(NN)-N-S=2.76 TeV

Peer reviewe

Pseudorapidity and transverse-momentum distributions of charged particles in proton-proton collisions at root s=13 TeV

The pseudorapidity (eta) and transverse-momentum (p(T)) distributions of charged particles produced in proton-proton collisions are measured at the centre-of-mass energy root s = 13 TeV. The pseudorapidity distribution in vertical bar eta vertical bar <1.8 is reported for inelastic events and for events with at least one charged particle in vertical bar eta vertical bar <1. The pseudorapidity density of charged particles produced in the pseudorapidity region vertical bar eta vertical bar <0.5 is 5.31 +/- 0.18 and 6.46 +/- 0.19 for the two event classes, respectively. The transverse-momentum distribution of charged particles is measured in the range 0.15 <p(T) <20 GeV/c and vertical bar eta vertical bar <0.8 for events with at least one charged particle in vertical bar eta vertical bar <1. The evolution of the transverse momentum spectra of charged particles is also investigated as a function of event multiplicity. The results are compared with calculations from PYTHIA and EPOS Monte Carlo generators. (C) 2015 CERN for the benefit of the ALICE Collaboration. Published by Elsevier B.V. This is an open access article under the CC BY license (http://creativecommons.org/licenses/by/4.0/).Peer reviewe

Centrality evolution of the charged-particle pseudorapidity density over a broad pseudorapidity range in Pb-Pb collisions at root s(NN)=2.76TeV

Peer reviewe

Elliptic flow of muons from heavy-flavour hadron decays at forward rapidity in Pb-Pb collisions at root s(NN)=2.76TeV

The elliptic flow, v(2), of muons from heavy-flavour hadron decays at forward rapidity (2.5 <y <4) is measured in Pb-Pb collisions at root s(NN)= 2.76TeVwith the ALICE detector at the LHC. The scalar product, two- and four-particle Q cumulants and Lee-Yang zeros methods are used. The dependence of the v(2) of muons from heavy-flavour hadron decays on the collision centrality, in the range 0-40%, and on transverse momentum, p(T), is studied in the interval 3 <p(T)<10 GeV/c. A positive v(2) is observed with the scalar product and two-particle Q cumulants in semi-central collisions (10-20% and 20-40% centrality classes) for the p(T) interval from 3 to about 5GeV/c with a significance larger than 3 sigma, based on the combination of statistical and systematic uncertainties. The v(2) magnitude tends to decrease towards more central collisions and with increasing pT. It becomes compatible with zero in the interval 6 <p(T)<10 GeV/c. The results are compared to models describing the interaction of heavy quarks and open heavy-flavour hadrons with the high-density medium formed in high-energy heavy-ion collisions. (C) 2015 CERN for the benefit of the ALICE Collaboration. Published by Elsevier B.V.Peer reviewe