Search results for "RIP"
showing 10 items of 9780 documents
An anomalous wave formation at the Al/Cu interface during magnetic pulse welding
2020
This paper reports an anomalous wave formation at an Al/Cu bimetallic interface produced by magnetic pulse welding. The mechanism of the anomalous wave formation is investigated using both metallurgical characterization and the interface kinematics. It reveals that the anomalous wave is formed with the combination of the intermediate zone and the interdiffusion zone with a thickness of 70 nm, wherein the intermediate zone is caused by the local melting due to the high shear instability, and the interdiffusion zone is formed below the melting point of aluminum combined with ultrahigh heating and cooling rates of about 10^13 °C s^−1. A multiphysics simulation of impact welding has been perfor…
Effect of process parameters and crystal orientation on 3D anisotropic stress during CZ and FZ growth of silicon
2017
Abstract Simulations of 3D anisotropic stress are carried out in and oriented Si crystals grown by FZ and CZ processes for different diameters, growth rates and process stages. Temperature dependent elastic constants and thermal expansion coefficients are used in the FE simulations. The von Mises stress at the triple point line is ~5–11% higher in crystals compared to crystals. The process parameters have a larger effect on the von Mises stress than the crystal orientation. Generally, the crystal has a higher azimuthal variation of stress along the triple point line (~8%) than the crystal (~2%). The presence of a crystal ridge increases the stress beside the ridge and decreases it on the ri…
Application of enthalpy model for floating zone silicon crystal growth
2017
Abstract A 2D simplified crystal growth model based on the enthalpy method and coupled with a low-frequency harmonic electromagnetic model is developed to simulate the silicon crystal growth near the external triple point (ETP) and crystal melting on the open melting front of a polycrystalline feed rod in FZ crystal growth systems. Simulations of the crystal growth near the ETP show significant influence of the inhomogeneities of the EM power distribution on the crystal growth rate for a 4 in floating zone (FZ) system. The generated growth rate fluctuations are shown to be larger in the system with higher crystal pull rate. Simulations of crystal melting on the open melting front of the pol…
The Effect of the Harmonic Content Generated by AC/DC Modular Multilevel Converters on HVDC Cable Systems
2019
With the increasing penetration of renewable and decentralized energy sources into the power grid, an extended use of DC voltages is expected on both distribution and transmission levels. Generation of DC voltages by means of voltage source converters is associated with a wide spectrum of harmonic distortions at converter terminals, both on the ac and on the dc sides. This can lead to partial discharges in power cables, which deteriorate insulation material thus weakening its performance and reducing cable life-time. In the previously published paper, the effect of harmonic distortion on appearance of partial discharges in cable insulation was evaluated. Here, the study related to the PD be…
Smoothed Spherical Truncation based on Fuzzy Membership Functions: Application to the Molecular Encoding.
2019
A novel spherical truncation method, based on fuzzy membership functions, is introduced to truncate interatomic (or interaminoacid) relations according to smoothing values computed from fuzzy membership degrees. In this method, the molecules are circumscribed into a sphere, so that the geometric centers of the molecules are the centers of the spheres. The fuzzy membership degree of each atom (or aminoacid) is computed from its distance with respect to the geometric center of the molecule, by using a fuzzy membership function. So, the smoothing value to be applied in the truncation of a relation (or interaction) is computed by averaging the fuzzy membership degrees of the atoms (or aminoacid…
Two bimetallic layered materials with “Cu4Fe3” defective cubane units: syntheses, structures and magnetic properties of {[CuII(tn)]2[FeII(CN)6]}3·[Na…
2005
Abstract Reactions of the [Fe III (CN) 6 ] 3− anion with the [Cu II (tn)] 2+ ion (tn = 1,3-diaminopropane) afford the compounds {[Cu II (tn)] 2 [Fe II (CN) 6 ]}3·[Na 3 Fe III (CN) 6 ]·12H 2 O (1) and {[Cu n (tn)] 2 [Fe II (CN) 6 ]}·KCl·5H 2 O (2). Despite the differences concerning their asymmetric units, both structures present strong similar features: in both structures, the Cu(II) ion presents a square-base pyramidal CuN 5 environment and each [Fe II (CN) 6 ] 4− anion is linked to six Cu(II) ions through its six N atoms leading to infinite [Cu II (tn)] 2 [Fe II (CN) 6 ] layers which can be viewed as 2-D layered arrangement generated by the defective cubane units Cu 4 Fe 3 involving Fe-CN…
Thorough evaluation of OECD principles in modelling of 1-[(2-hydroxyethoxy)methyl]-6-(phenylthio)thymine derivatives using QSARINS.
2020
The human immunodeficiency virus is a lethal pathology considered as a worldwide problem. The search for new strategies for the treatment of this disease continues to be a great challenge in the scientific community. In this study, a series of 107 derivatives of 1-[(2-hydroxyethoxy)methyl]-6-(phenylthio)thymine, previously evaluated experimentally against HIV-I reverse transcriptase, was used to model antiretroviral activity. A model of linear regression, implemented in the QSARINS software, was developed with a genetic algorithm for variable selection. The fit of its parameters was good and exhaustive validation, according to the OECD regulatory principles, was performed. Also, the applica…
Photochemistry and Redox Chemistry of an Unsymmetrical Bimetallic Copper(I) Complex
2016
The bimetallic copper(I) complex Cu2L2 (cis-1) is formed with high diasteroselectivity from [Cu(NCCH3)4][BF4] and HL (4-tert-butyl phenyl(pyrrolato-2-yl-methylene)amine) in a kinetically controlled reaction. cis-1 features a rather short Cu···Cu distance of 2.4756(6) A and is weakly emissive at room temperature in solution. Oxidatively triggered disproportionation of cis-1 yields elemental copper and the mononuclear copper(II) complex CuL2 (trans-2). One-electron reduction of trans-2 gives cuprate [2]– with a bent bis(pyrrolato) coordinated copper(I) entity. The imine donor atoms of [2]– can insert an additional copper(I) ion giving exclusively the bimetallic complex cis-1 closing the oxida…
On the Road to MM′X Polymers: Redox Properties of Heterometallic Ni···Pt Paddlewheel Complexes
2014
On the quest of heterometallic mixed-valence MM'X chains, we have prepared two stable discrete bimetallic compounds: the reduced (PPN)[ClNi(μ-OSCPh)4Pt] (PPN = bis(triphenylphosphine)iminium; OSCPh = benzothiocarboxylato) and the oxidized [(H2O)Ni(μ-OSCPh)4PtCl] species. The role of the aqua and chlorido axial ligands is crucial to facilitate oxidation of the {Ni(μ-OSCPh)4Pt} core. Experimental and theoretical analyses indicate that a NiPt-Cl/Cl-NiPt isomerization process occurs in the oxidized species. The electronic structure of the reduced system shows two unpaired electrons, one located in a d(x(2)-y(2)) orbital of the Ni(II) ion and a second in the antibonding d(z(2)-dz(2)) combination…
Excited-State Kinetics of an Air-Stable Cyclometalated Iron(II) Complex.
2019
The complex class [Fe(N^N^C)(N^N^N)]+ with an Earth-abundant metal ion has been repeatedly suggested as a chromophore and potential photosensitizer on the basis of quantum chemical calculations. Synthesis and photophysical properties of the parent complex [Fe(pbpy)(tpy)]+ (Hpbpy=6-phenyl-2,2'-bipyridine and tpy=2,2':6',2''-terpyridine) of this new chromophore class are now reported. Ground-state characterization by X-ray diffraction, electrochemistry, spectroelectrochemistry, UV/Vis, and X-ray spectroscopy in combination with DFT calculations proves the high impact of the cyclometalating ligand on the electronic structure. The photophysical properties are significantly improved compared to …