Search results for " Metal"
showing 10 items of 2159 documents
Ternary transition metals sulfides in hydrotreating catalysis.
2007
International audience; Pure microcrystalline barium molybdate BaMoO4 and barium tungstate BaWO4 materials were prepared by molten flux reaction using alkali metal nitrates as reaction media. The obtained crystals have rhombic shape and expose mostly (111) crystallographic planes. Their mean size depends on the flux temperature and the nature of the alkali metal cation. Monomeric molybdate and tungstate used as precursors yield target products already at 673 K whereas if polymerized ammonium oxosalts were used, then higher temperatures were necessary to obtain barium salts. The optimal temperature for the preparation of pure crystals with well defined shape was found to be near 773 K. UV–vi…
Kopolimery olefin z alkenylosilseskwioksanami
2016
Artykuł stanowi przegląd literatury dotyczącej syntezy i charakterystyki materiałów hybrydowych uzyskanych na drodze kopolimeryzacji alkenylopodstawionych silseskwioksanów z olefinami. Przedstawiono przykłady wykorzystania m.in. procesów kopolimeryzacji koordynacyjnej do syntezy kopolimerów olefin i silseskwioksanów (POSS). Jednocześnie wskazano korzyści płynące z obecności POSS w strukturze polimeru, które przekładają się na jego zwiększoną odporność termiczną oraz parametry mechaniczne.
First principles hybrid Hartree-Fock-DFT calculations of bulk and (001) surface F centers in oxide perovskites and alkaline-earth fluorides
2020
Valuable discussions with E. A. Kotomin are gratefully acknowledged. Research contribution of R. E. and A. I. P. has been performed within the framework of the EUROfusion Enabling Research project: ENR-MFE19.ISSP-UL-02 “Advanced experimental and theoretical analysis of defect evolution and structural disordering in optical and dielectric materials for fusion applications.” The views and opinions expressed herein do not necessarily reflect those of the European Commission.
A half-metallic half-Heusler alloy having the largest atomic-like magnetic moment at optimized lattice constant
2016
For half-Heusler alloys, the general formula is XYZ, where X can be a transition or alkali metal element, Y is another transition metal element, typically Mn or Cr, and Z is a group IV element or a pnicitide. The atomic arrangements within a unit-cell show three configurations. Before this study, most of the predictions of half-metallic properties of half-Heusler alloys at the lattice constants differing from their optimized lattice constant. Based on the electropositivity of X and electronegativity of Z for half-Heusler alloys, we found that one of the configurations of LiCrS exhibits half-metallic properties at its optimized lattice constant of 5.803Å, and has the maximum atomic-like magn…
A consistent path for phase determination based on transmission electron microscopy techniques and supporting simulations.
2018
This work addresses aspects for the analysis of industrial relevant materials via transmission electron microscopy (TEM). The complex phase chemistry and structural diversity of these materials require several characterization techniques to be employed simultaneously; unfortunately, different characterization techniques often lack connection to yield a complete and consistent picture. This paper describes a continuous path, starting with the acquisition of 3D diffraction data - alongside classical high-resolution imaging techniques - and linking the structural characterization of hard metal industrial samples with energy-loss fine-structure simulations, quantitative electron energy-loss (EE…
Tuning of interfacial perpendicular magnetic anisotropy and domain structures in magnetic thin film multilayers
2019
We investigate the magnetic domain structures and the perpendicular magnetic anisotropy (PMA) arising in CoFeB films interfaced with selected heavy metal (HM) layers with large spin Hall angles in HM/CoFeB/MgO (HM = W, Pt, Pd, W x Ta1−x ) stacks as a function of CoFeB thickness and composition for both as-deposited and annealed materials stacks. The coercivity and the anisotropy fields of annealed material stacks are higher than for the as-deposited stacks due to crystallisation of the ferromagnetic layer. Generally a critical thickness of MgO > 1 nm provides adequate oxide formation at the top interface as a requirement for the generation of PMA. We demonstrate that in stacks with Pt as th…
Explosive crystallization in amorphous CuTi thin films: a molecular dynamics study
2019
Abstract Molecular dynamic simulation was used to study mechanism of self-propagating waves of explosive crystallization (devitrification) in the CuTi metallic glass. Processes in thin rectangular samples composed of one to two million atoms were simulated and compared with experimental data. It was shown that the nucleation of primary crystalline clusters occurs homogeneously due to spontaneous fluctuations of atomic structure; the clusters not
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…
Melting temperature prediction by thermoelastic instability: An ab initio modelling, for periclase (MgO)
2021
Abstract Melting temperature (TM) is a crucial physical property of solids and plays an important role for the characterization of materials, allowing us to understand their behavior at non-ambient conditions. The present investigation aims i) to provide a physically sound basis to the estimation of TM through a “critical temperature” (TC), which signals the onset of thermodynamic instability due to a change of the isothermal bulk modulus from positive to negative at a given PC-VC-TC point, such that (∂P/∂V)VC,TC = -(∂2F/∂V2) VC,TC = 0; ii) to discuss the case of periclase (MgO), for which accurate melting temperature observations as a function of pressure are available. Using first princip…
EPR in glass ceramics
2019
Abstract The development of novel materials requires a profound understanding of the relationship between a material's performance and its structural properties. Electron paramagnetic resonance (EPR) is a well-established technique for a direct detection and identification of paramagnetic defects in solids. This chapter provides an overview of the applicability of continuous wave EPR spectroscopy in the studies of glass ceramics focusing on transition metal (Mn2 +, Cu2 +, Cr3 +) and rare earth (Gd3 +, Eu2 +, Er3 +, Yb3 +) ion local structure analysis. EPR spectra features of the above-mentioned paramagnetic probes in glasses and glass ceramics are compared and discussed in detail. The chapt…