Search results for "Mole"

Modeling self-sustaining waves of exothermic dissolution in nanometric Ni-Al multilayers

2016

Abstract The self-sustained propagating reaction occurring in nanometric metallic multilayers was studied by means of molecular dynamics (MD) and numerical modeling. We focused on the phenomenon of the exothermic dissolution of one metallic reactant into the less refractory one, such as Ni into liquid Al. The exothermic character is directly related to a negative enthalpy of mixing. An analytical model based on the diffusion-limited dissolution [1] coupled with heat transfer was derived to account for the main aspects of the process. Together, several microscopic simulations were carried out. The first series were set up to obtain all the parameters governing the process, including the heat…

Optical properties of InN nanocolumns: Electron accumulation at InN non‐polar surfaces and dependence on the growth conditions

2009

InN nanocolumns grown by plasma-assisted molecular beam epitaxy have been studied by photoluminescence (PL) and photoluminescence excitation (PLE). The PL peak energy was red-shifted with respect to the PLE onset and both energies were higher than the low temperature band-gap reported for InN. PL and PLE experiments for different excitation and detection energies indicated that the PL peaks were homogeneously broadened. This overall phenomenology has been attributed to the effects of an electron accumulation layer present atthe non-polar surfaces of the InN nanocolumns. Variations in the growth conditions modify the edge of the PLE spectra and the PL peak energies evidencing that the densit…

Computational volumetric reconstruction of integral imaging with improved depth resolution considering continuously non-uniform shifting pixels

2018

Abstract In this paper, we propose a new computational volumetric reconstruction technique of three-dimensional (3D) integral imaging for depth resolution enhancement by using non-uniform and integer-valued shifting pixels. In a typical integral imaging system, 3D images can be recorded and visualized using a lenslet array. In previous studies, many computational reconstruction techniques such as computational volumetric reconstruction and pixel of elemental images rearrangement technique (PERT) have been reported. However, a computational volumetric reconstruction technique has low visual quality and depth resolution because low-resolution elemental images and uniformly distributed shiftin…

Polarity conversion of GaN nanowires grown by plasma-assisted molecular beam epitaxy

2019

International audience; It is demonstrated that the N-polarity of GaN nanowires (NWs) spontaneously nucleated on Si (111) by molecular beam epitaxy can be reversed by intercalation of an Al-or Ga-oxynitride thin layer. The polarity change has been assessed by a combination of chemical etching, Kelvin probe force microscopy, cathodo-and photoluminescence spectroscopy and transmission electron microscopy experiments. Cathodoluminescence of the Ga-polar NW section exhibits a higher intensity in the band edge region, consistent with a reduced incorporation of chemical impurities. The polarity reversal method we propose opens the path to the integration of optimized metal-polar NW devices on any…

Luminescence of divalent lanthanide doped BaBrI single crystal under synchrotron radiation excitations

2020

Abstract Luminescence excitation spectra of BaBrI single crystals doped by divalent lanthanide ions are studied using synchrotron radiation excitations from the MAX IV 1.5 GeV storage ring. The energy of the edge and the formation of core cation exciton as well as the energy threshold of the multiplications of electronic excitations is found. It was clearly established the energy transfer from intrinsic luminescence centers to Sm2+ and Eu2+ ions.

New fine structures resolved at the ELNES Ti-L2,3 edge spectra of anatase and rutile: comparison between experiment and calculation.

2010

Abstract Anatase and rutile Ti- L 2,3 edge spectra were measured in electron energy loss spectroscopy (EELS) using a transmission electron microscope (TEM) coupled to a CEOS Cs-probe corrector, an omega-type monochromator and an in-column omega-type energy filter fully corrected for 2nd order aberrations. Thanks to the high energy resolution, high electron probe current and high stability achieved under this instrumental configuration, new fine structures, never reported before, were resolved at the L 3 band of both rutile and anatase. The data suggest that new peaks also exist in the L 2 e g band. The experimental spectra are compared with multichannel multiple scattering (MMS) calculation…

Exploring the transport properties of equatorially low coordinated erbium single ion magnets

2019

Single-molecule spin transport represents the lower limit of miniaturization of spintronic devices. These experiments, although extremely challenging, are key to understand the magneto-electronic properties of a molecule in a junction. In this context, theoretical screening of new magnetic molecules provides invaluable knowledge before carrying out sophisticated experiments. Herein, we investigate the transport properties of three equatorially low-coordinated erbium single ion magnets with C3v symmetry: Er[N(SiMe3⁠)2⁠]3⁠ (1), Er(btmsm)3⁠ (2) and Er(dbpc)3⁠ (3), where btmsm=bis(trimethylsilyl)methyl and dbpc=2,6-di-tert-butyl-p-cresolate. Our ligand field analysis, based on previous spectros…

Ab Initio Modeling of Y and O Solute Atom Interaction in Small Clusters within the bcc Iron Lattice

2018

This work has been carried out within the framework of the EUROfusion Consortium and has received funding from the Euroatom research and training programme 2014–2018 under grant agreement No 633053. The authors are indebted to A. Möslang and P. V. Vladimirov for stimulating discussions. The views and opinions expressed herein do not necessarily reflect those of the European Commission.

2020

Recent experiments have demonstrated the formation of free-standing Au monolayers by exposing the Au–Ag alloy to electron beam irradiation. Inspired by this discovery, we used semi-empirical effective medium theory simulations to investigate monolayer formation in 30 different binary metal alloys composed of late d-series metals such as Ni, Cu, Pd, Ag, Pt, and Au. In qualitative agreement with the experiment, we find that the beam energy required to dealloy Ag atoms from the Au–Ag alloy is smaller than the energy required to break the dealloyed Au monolayer. Our simulations suggest that a similar method could also be used to form Au monolayers from the Au–Cu alloy and Pt monolayers from Pt–…

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