Athermal migration of vacancies in iron and copper induced by electron irradiation

Abstract

Irradiation with high-energy particles induces athermal migration of point defects, which affects defect reactions at low temperatures where thermal migration is negligible. We conducted molecular dynamics simulations of vacancy migration in iron and copper driven by recoil energies under electron irradiation in a high-voltage electron microscope. Minimum kinetic energy required for migration was about 0.8 and 1.0 eV in iron and copper at 20 K, which was slightly higher than the activation energy for vacancy migration. Around the minimum energy, the migration succeeded only when a first nearest neighbour (1NN) atom received the kinetic energy towards the vacancy. The migration was induced by higher kinetic energies even with larger deflection angles. Above several electron-volts and a few 10s of electron-volts, vacancies migrated directly to 2NN and 3NN sites, respectively. Vacancy migration had complicated directional dependence at higher kinetic energies through multiple collisions and replacement of atoms. The probability of vacancy migration increased with the kinetic energy and remained around 0.3–0.5 jumps per recoil event for 20–100 eV. At higher temperatures, thermal energies slightly increased the probability for kinetic energies less than 1.5 eV. The cross section of vacancy migration was 3040 and 2940 barns for 1NN atoms in iron and copper under irradiation with 1.25 MV electrons at 20 K: the previous result was overestimated by about five times.     

Adsorption structure and work function of dicarboxylic acid on Cu(1 1 0) surface

We investigated the relation between work function and the adsorption structure of dicarboxylic acids (organic molecules) such as succinic acid (HOOC-CH₂-CH₂-COOH) and an adipic acid (HOOC-(CH₂)₄-COOH) on a Cu(1 1 0) surface (electrode) as a function of the surface temperature using a Kelvin probe (KP). The work function changes of the two acids are similar. The work function increases by adsorption at room temperature due to ionization of molecules and then decreases with increasing temperature until 450 K due to the effects of change in the dipole moment of the conformational change of the molecule. From 450 to 600 K, the work function is constant because of competition between desorption and change in the dipole moment of molecules. It then reached the clean-surface value. Experiments clarified that the work function was affected by the adsorbed difference in conformation of molecules.     

New opportunities offered by compact sub‐nanosecond supercontinuum sources in ultra‐broadband multiplex CARS microspectroscopy

We report, to the best of our knowledge, the first turn‐key and compact dual‐output sub‐nanosecond supercontinuum source applicable to ultrabroadband multiplex coherent anti‐Stokes Raman scattering microspectroscopy of biological samples. The light source design and the microspectroscopy setup are described in details. Easy multicolour imaging of Caenorhabditis elegans nematode is operated successfully and discussed. Copyright © 2011 John Wiley & Sons, Ltd.     

Thermal stability of the PBAT biofilms with cellulose nanostructures/essential oils for active packaging

The primary objective of this study is to evaluate the thermal stability of the active films with the cellulose nanostructure (CNS, 5?mass%) treated with encapsulated essential oils (EOs), eugenol and linalool. CNS untreated and treated were incorporated in the poly(butylene adipate-co-terephthalate) (PBAT) polymer matrix prepared by casting. In this study, all samples were characterized by FTIR, DRX, TG, DSC and SEM, elucidating the contribution of each component in the final films. CNS untreated and treated with EOs were characterized by Fourier transform infrared spectroscopy and thermogravimetric analysis (TGA), confirming the interaction between these components. The active biofilms were analyzed by TGA and DSC analyses (differential scanning calorimetry), confirming that their thermal stability was maintained similar to the neat PBAT film, without loss of properties. The CI (crystallinity index, %) of the polymeric films was calculated from heat fusion (ΔH) values, indicating that the incorporation of the nanostructures into the PBAT matrix increases the crystallinity of the biofilms, from 11.5 (neat PBAT) to 13.8% (PBAT/CNS-E), acting as a nucleating agent in the polymeric matrix. The presence of the EOs did not decrease the CNS stability, as well of the biocomposite films. Moreover, the thermal analysis confirmed that the EO was well involved by the CNS, before and after the incorporation in the PBAT polymer, as observed in the SEM images.

     

Search for Rare Decays of the Observed Higgs Boson and Additional Higgs Bosons with the ATLAS Detector

Physics of Atomic Nuclei - Searches for rare decays of the Standard Model Higgs boson and additional Higgs bosons are performed by the ATLAS experiment at the LHC. They use the unprecedented amount...     

Design and synthesis of a biphenyl-based chiral amino sulfonamide with high catalytic performance in Mannich reactions

A biphenyl-based amino sulfonamide was designed to improve the intrinsic low catalytic activity of amine organocatalysts. The newly synthesized amino sulfonamide catalyst promoted the Mannich reaction in a highly enantioselective fashion and a remarkable catalyst turnover number was achieved.     

Isotope exchange between iron(II or III) hydroxide and HTO water in the equilibrium state

Observing the OT-for-OH exchange reaction between iron(II or III) hydroxide and tritiated water (HTO) leads to the following results: (1) isotope exchange as atomic group occurred between the OH group in each iron hydroxide (i.e., Fe(OH)₂ or Fe(OH)₃) and OT^– resulted from the dissociation of HTO; (2) the ratio of the reactivity of the hydroxides is roughly [iron(III) hydroxide]: [iron(II) hydroxide]=1.21.0 and the result is related to a difference in electronegativity between Fe²⁺ and Fe³⁺. (In other words, if the reactivity depends on the number of the charge, the ratio should be 1.51.0).     

Design of chiral bifunctional secondary amine catalysts for asymmetric enamine catalysis

A series of binaphthyl-based secondary amine catalysts containing various functional groups have been designed as new chiral bifunctional amine catalysts. These chiral organocatalysts have been successfully applied to several asymmetric reactions via enamine intermediates and exhibit unique reactivity and selectivity in comparison with proline and its derivatives.     

anti-Selective direct asymmetric Mannich reactions catalyzed by chiral pyrrolidine-based amino sulfonamides

The novel pyrrolidine-based amino sulfonamides (R,R)-2, (S)-3, and (S)-4 were designed and synthesized as organocatalysts and successfully applied for the anti-selective direct asymmetric Mannich reaction.     

Monochromatic and Heterochromatic Subgraphs in Edge-Colored Graphs - A Survey

Nowadays the term monochromatic and heterochromatic (or rainbow, multicolored) subgraphs of an edge-colored graph appeared frequently in literature, and many results on this topic have been obtained. In this paper, we survey results on this subject. We classify the results into the following categories: vertex-partitions by monochromatic subgraphs, such as cycles, paths, trees; vertex partition by some kinds of heterochromatic subgraphs; the computational complexity of these partition problems; some kinds of large monochromatic and heterochromatic subgraphs. We have to point out that there are a lot of results on Ramsey type problem of monochromatic and heterochromatic subgraphs. However, it is not our purpose to include them in this survey because this is slightly different from our topics and also contains too large amount of results to deal with together. There are also some interesting results on vertex-colored graphs, but we do not include them, either. Supported by NSFC, PCSIRT and the “973” program.