The effect of hydrogen on the recombination of Frenkel pair in tungsten: A theoretical insight

<正>Tungsten (W), with its primary advantages, is considered as the most promising candidate for plasma facing materials (PFMs) for the next generation of fusion devices such as ITER. However, continuous bombardment with 14.1 MeV neutron introduces Frenkel defects as the primary damage in W [1]. The Frenkel defects, composed of self-interstitial atoms (SIAs) and vacancies, can develop to extended defects such as voids and interstitial clusters, resulting in hardening, swelling and embrittlement of W, thus degrading the properties of W [2]. The recombination of SIAs and vacancies is an effective way to reduce the Frenkel defects in bulk W, which enhances the radiation resistance of W based on recent theoretical calculations [3,4]. The moving of the SIA to the vacancy could finish the recombination process through instantaneous or thermally activated way [3]. The instantaneous recombination region is an ellipse with the semi-minor axis of 5.4 ? and semi-major axis of 18 ? according to the molecular dynamics calculation [4].     

Observation of the novel “three-pointed star” cage-like (H2O)5 cluster in a polymeric solid {[Ag2(bpp)2(H2O)2](chd)·9H2O} n

Coordination polymeric solid, {[Ag₂(bpp)₂(H₂O)₂](chd)·9H₂O} _n (1) (bpp = 1,3-bis(4-pyridyl) propane, H₂chd = 1,4-cyclo-hexanedicarboxylic acid), has been obtained by the solution phase ultrasonic synthesis techniques. The structure established through X-ray structural analysis shows that the compound traps an interesting 1D water tape built by the alternating ??three-pointed star?? cage-like pentameric and D _2h tetrameric clusters (C2/c, Z = 4; a = 30.37(2) ?, b = 9.271(5) ?, and c = 18.89(1) ?; ?? = 128.47°; V = 4164(4) ?³). The novelty of the present complex is the rarely crystallographic example of the cage-shaped water pentamer, which is usually ascribed to a less-stable species. A first-principle density functional theory (DFT) calculation demonstrates that the interconnectivity between cage-like pentamers and D _2h tetramers is beneficial for contribution to the structural stabilization of these less-stable water cluster species.     

A fast onboard star-extraction algorithm optimized for the SVOM Visible Telescope

The Space multi-band Variable Object Monitor (SVOM) is a proposed Chinese astronomical satellite, dedicated to the detection, localization and measurement of gamma-ray bursts (GRBs) on a cosmological scale. An efficient algorithm is developed for the purpose of onboard star extraction from the CCD images obtained with the Visible Telescope (VT) onboard the SVOM. The CCD pixel coordinates of the reference stars will be used to refine the astronomical position of the satellite, which will facilitate triggering rapid ground-based follow-up observations of the GRBs. In this algorithm, the image is divided into a number of grid cells and the “global” pixel-value maximum within each cell is taken as the first-guess position of a “bright” star. The correct center position of a star is then computed using a simple iterative method. Applying two additional strategies, i.e., scanning the image only by even (or odd) lines or in a black-white chess board mode, we propose to further reduce the time to extract the stars. To examine the efficiency of the above algorithms, we applied them to the experimental images obtained with a ground-based telescope. We find that the accuracy of the astronomical positioning achieved by our method is comparable to that derived by using the conventional star-extraction method, while the former needs about 25 times less CPU time than the latter. This will significantly improve the performance of the SVOM VT mission.     

Sodium dodecyl sulfate sensitized electrochemical method for subnanomole level determination of ortho-phenylphenol at a novel disposable electrode

The electrochemical behavior of ortho-phenylphenol(OPP) at a disposable electrode(an improved wax-impregnated graphite electrode) in the presence of sodium dodecyl sulfate(SDS) was studied for the first time.The results demonstrated that the electrocatalytic oxidation process of OPP was accompanied with two-charge-two-proton transference.The electronic transmission coefficient(α) and diffusion coefficient(DR) for OPP were calculated to be 0.8126 and 3.61 × 10-2 cm2/s,respectively.The electrochemical signal ...     

Simplification and normalization of indexed differentials involving coordinate transformation

In nD differential geometry, basic geometric structures and properties are described locally by differentiable functions and equations with indices that obey Einstein summation convention. Although symbolic manipulation of such indexed functions is one of the oldest research topics in computer algebra, so far there exists no normal form reduction algorithm to judge whether two indexed polynomials involving indices of different coordinate systems are equal or not. It is a challenging task in computer algebra...     

固态配位聚合物{[Ag2（bpp）2（H2O）2]（chd）.9H2O}n中之新颖“三叉星”笼状（H2O）5水簇的发现

固态配位聚合物{[Ag2（bpp）2（H2O）2]（chd）.9H2O}n（1）（bpp=1,3-二（4-吡啶基）丙烷、H2chd=1,4-环己烷二羧酸）是通过溶液相超声波合成技术获得的,建立在X射线结构分析技术基础上的结构（单斜晶系C2/c空间群,Z=4;晶胞参数a=30.37（2）？,b=9.271（5）？,c=18.89（1）？;β=128.47o;V=4164（4）？3）展现出该化合物捕捉了一条有趣的、由＂三叉星＂笼状五聚体及D2h构型四聚体水簇交替构成的一维水带,该化合物之所以新奇在于其代表了被认为是不太稳定的笼状水五聚体团簇的晶体学范例.第一性原理的密度涵理论（DFT）计算表明,笼状五聚体及D2h构型四聚体水簇的相互连接对于此类欠稳定水簇的稳定性是有益的.     

Stability and diffusion properties of self-interstitial atoms in tungsten:a first-principles investigation

Employing a first-principles method based on the density function theory,we systematically investigate the structures,stability and diffusion of self-interstitial atoms(SIAs) in tungsten(W).The <111> dumbbell is shown to be the most stable SIA defect configuration with the formation energy of ~9.43 eV.The on-site rotation modes can be described by a quite soft floating mechanism and a down-hill "drift" diffusion process from <110> dumbbell to <111> dumbbell and from <001> dumbbell to <110> dumbbell,respectively.Among different SIA configurations jumping to near neighboring site,the <111> dumbbell is more preferable to migrate directly to first-nearest-neighboring site with a much lower energy barrier of 0.004 eV.These results provide a useful reference for W as a candidate plasma facing material in fusion Tokamak.     

A study on the sharp knee and fine structures of cosmic ray spectra

The paper investigates the overall and detailed features of cosmic ray(CR) spectra in the knee region using the scenario of nuclei-photon interactions around the acceleration sources.Young supernova remnants can be the physical realities of such kind of CR acceleration sites.The results show that the model can well explain the following problems simultaneously with one set of source parameters:the knee of CR spectra and the sharpness of the knee,the detailed irregular structures of CR spectra,the so-calledc...     

Complex brackets and balanced complex 1st-order difference polynomials in 4-dimensional Minkowski space

This paper investigates complex brackets and balanced complex 1st-order di?erence (BCD) polynomials. Then we propose an algorithm of O(n log n) complexity to check the equality of brackets. It substitutes exponential algorithms before. Also, BCD polynomials have some usages in geometric calculation.     

一类Riemann张量指标表达式的标准型完全分类及其在微分几何中的应用

本文研究了n维微分几何中Riemann张量指标表达式的标准型完全分类问题, 通过引入指标结构图的概念, 证明了规范类型单项式都是标准型, 并且构成次数不大于5 的Sakai类型单项式的正交基底, 由此得到Sakai类型单项式的标准型完全分类, 这是次数大于3时标准型完全分类问题的第一个结果. 同时给出了相应标准化算法, 通过比较说明了该算法比现有算法更加简便, 最后应用于自动推导和证明微分几何中关于Riemann张量的一些公式.