间二甲苯的离解光电离的实验与理论研究

本文利用同步辐射真空紫外和超声分子束反射式飞行时间质谱系统研究间二甲苯的光电离和离解光电离.通过测定母体离子C_(8)H_(10)^(+)和主要碎片离子(C_(8)H_(9)^(+)和C_(7)H_(7)^(+))的光电离效率谱,确定了母体分子的电离能和主要碎片离子(C_(8)H_(8)^(+)和C_(7)H_(7)^(+))的出现势分别为8.60±0.03 eV,11.76±0.04 eV和11.85±0.05 eV eV.在B3LYP/6-311++G(d,p)水平上优化了两个主要解离通道的反应物、过渡态、中间体和产物的结构,并在G3水平上计算了它们的能量,以及两个主要的离解光电离通道产物C_(7)H_(7)^(+)+CH_(3)和C_(8)H_(9)^(+)+H的能量.结合理论和实验结果,间二甲苯的离解光电离机理主要过程是C-H键或C-C键的离解和氢迁移.

Detection and classification of breast lesions using multiple information on contrast-enhanced mammography by a multiprocess deep-learning system: A multicenter study

Objective: Accurate detection and classification of breast lesions in early stage is crucial to timely formulate effective treatments for patients. We aim to develop a fully automatic system to detect and classify breast lesions using multiple contrast-enhanced mammography(CEM) images.Methods: In this study, a total of 1,903 females who underwent CEM examination from three hospitals were enrolled as the training set, internal testing set, pooled external testing set and prospective testing set. Here we developed a CEM-based multiprocess detection and classification system(MDCS) to perform the task of detection and classification of breast lesions. In this system, we introduced an innovative auxiliary feature fusion(AFF)algorithm that could intelligently incorporates multiple types of information from CEM images. The average freeresponse receiver operating characteristic score(AFROC-Score) was presented to validate system’s detection performance, and the performance of classification was evaluated by area under the receiver operating characteristic curve(AUC). Furthermore, we assessed the diagnostic value of MDCS through visual analysis of disputed cases,comparing its performance and efficiency with that of radiologists and exploring whether it could augment radiologists’ performance.Results: On the pooled external and prospective testing sets, MDCS always maintained a high standalone performance, with AFROC-Scores of 0.953 and 0.963 for detection task, and AUCs for classification were 0.909[95% confidence interval(95% CI): 0.822-0.996] and 0.912(95% CI: 0.840-0.985), respectively. It also achieved higher sensitivity than all senior radiologists and higher specificity than all junior radiologists on pooled external and prospective testing sets. Moreover, MDCS performed superior diagnostic efficiency with an average reading time of 5 seconds, compared to the radiologists’ average reading time of 3.2 min. The average performance of all radiologists was also improved to varying degrees with MDCS assistance.Conclusions: MDCS demonstrated excellent performance in the detection and classification of breast lesions,and greatly enhanced the overall performance of radiologists.

Effects of sawtooth heat pulses on edge flows and turbulence in a tokamak plasma

Enhancements of edge zonal flows,radial electric fields,and turbulence are observed in electron cyclotron resonance heating-heated plasmas(Zhao et al 2013 Nucl.Fusion 53083011).In this paper,the effects of sawtooth heat pulses on flows and turbulence are presented.These experiments are performed using multiple Langmuir probe arrays in the edge plasmas of the HL-2A tokamak.The edge zonal flows,radial electric fields,and turbulence are all enhanced by sawteeth.Propagation of the zonal flow and turbulence intensities is also observed.The delay time of the maximal intensity of the electric fields,zonal flows,and turbulence with respect to the sawtooth crashes is estimated as~1 ms and comparable to that of the sawtooth-triggered intermediate phases.Not only the zonal flows but also the radial electric fields lag behind the turbulence.Furthermore,the intensities of both the zonal flows and electric fields nearly linearly increase/decrease with the increase/decrease of the turbulence intensity.A double-source predator-prey model analysis suggests that a relatively strong turbulence source may contribute to the dominant zonal flow formation during sawtooth cycles.

Valley-polarized quantum anomalous Hall effect in van der Waals heterostructures based on monolayer jacutingaite family materials

We numerically study the general valley polarization and anomalous Hall effect in van der Waals(vdW)heterostructures based on monolayer jacutingaite family materials Pt2AX3(A=Hg,Cd,Zn;X=S,Se,Te).We perform a systematic study on the atomic,electronic,and topological properties of vdW heterostructures composed of monolayer Pt2AX3 and two-dimensional ferromagnetic insulators.We show that four kinds of vdW heterostructures exhibit valley-polarized quantum anomalous Hall phase,i.e.,Pt_(2)HgS_(3)/NiBr_(2),Pt_(2)HgSe_(3)/CoBr_(2),Pt_(2)HgSe_(3)/NiBr_(2),and Pt_(2)ZnS_(3)/CoBr_(2),with a maximum valley splitting of 134.2 meV in Pt_(2)HgSe_(3)/NiBr_(2) and sizable global band gap of 58.8 meV in Pt_(2)HgS_(3)/NiBr_(2).Our findings demonstrate an ideal platform to implement applications on topological valleytronics.