Direct visualization of structural defects in 2D semiconductors

Direct visualization of the structural defects in two-dimensional (2D) semiconductors at a large scale plays a significant role in understanding their electrical/optical/magnetic properties, but is challenging. Although traditional atomic resolution imaging techniques, such as transmission electron microscopy and scanning tunneling microscopy, can directly image the structural defects, they provide only local-scale information and require complex setups. Here, we develop a simple, non-invasive wet etching method to directly visualize the structural defects in 2D semiconductors at a large scale, including both point defects and grain boundaries. Utilizing this method, we extract successfully the defects density in several different types of monolayer molybdenum disulfide samples, providing key insights into the device functions. Furthermore, the etching method we developed is anisotropic and tunable, opening up opportunities to obtain exotic edge states on demand.     

Stability,Structure and Reconstruction of 1H-Edges in MoS2

Density functional studies of the edges of single-layer 1H-MoS₂ are presented. This phase presents a rich variability of edges that can influence the morphology and properties of MoS₂ nano-objects, play an important role in industrial chemical processes, and find future applications in energy storage, electronics and spintronics. The so-called Mo-100 %S edges vertical S-dimers were confirmed to be stable, however the authors also identified a family of metastable edges combining Mo atoms linked by two-electron donor symmetrical disulfide ligands and four-electron donor unsymmetrical disulfide ligands. These may be entropically favored, potentially stabilizing them at high temperatures as a “liquid edge” phase. For Mo-50 %S edges, S-bridge structures with 3× periodicity along the edge are the most stable, compatible with a Peierls’ distortion arising from the d-bands of the edge Mo atoms. An additional explanation for this periodicity is proposed through the formation of 3-center bonds.     

Superorbital expansion tube tests of a caret waverider

A computational and experimental study was conducted to assess the potential of testing waverider configurations in a high-performance, short-duration expansion tube facility. The tests were performed in the newly commissioned X3 superorbital expansion tube and provide the first experimental data of a waverider tested at a stagnation enthalpy and equivalent flight speed exceeding 40 MJ/kg and 9 km/s, respectively. Two simple caret configurations were chosen as benchmark test cases to test the use of the facility, instrumentation and numerical models to investigate these flows. The general performance of the sharp and blunt leading edge waveriders at angles of attack ranging from 0° to 5° were analyzed and compared to CFD and theoretical predictions. For the conditions tested, the presence of a strong viscous interaction caused the shock wave to be detached from the leading edge of the models resulting in a significant loss in performance. An analytical model was developed to account for the strong coupling between the shock wave and boundary layer. Results were shown to be in very good agreement with CFD estimates for both configurations at all angles of attack considered. Finite-rate chemistry CFD simulations indicated that real gas effects other than the residual levels of nonequilibrium freestream dissociation present in the expansion tube flow were negligible for the conditions tested. The study also revealed that a past flow visualization technique gave a false indication of the leading edge shock location. An improved experimental visualization technique was successfully tested with results from these tests correlating well with computational estimates. This study successfully demonstrated the use of the facility to study waverider performance at speeds representative of orbital flight.      

薄壁箱梁广义坐标法刚度矩阵的推导及应用

在符拉索夫广义坐标法初参数方程的基础上,推导出可用于均布扭转荷载作用下薄壁箱梁翘曲分析的刚度矩阵,该刚度矩阵具有较高的单元精度,可用于由较多薄壁箱梁组成的复杂结构的整体有限元分析。通过对广义坐标法刚度矩阵和乌曼斯基理论、修正乌曼斯基理论求得薄壁箱梁的位移和应力进行分析比较,为各方法在实际工程中的应用提供一定的参考。     

Total Restrained Domination in Cubic Graphs

A set S of vertices in a graph G = (V, E) is a total restrained dominating set (TRDS) of G if every vertex of G is adjacent to a vertex in S and every vertex of V − S is adjacent to a vertex in V − S. The total restrained domination number of G, denoted by γ _tr (G), is the minimum cardinality of a TRDS of G. Let G be a cubic graph of order n. In this paper we establish an upper bound on γ _tr (G). If adding the restriction that G is claw-free, then we show that γ _tr (G) = γ _t (G) where γ _t (G) is the total domination number of G, and thus some results on total domination in claw-free cubic graphs are valid for total restrained domination. Research was partially supported by the NNSF of China (Nos. 60773078, 10832006), the ShuGuang Plan of Shanghai Education Development Foundation (No. 06SG42) and Shanghai Leading Academic Discipline Project (No. S30104).     

Cycle embedding in star graphs with more conditional faulty edges

The star graph is one of the most attractive interconnection networks. The cycle embedding problem is widely discussed in many networks, and edge fault tolerance is an important issue for networks since edge failures may occur when a network is put into use. In this paper, we investigate the cycle embedding problem in star graphs with conditional faulty edges. We show that there exist fault-free cycles of all even lengths from 6 to n! in any n-dimensional star graph S_n (n ? 4) with ?3n − 10 faulty edges in which each node is incident with at least two fault-free edges. Our result not only improves the previously best known result where the number of tolerable faulty edges is up to 2n − 7, but also extends the result that there exists a fault-free Hamiltonian cycle under the same condition.     

Reprint of : Measuring the Luttinger liquid parameter with shot noise

We explore the low-frequency noise of interacting electrons in a one-dimensional structure (quantum wire or interaction-coupled edge states) with counterpropagating modes, assuming a single channel in each direction. The system is driven out of equilibrium by a quantum point contact (QPC) with an applied voltage, which induces a double-step energy distribution of incoming electrons on one side of the device. A second QPC serves to explore the statistics of outgoing electrons. We show that measurement of a low-frequency noise in such a setup allows one to extract the Luttinger liquid constant K which is the key parameter characterizing an interacting 1D system. We evaluate the dependence of the zero-frequency noise on K and on parameters of both QPCs (transparencies and voltages).     

Mobility edges and reentrant localization in one-dimensional dimerized non-Hermitian quasiperiodic lattice

The mobility edges and reentrant localization transitions are studied in one-dimensional dimerized lattice with nonHermitian either uniform or staggered quasiperiodic potentials.We find that the non-Hermitian uniform quasiperiodic disorder can induce an intermediate phase where the extended states coexist with the localized ones,which implies that the system has mobility edges.The localization transition is accompanied by the PT symmetry breaking transition.While if the non-Hermitian quasiperiodic disorder is staggered,we demonstrate the existence of multiple intermediate phases and multiple reentrant localization transitions based on the finite size scaling analysis.Interestingly,some already localized states will become extended states and can also be localized again for certain non-Hermitian parameters.The reentrant localization transitions are associated with the intermediate phases hosting mobility edges.Besides,we also find that the non-Hermiticity can break the reentrant localization transition where only one intermediate phase survives.More detailed information about the mobility edges and reentrant localization transitions are presented by analyzing the eigenenergy spectrum,inverse participation ratio,and normalized participation ratio.     

A numerically stable restrained electrostatic potential charge fitting method

Inspired by the idea of charge decomposition in calculation of the dipole preserving and polarization consistent charges (Zhang et al., J. Comput. Chem. 2011, 32, 2127), we have proposed a numerically stable restrained electrostatic potential (ESP)‐based charge fitting method for protein. The atomic charge is composed of two parts. The dominant part is fixed to a predefined value (e.g., AMBER charge), and the residual part is to be determined by restrained fitting to residual ESP on grid points around the molecule. Nonuniform weighting factors as a function of the dominant charge are assigned to the atoms. Because the residual part is several folds to several orders smaller than the dominant part, the impact of ill‐conditioning is alleviated. This charge fitting method can be used in quantum mechanical/molecular mechanical (QM/MM) simulations and similar studies, where QM calculated electronic properties are frequently mapped to partial atomic charges. © 2012 Wiley Periodicals, Inc.