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1.
Prof. Dr. Peter Hess 《Chemphyschem》2022,23(6):e202100880
In the periodic table the position of each atom follows the ‘aufbau’ principle of the individual electron shells. The resulting intrinsic periodicity of atomic properties determines the overall behavior of atoms in two-dimensional (2D) bonding and structure formation. Insight into the type and strength of bonding is the key in the discovery of innovative 2D materials. The primary features of 2D bonding and the ensuing monolayer structures of the main-group II–VI elements result from the number of valence electrons and the change of atom size, which determine the type of hybridization. The results reveal the tight connection between strength of bonding and bond length in 2D networks. The predictive power of the periodic table reveals general rules of bonding, the bonding-structure relationship, and allows an assessment of published data of 2D materials. 相似文献
2.
An approach of dynamic mesh adaptation for simulating 3‐dimensional unsteady moving‐immersed‐boundary flows
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In this paper, we present an approach of dynamic mesh adaptation for simulating complex 3‐dimensional incompressible moving‐boundary flows by immersed boundary methods. Tetrahedral meshes are adapted by a hierarchical refining/coarsening algorithm. Regular refinement is accomplished by dividing 1 tetrahedron into 8 subcells, and irregular refinement is only for eliminating the hanging points. Merging the 8 subcells obtained by regular refinement, the mesh is coarsened. With hierarchical refining/coarsening, mesh adaptivity can be achieved by adjusting the mesh only 1 time for each adaptation period. The level difference between 2 neighboring cells never exceeds 1, and the geometrical quality of mesh does not degrade as the level of adaptive mesh increases. A predictor‐corrector scheme is introduced to eliminate the phase lag between adapted mesh and unsteady solution. The error caused by each solution transferring from the old mesh to the new adapted one is small because most of the nodes on the 2 meshes are coincident. An immersed boundary method named local domain‐free discretization is employed to solve the flow equations. Several numerical experiments have been conducted for 3‐dimensional incompressible moving‐boundary flows. By using the present approach, the number of mesh nodes is reduced greatly while the accuracy of solution can be preserved. 相似文献
3.
如何在复杂背景下持续有效地检测目标位置,一直是研究者们需要面对的主要挑战。本文在研究红外点状移动目标特征的基础上,根据目标无纹理,无形状的特性,提出一种改进的形态学目标增强算法,并利用目标连续时空不变性检测目标。首先,建立多尺度的图像金字塔,在每层上采用改进的形态学算法快速、粗糙定位小目标。然后进一步的根据目标在时空上的位置相关性,提出基于目标运动特征分析的精确检测方法。得到精确稳定的检测结果。最后实验结果表明与经典的形态学检测算法及其他算法相比,该技术能更有效地检测弱小目标,具有更高的鲁棒性。 相似文献
4.
In this paper, we investigate the evolution of joint invariants under invariant geometric flows using the theory of equivariant moving frames and the induced invariant discrete variational complex. For certain arc length preserving planar curve flows invariant under the special Euclidean group , the special linear group , and the semidirect group , we find that the induced evolution of the discrete curvature satisfies the differential‐difference mKdV, KdV, and Burgers' equations, respectively. These three equations are completely integrable, and we show that a recursion operator can be constructed by precomposing the characteristic operator of the curvature by a certain invariant difference operator. Finally, we derive the constraint for the integrability of the discrete curvature evolution to lift to the evolution of the discrete curve itself. 相似文献
5.
基于粗糙集信息观的决策表属性约简方法 总被引:2,自引:0,他引:2
粗糙集理论是近年来发展起来的一种有效的处理不精确、不确定、含糊信息的数学理论方法,它被广泛应用于相容和不相容决策表的属性约简和核属性计算。利用反例指出目前基于粗糙集信息观[2、6]的决策表属性约简和核属性计算方法的局限性。对决策表的性质作了深入的研究,研究发现文献[2、6]方法的不足原因是:它们没有考虑U/ind(C)中等价类的相客性。给出了基于U/ind(C)中等价类相客性的属性约简定义和核属性定义,并给出了一种新的基于粗糙集信息观的决策表属性约简和核属性计算方法。讨论了该方法同文献[2、6]方法的区别。最后用相同实例验证了该方法的有效性。 相似文献
6.
Let {Xk}k?1 be a strictly stationary time series. For a strictly increasing sampling function g:?→? define Yk=Xg(k) as the deterministic sub‐sampled time series. In this paper, the extreme value theory of {Yk} is studied when Xk has representation as a moving average driven by heavy‐tailed innovations. Under mild conditions, convergence results for a sequence of point processes based on {Yk} are proved and extremal properties of the deterministic sub‐sampled time series are derived. In particular, we obtain the limiting distribution of the maximum and the corresponding extremal index. Copyright © 2003 John Wiley & Sons, Ltd. 相似文献
7.
A one-dimensional bulk reaction model for the oxidation of nickeltitanium is formulated, with preferential oxidation of titaniumbeing included. The modelling is directed at the better understandingof the dominant mechanisms involved in the oxidation processand their significance for the biocompatibility of the alloy.Two different regimes for the relative diffusivities of oxygenand the metals are investigated. By assuming fast bulk reactions,different asymptotic structures emerge in different parameterregimes and the resulting models take the form of moving boundaryproblems. Different profiles of nickel concentration are obtained:in particular a nickel-rich layer (observed in practice) ispresent below the oxide/metal interface for the case when oxygenand the metals diffuse at comparable rates. 相似文献
8.
Settling of a large solid particle in bioconvection flow caused by gyrotactic microorganisms is investigated. The particle is released from the top of the bioconvection chamber; its settling pattern depends on whether it is released in the centre of the bioconvection plume or at its periphery. The Chimera method is utilized; a subgrid is generated around a moving particle. The method suggested by Liu and Wang (Comput. Fluid 2004; 33 :223–255) is further developed to account for the presence of a moving boundary in the streamfunction‐vorticity formulation using the finite‐difference method. A number of cases for different release positions of the particle are computed. It is demonstrated that bioconvection can either accelerate or decelerate settling of the particle depending on the initial position of the particle relative to the plume centre. It is also shown that the particle impacts bioconvection plume by changing its shape and location in the chamber. Copyright © 2005 John Wiley & Sons, Ltd. 相似文献
9.
Johan Revstedt 《国际流体数值方法杂志》2004,45(7):775-795
The flow around spherical, solid objects is considered. The boundary conditions on the solid boundaries have been applied by replacing the boundary with a surface force distribution on the surface, such that the required boundary conditions are satisfied. The velocity on the boundary is determined by extrapolation from the flow field. The source terms are determined iteratively, as part of the solution. They are then averaged and are smoothed out to nearby computational grid points. A multi‐grid scheme has been used to enhance the computational efficiency of the solution of the force equations. The method has been evaluated for flow around both moving and stationary spherical objects at very low and intermediate Reynolds numbers. The results shows a second order accuracy of the method both at creeping flow and at Re=100. The multi‐grid scheme is shown to enhance the convergence rate up to a factor 10 as compared to single grid approach. Copyright © 2004 John Wiley & Sons, Ltd. 相似文献
10.
Houman Borouchaki Abdelhakim Cherouat Patrick Laug Khemais Saanouni 《Comptes Rendus Mecanique》2002,330(10):709-716
The analysis of mechanical structures using the Finite Element Method in the framework of large elastoplastic strain, needs frequent remeshing of the deformed domain during computation. Indeed, the remeshing is due to the large geometrical distortion of finite elements and the adaptation to the physical behavior of the solution. This paper gives the necessary steps to remesh a mechanical structure during large elastoplastic deformations with damage. An important part of this process is constituted by geometrical and physical error estimates. The proposed method is integrated in a computational environment using the ABAQUS/Explicit solver and the BL2D-V2 adaptive mesher. To cite this article: H. Borouchaki et al., C. R. Mecanique 330 (2002) 709–716. 相似文献