The properties and structures of the mono- and the di- vacancy in Cu crystal

The structures and energies of formation and migration of the mono- and di-vacancy in Cu crystal have been described and calculated with modified analytical embedded atom method (MAEAM). The lattice relaxation is considered with molecular dynamics (MD) method at T=0 K. The results show the FN di-vacancy is the most stable and likely occurs in practice from the energy minimization. Compared with the mono-vacancy, the formation energy of the FN di-vacancy is higher than that of a mono-vacancy, but lower than that of two isolated mono-vacancy. The preferred migration mechanism of the FN di-vacancy is multi-jump of either vacancy (rotating the di-vacancy). The calculated migration energy of the FN di-vacancy is lower than that of a mono-vacancy, so the FN di-vacancy is easier to migrate. All of the calculated results are in good agreement with the experimental values.     

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在常温常压下采用新型旋转电极等离子体反应器，对辉光等离子体作用下的甲烷偶联反应制C2烃进行了研究。结果表明，甲烷偶联反应的主要产物为C2H2，占C2烃的80%以上，能量效率在5.6%～11.2%之间；增加H2含量可以提高CH4转化率和C2烃收率；在500～2200kJ•mol−1的能量密度范围内，CH4转化率随能量密度的增大而线性增加，C2烃收率随着能量密度的增加呈峰形变化趋势。     

Bayesian Object Identification: Variants

We present a Bayesian theory of object identification. Here, identifying an object means selecting a particular observation from a group of observations (variants), this observation (the regular variant) being characterized by a distributional model. In this sense, object identification means assigning a given model to one of several observations. Often, it is the statistical model of the regular variant, only, that is known. We study an estimator which relies essentially on this model and not on the characteristics of the “irregular” variants. In particular, we investigate under what conditions this variant selector is optimal. It turns out that there is a close relationship with exchangeability and Markovian reversibility. We finally apply our theory to the case of irregular variants generated from the regular variant by a Gaussian linear model.     

Backlund transformation and variable separation solutions for the generalized Nozhnik—Novikov—Veselov equation

Using the extended homogeneous balance method, the B?cklund transformation for a (2+1)-dimensional integrable model, the generalized Nizhnik－Novikov－Veselov (GNNV) equation, is first obtained. Also, making use of the B?cklund transformation, the GNNV equation is changed into three equations: linear, bilinear and trilinear form equations. Starting from these three equations, a rather general variable separation solution of the model is constructed. The abundant localized coherent structures of the model can be induced by the entrance of two variable-separated arbitrary functions.     

Energy inconsistency of Galerkin approximationsfor plane Couette flow

For classical solutions of the incompressible Navier-Stokes equations (NSE) the energybalance between kinetic energy, work done by external forces, and viscous dissipation holds rigorously true. It is shown in this paper that standard Galerkin approximations violate energy balance in the case of plane Couette flow, whereas Poiseuille flow turns out to be energy consistent at any cutoff. The main reason for this discrepancy is seen in the different boundary conditions between the stationary linear shear flow and its disturbances. In our analysis, essentially, we introduce an auxiliary external force field which enforces the finite dimensional Galerkin approximation to fulfil the NSE. It is exemplarily demonstrated how the energy discrepancy decreases when the number of disturbed modes is increased which couple to the stationary shear flow.     

Evaluation of the drag force by integrating the energy dissipation rate in stokes flow for 2D domains using the FEM

The total drag force on the surface of a body, which is the sum of the form drag and the skin friction drag in a 2D domain, is numerically evaluated by integrating the energy dissipation rate in the whole domain for an incompressible Stokes fluid. The finite element method is used to calculate both the energy dissipation rate in the whole domain as well as the drag on the boundary of the body. The evaluation of the drag and the energy dissipation rate are post-processing operations which are carried out after the velocity field and the pressure field for the flow over a particular profile have been obtained. The results obtained for the flow over three different but constant area profiles—a circle, an ellipse and a cross-section of a prolate spheroid—with uniform inlet velocity are presented and it is shown that the total drag force times the velocity is equal to the total energy dissipation rate in the entire finite flow domain. Hence, by calculating the energy dissipation rate in the domain with unit velocity specified at the far-field boundary enclosing the domain, the drag force on the boundary of the body can be obtained.     

高剥离类镁等电子序列的磁偶极M1和电四极E2光谱跃迁理论研究

利用全相对论性多组态Dirac-Fock广义平均能级方法，系统地计算了类镁离子3s3p磁偶极Ml^3P2--^3P1和电四极E2 ^2P2--^3P0(Z=20-103)光谱跃迁的能级间隔、跃迁几率和振子强度。计算中考虑了原子核的有限体积效应，进行了高阶Breit修正和QED修正，所得到的能级间隔和最近的实验数据及理论计算值进行了比较。计算结果表明：高原子序数的高荷电离子的磁偶极矩M1和电四极矩E2跃迁几率和中性原子的电偶极E1的相当，在ICF和MCF高温激光等离子体中，磁偶极矩M1和电四极矩E2跃迁过程不容被忽视。     

CO（ a）+ NO（X）传能体系中的新传能通道

在相对碰撞平动能为 0 .0 5eV的分子束实验条件下 ,研究了亚稳态CO(a) +NO(X)的E E传能通道 .通过测量和分析交碰区的传能发射光谱 ,在 780和 860nm处观测到了NO(b -a)跃迁Ogawa带的△v =+ 4和△v =+ 3序的发射光谱 .从而首次在实验上直接证实了传能过程中第四通道的存在 (CO (a) +NO(X)→CO (X) +NO(b) ) .这一通道的发现解释了前人测量到的在CO(a)与NO(X)碰撞传能过程中CO(a)的猝灭速率远大于NO(A ,B)生成速率的实验结果 ,并进一步证实了这一“经典”E E传能体系为电子交换机理的传能观点     

HL－1装置辅助加热等对能量约束的影响

在ＨＬ－１托卡马克上进行了辅助加热、加料、电流驱动的物理实验研究。在改善等离子体约束方面，某些实验取得了较好的结果。在适当的稳定放电条件下，低杂波电流驱动和弹丸注入辅助加料，均能使等离子体能量约束得到一定程度的改善，与相同密度条件下的欧姆加热放电相比，能量约束时间提高了约３０％。在电子回旋共振加热等离子体实验中，等离子体总能量明显增加，但与相同密度条件下的欧姆加热放电相比，能量约束时间减少了约２０％。     

氟氧化物陶瓷的多谱线上转换发光

以氧化硅、氟化铅为基质制备了Er3 :Yb3 共掺杂氟氧化物陶瓷 ,X 射线分析表明陶瓷中存在着 β PbF2 晶相 ,沉积在其中的稀土离子由于具有很低的无辐射跃迁几率而显示出良好的上转换性能。Er3 ,Yb3 离子之间存在的多种能量传递通道 ,导致稀土离子十分丰富的上转换谱线的出现。