Dislocation energy and calculation from Peierls stress： a rigorous the lattice theory

In the classical Peierls--Nabarro (P-N) theory of dislocation, there is a long-standing contradiction that the stable configuration of dislocation has maximum energy rather than minimum energy. In this paper, the dislocation energy is calculated rigorously in the context of the full lattice theory. It is found that besides the misfit energy considered in the classical P-N theory, there is an extra elastic strain energy that is also associated with the discreteness of lattice. The contradiction can be automatically removed provided that the elastic strain energy associated with the discreteness is taken into account. This elastic strain energy is very important because its magnitude is larger than the misfit energy, its sign is opposite to the misfit energy. Since the elastic strain energy and misfit energy associated with discreteness cancel each other, and the width of dislocation becomes wide in the lattice theory, the Peierls energy, which measures the height of the effective potential barrier, becomes much smaller than that given in the classical P-N theory. The results calculated here agree with experimental data. Furthermore, based on the results obtained, a useful formula of the Peierls stress is proposed to fully include the discreteness effects.     

辐照电子在光纤芯处能量沉积的计算

为了用尽可能低的辐照电子能量在光纤芯处形成大的性质改变,模拟了0.1～1 MeV能量的电子辐照二氧化硅.发现每一特定能量的电子辐照二氧化硅时,在其中有个能量沉积最快的位置.计算得到0.447 4 MeV能量的电子在单模光纤中心能量沉积最快,分析发现对于这个能量的电子多数可以穿透到光纤芯处,电子能量在光纤芯处的沉积主要是由于电子能量的减小造成的.这些结果可为用电子辐照光纤制作光器件时的初始电子能量选择提供参考.     

强耦合半无限极性晶体中磁极化子的激发能量

采用线性组合算符和幺正变换,利用变分法计算了多原子半无限极性晶体中由电子和光学声子强耦合相互作用所产生的磁极化子的第一激发能量及平均声子数,并通过适当的数值计算图示了它们与磁场的关系。结果表明:在不同的磁场条件下,电子无限接近晶体表面和电子处于晶体深处时,磁极化子的第一激发能量和平均声子数都有所不同。     

质子与羟基碰撞的含时密度泛函理论研究

采用将含时密度泛函理论和分子动力学非绝热耦合的方法,研究了不同入射速度下质子与羟基碰撞的反应动力学.计算了碰撞前后质子动能和羟基动能的变化及羟基电子和质子的运动.计算结果表明,质子沿垂直羟基分子轴方向入射时,质子与羟基碰撞后,质子被反弹且动能损失并俘获了羟基中氧的一部分电子,而丢失部分电子的羟基则获得动能以伸缩振动的形式向计算边界平动.随着入射质子的初动能增加,质子从羟基中俘获的电子增多,碰撞后羟基的键长变长,羟基振动变强而伸缩振动频率降低.此外,还发现质子的入射方向对碰撞过程的激发动力学有很大的影响.质子从不同的方向入射时,质子的入射初动能越大,其损失的动能越多且损失的动能与入射初动能呈线性关系,而入射方向对质子动能损失的影响很小.在质子入射初动能较低(小于25 eV)的情况下,羟基获得的动能与质子入射初动能呈线性关系且与入射方向无关;在质子入射初动能较高(大于25 eV)时,当质子沿羟基分子轴方向入射时,羟基动能的增量远大于质子沿垂直于羟基分子轴方向入射时羟基动能的增量.     

Volume absorption laser energy meter for high energy laser by water absorption

Since the energy density of high energy laser can be extremely high and destructive, it is difficult to directly measure the laser energy with custom methods. A volume absorption method directly using water as absorption substance is introduced. In the energy meter, water is pumped into an absorption cavity sealed by a quartz window, and energy increment of water by laser is calculated. The new energy meter has excellent power and energy linearity and is almost not affected by power, energy and flow, its relative deviation to norm middle-power energy meter is 1.9 %, which infers that the new energy meter can measure higher laser energy and maintain higher precision as well.     

一种二进制降能器设计方法

为提升在中国原子能科学研究院的100 MeV质子回旋加速器上进行多能点质子单粒子效应实验的效率,针对该加速器提供的100 MeV质子设计了一种二进制降能器.降能器包括6片铝降能片,厚度分别为0.5,1,2,4,8,16,32 mm,即后一片厚度均为前一片的2倍.提出相对厚度的概念,此概念也可用来表示产生的质子能点的次序以及降能器的状态或操作.降能器产生的9.69 MeV以上的61个质子能点间隔在0.84—4.09 MeV之间,且能量岐离均在10%以下,散射角半高宽均在45 mrad以下,基本可满足质子单粒子效应实验的要求.对加速器直接提供的质子的能量精度对降能器产生的质子能点的影响进行分析,发现经降能器产生的质子能量越低,其影响也就越大.此外,降能器对加速器直接能够提供的70—100 MeV能区的质子也是适用的,且可通过增加降能片数量的方式来获得更加连续化的质子能点.本文提出的降能器设计方法简单有效,具有较强的借鉴价值.     

Dynamics of plasma blobs in a shear flow

The global dynamic of plasma blobs in a shear flow is investigated in a simple magnetized torus using the spatial Fourier harmonics (k-space) framework. Direct experimental evidence of a linear drift in k space of the density fluctuation energy synchronized with blob events is presented. During this drift, an increase of the fluctuation energy and a production of the kinetic energy associated with blobs are observed. The energy source of the blob is analyzed using an advection-dissipation-type equation that includes blob-flow exchange energy, linear drift in k space, nonlinear processes, and viscous dissipations. We show that blobs tap their energy from the dominant ExB vertical background flow during the linear drift stage. The exchange of energy is unidirectional as there is no evidence that blobs return energy to the flow.     

Modeling of residual thermal effect in femtosecond laser ablation of metals: role of a gas environment

To describe the effect of significant enhancement in thermal energy retained in metal targets following femtosecond laser ablation in a gas environment, we develop a combined model based on both 2D thermal modeling of laser-induced target heating and dynamics of the ambient gas perturbed by multiphoton absorption of laser energy in close proximity to the target. Using our model, we find that thermal energy coupling to the sample is significantly enhanced due to laser-induced gas-dynamic motion in plasma. Another finding is that total thermal energy coupled to the sample due to gas-dynamic energy transfer and thermal energy conduction is close to that measured in our experiment.     

On Chu's disturbance energy

Chu [On the energy transfer to small disturbances in fluid flow (part I), Acta Mechanica 1 (1965) 215-234] proposed a positive definite energy norm for characterizing the level of fluctuation in a disturbance. In the absence of heat transfer at the boundaries, work done by boundary or body forces, heat and material sources of energy, this norm is a monotone, non-increasing function of time. In this paper, we show that Chu's disturbance energy defines an inner product, with respect to which the conservation equations of fluid motion linearized about a uniform base flow are self-adjoint. This ensures that the eigenvectors of the linearized operator are orthogonal to each other, and the property that the energy norm is a non-increasing function of time in the absence of physical sources of energy follows as an immediate consequence. Examples from numerical simulations of Euler equations are presented to highlight the importance of choosing an energy norm that is consistent with the underlying physics. We demonstrate that the disturbance energy as measured by Chu's norm does not exhibit spurious transient growth in the absence of physical sources of energy and hence is suitable for analyzing thermoacoustic instability.     

Energy dissipation prediction in a line of colliding oscillators

In this paper the impact of a line of adjacent structures, or oscillators, is studied using an energy formulation. The energy exchange and dissipation from a collision of a pair of oscillators is studied by creating an equivalent oscillator pair, one has the energy of the in-phase motion and the other has the out-of-phase energy. It is found that the energy exchange between colliding oscillators is proportional to the initial kinetic energy difference of the oscillators and that work in the collision is proportional to the out-of-phase energy or difference energy. The kinetic energy at contact is then related to the mean oscillator energy, permitting a power balance equation to be written for each oscillator in line. The power balance equations have three independent variables for each pair of oscillators: the oscillator time averaged energies and the phase difference. This equation is run in a time-stepping procedure, with steps at the mean collision rate. The work in the collisions and internal oscillator dissipation is output as a function of time. A parameter study is conducted to see how the work changes with oscillator: separation, contact stiffness and contact damping.     

Application of the energy balance method to nonlinear vibrating equations

In this paper, He’s energy balance method is applied to nonlinear vibrations and oscillations. The method is applied to four nonlinear differential equations. It has indicated that by utilizing He’s energy balance method (HEBM), just one iteration leads us to high accuracy of solutions. It has illustrated that the energy balance methodology is very effective and convenient and does not require linearization or small perturbation. Contrary to the conventional methods, in energy balance method, only one iteration leads to high accuracy of the solutions. The results reveal that the energy balance method is very effective and simple. It is predicted that the energy balance method can be found wide application in engineering problems, as indicated in following examples.     

有限深势阱里量子盘中极化子的基态性质

采用平面波展开、幺正变换和变分相结合的方法推导出有限深势阱里量子盘中极化子的基态能量公式.采用极化子单位进行数值计算,结果表明极化子的基态能量随势垒高度和势垒宽度的增大而增大,原因是势垒愈高、愈宽,电子穿透势垒的可能性愈小,导致电子能量增大,进而导致极化子基态能量增大.数值计算结果还表明极化子的基态能量随量子盘有效受限长度和量子盘半径的增大而减小;声子效应导致极化子能量较电子能量低.     

Remarks on the Energy Balance of Low Pressure Discharges

Including excitation and de-excitation processes, direct and stepwise processes of the ionization, the particle balance and the energy balance of a positive column are jointly studied. It is shown that even near the axis the energy flux due to the radial electron drift can be only neglected provided that the mean electron energy is considerably less than the ionization energy. In some cases, it appears easier to apply the total energy balance instead of the energy balance of the electron gas alone.     

SG-Ⅲ主机装置预放系统能量平衡与稳定性分析

基于SG-Ⅲ主机装置预放系统,提出一套预放系统能量平衡方案,实现了对预放系统输出能量的精确控制。装置运行实验结果表明,预放系统的能量平衡控制精度达到5.47%。通过对影响预放系统输出能量平衡各项因素的定量分析,指出影响预放系统能量平衡控制精度的主要因素是1 Hz重频能量波动,而提高1 Hz重频能量稳定性的关键在于控制前端系统注入偏振能量波动。     

Energy transfers in dynamos with small magnetic Prandtl numbers

We perform numerical simulation of dynamo with magnetic Prandtl number Pm = 0.2 on 1024³ grid, and compute the energy fluxes and the shell-to-shell energy transfers. These computations indicate that the magnetic energy growth takes place mainly due to the energy transfers from large-scale velocity field to large-scale magnetic field and that the magnetic energy flux is forward. The steady-state magnetic energy is much smaller than the kinetic energy, rather than equipartition; this is because the magnetic Reynolds number is near the dynamo transition regime. We also contrast our results with those for dynamo with Pm = 20 and decaying dynamo.     

Electrodynamics of Hyperbolically Accelerated Charges: IV. Energy-Momentum Conservation of Radiating Charged Particles

The relativistic equation of motion of a radiating charge is discussed with special emphasis upon a clarification of the significance of the Schott energy for the energy-momentum conservation of the charge and the field it produces. In particular hyperbolic motion is studied. The case that a charge with constant velocity enters and leaves a region with hyperbolic motion is analysed. We find that the Schott energy is increased as the particle enters the region and that the energy it radiates while the charge moves hyperbolically comes from the Schott energy. A result of our analysis is that this energy is localized in the field close to the charge.     

有限深抛物势量子盘中极化子的激发态性质

量子点作为一种重要的低维纳米结构, 近年来在单光子光源和新型量子点单光子探测器的研究引起了人们的广泛关注, 对各种势阱中量子点性质的研究已取得了重要成果. 但是大多理论研究都局限于无限深势阱, 而有限深势阱更具有实际意义. 利用平面波展开、幺正变换和变分相结合的方法研究了有限深势阱中极化子激发态能量及激发能随势阱形状和量子盘大小的变化规律. 数值计算结果表明: 极化子的激发态能量、激发能随势垒高度或宽度的增大而增大, 原因是势垒愈高、愈宽, 电子穿透势垒的可能性愈小, 电子在阱内运动的可能性愈大, 进而导致极化子的激发态能量和激发能均随势垒高度和宽度的增大而增大; 极化子的激发态能量和激发能随量子盘半径的增大而减小, 表明量子盘具有显著的量子尺寸效应; 极化子的激发态能量随有效受限长度的增加而减小, 原因是有效受限长度愈大, 有效受限强度愈小, 电子受到的束缚愈弱、振动愈慢、势能愈小, 进而导致基态能量、激发态能量减小; 同时由于激发态能量较基态能量减小慢, 使得激发能随之增加. 研究结果对量子点的应用具有一定的理论指导意义.     

Energy flow model considering near field energy for predictions of acoustic energy in low damping medium

The Acoustic Energy Flow Boundary Element Method (AEFBEM) is developed to predict the acoustic energy density and intensity of an engineering system. Up to now, the acoustic energy flow model has been used only for analysis of high frequencies or radiation noise because of plane wave and far-field assumptions. In this research, a new energy flow governing equation that can consider the near field acoustic energy term and spherical wave characteristics is derived successfully to predict the acoustic energy density and intensity of a system in the medium-to-high frequency range. A near field term of acoustic energy in spherical coordinate is added to the relationship between energy density and energy flow. But with the far-field assumption, this term vanishes, so the relationship between energy density and energy flow becomes the same as that of the plane wave. By considering the near field energy term without far-field assumption, the energy density at medium frequencies can be estimated. However, the governing equation has to be numerically manipulated for use in the analysis of complex structures; therefore, the Boundary Element Method (BEM) is implemented. AEFBEM is a numerical analysis method formulated by applying the boundary element method to an acoustic energy flow governing equation. It is very powerful in predicting the acoustic energy density and intensity of complex structures in medium-to-high frequency ranges, and can analyze interior noise and radiating sound. To verify its validity, several numerical results are provided. BEM and AEFBEM were compared with respect to energy density, and the results from both methods were similar.     

过渡金属W、Mn、V、Ti掺杂二维材料MoSi2N4的第一性原理计算

本文基于密度泛函理论(DFT)的第一性原理计算了W、Mn、V、Ti替位掺杂二维MoSi₂N₄后的几何结构、电子结构以及光学性质的变化.电子结构分析表明W、Mn、W、Ti替位掺杂二维MoSi₂N₄后的禁带宽度分别为1.806 e V、1.003 e V、1.218 e V和1.373 e V;四种过渡金属掺杂后MoSi₂N₄的带隙类型没有发生改变,均为间接带隙半导体;W掺杂后的杂质能级靠近价带顶,费米能级靠近价带顶,为p型半导体,杂质能级为受主能级;Mn掺杂后的杂质能级靠近导带底,费米能级靠近导带底,为n型半导体;V和Ti掺杂后杂质能级位于费米能级附近,为复合中心;光学性质分析表明,在2 e V～4 e V的能量区间内,W掺杂结构的吸收波长为336 nm,体系发生红移;Mn、V和Ti替位掺杂后的吸收波长分别为320 nm、358 nm和338 nm,且掺杂体系均发生蓝移.     

Equivalent damping and frequency change for linear and nonlinear hybrid vibrational energy harvesting systems

A unified approximation method is derived to illustrate the effect of electro-mechanical coupling on vibration-based energy harvesting systems caused by variations in damping ratio and excitation frequency of the mechanical subsystem. Vibrational energy harvesters are electro-mechanical systems that generate power from the ambient oscillations. Typically vibration-based energy harvesters employ a mechanical subsystem tuned to resonate with ambient oscillations. The piezoelectric or electromagnetic coupling mechanisms utilized in energy harvesters, transfers some energy from the mechanical subsystem and converts it to an electric energy. Recently the focus of energy harvesting community has shifted toward nonlinear energy harvesters that are less sensitive to the frequency of ambient vibrations. We consider the general class of hybrid energy harvesters that use both piezoelectric and electromagnetic energy harvesting mechanisms. Through using perturbation methods for low amplitude oscillations and numerical integration for large amplitude vibrations we establish a unified approximation method for linear, softly nonlinear, and bi-stable nonlinear energy harvesters. The method quantifies equivalent changes in damping and excitation frequency of the mechanical subsystem that resembles the backward coupling from energy harvesting. We investigate a novel nonlinear hybrid energy harvester as a case study of the proposed method. The approximation method is accurate, provides an intuitive explanation for backward coupling effects and in some cases reduces the computational efforts by an order of magnitude.