分子动力学模拟研究外电场对咪唑类离子液体振动谱的影响

本文利用分子动力学模拟研究了外电场对咪唑类离子液体1-乙基-3-甲基咪唑六氟磷酸盐(EMIMPF₆)从0到4000 cm⁻¹范围内振动谱的影响。研究结果表明,在没有外电场时利用分子动力学模拟计算得到的从400到4000 cm⁻¹的振动带可以重现实验测得的谱。当外电场从0到9 V·nm⁻¹变化时,在50.0和199.8 cm⁻¹处的振动带强度持续增强然后趋于饱和,而从400到4000 cm⁻¹的振动带强度明显减弱并最终消失。此外,在外电场从0变到2 V·nm⁻¹时,50.0 cm⁻¹的振动带红移了16.7 cm⁻¹,然后当外电场变化到3 V·nm⁻¹及更大时,该振动带红移增大到33.3 cm⁻¹。在外电场从0变到3 V·nm⁻¹时,3396.6 cm⁻¹的振动带红移大约16.7 cm⁻¹,然后当外电场增大到4 V·nm⁻¹甚至更大时,该振动带红移33.3 cm⁻¹,但是从0到4000 cm⁻¹的其他振动带的位置几乎没有变化。基于对模拟结果和先前报道文献的进一步分析,对于50.0 cm⁻¹的振动带,增加的外电场增强了阳离子和阴离子之间的极性使阳离子和阴离子间的偶极矩增大,因此该振动带的强度不断增大然后达到饱和。对于199.8 cm⁻¹的振动带增加的外电场增强了乙基链的扭转,使该振动带的强度增大并达到饱和。对于从400到4000 cm⁻¹的其他振动带,增加的外电场使EMIMPF₆中的阳离子和阴离子的取向更一致,并且可以推测这种更一致的取向可能会削弱振动带的强度甚至使它们消失。50.0 cm⁻¹处振动带的红移可能是由于外电场破坏了EMIMPF₆内部的静电场分布进而减弱了阳离子和阴离子间的相互作用。3396.6 cm⁻¹处振动带的红移可归功于外电场减弱了氮原子与阳离子咪唑环上酸性氢原子间形成的氢键的拉伸振动。对于其他的振动带,由于官能团固有的拉伸、弯曲、转动振动不受外电场的影响,外电场没有改变振动带的位置。     

ZONAL DISINTEGRATION MECHANISM OF DEEP CRACK-WEAKENED ROCK MASSES UNDER DYNAMIC UNLOADING

Size and quantity of fractured zone and non-fractured zone are controlled by cracks contained in deep rock masses. Zonal disintegration mechanism is strongly dependent on the interaction among cracks. The strong interaction among cracks is investigated using stress superposition principle and the Chebyshev polynomials expansion of the pseudo-traction. It is found from numerical results that crack nucleation, growth and coalescence lead to failure of deep crack- weakened rock masses. The stress redistribution around the surrounding rock mass induced by unloading excavation is studied. The effect of the excavation time on nucleation, growth, interaction and coalescence of cracks was analyzed. Moreover, the influence of the excavation time on the size and quantity of fractured zone and non-fractured zone was given. When the excavation time is short, zonal disintegration phenomenon may occur in deep rock masses. It is shown from numerical results that the size and quantity of fractured zone increase with decreasing excavation time, and the size and quantity of fractured zone increase with the increasing value of in-situ geostress.     

重离子治疗装置同步加速器高频控制系统研制

重离子治疗对病灶周围健康组织损伤最小,对癌细胞杀伤效果最佳,是当代公认的先进有效的放疗方法。重离子Bragg峰与束流能量的关系要求重离子束能够在不同的能量间切换,需要加速器实现变能量加速。变能量加速的关键系统是同步加速器高频计算机控制系统;要求该系统能够根据光触发事例自动更换加速波形文件。该系统主要由三块基于PXI总线的FPGA板卡组成,采用了SOPC、DSP等技术,实现了波形文件的接收、插值及输出等功能。目前,控制系统经过长期稳定性试验,指标完全满足重离子治疗要求。Heavy ion therapy is the most advanced and effective method of radiotherapy. Because it has the advantage that it has minimal damage to surrounding healthy tissue and the greatest cancer celling killing effect. The relationship between heavy ion Bragg peak and beam energy requires the accelerator to switch the beam between different energy. The PXI RF control system plays an important role in Heavy Ion Medical Machine(HIMM). It can automatically change the waveform files according to the optical event. The system is mainly consisted by three FPGA cards, based on PXI bus, and mainly use the technology such as SOPC, DSP and so on. The PXI RF control system for HIMM has been tested through a long-term stability experiments, the system meets the proposed requirements.     

3D Nanostructured Polypyrrole/Sodium Alginate Conducting Hydrogel from self-assembly with High Supercapacitor Performance

Due to their possible ideal three dimensional (3D) nanostructures and excellent electrochemical properties, conducting hydrogels have attracted much attention in recent years. Herein, pyrrole monomer was directly dissolved in an aqueous solution of sodium alginate (SA), and was allowed to undergo in-situ polymerization to form polypyrrole (Ppy), resulting in formation of Ppy/SA, a conducting hydrogel, via self-assembly between the polymers. Observation by SEM indicated that the microstructure of the Ppy/SA hydrogel was a typical 3D nano-cylinder network, with the cylinders formed by entanglements of the Ppy and SA molecular chains (cylinder diameter was ～100 nm). The electrochemical measurements of cyclic voltammetry, galvanostatic charge/discharge and electrochemical impedance spectroscopy indicated that the Ppy/SA hydrogel possessed typical pseudocapacitance, good charging and discharging rate performance, and favorable capacitive behavior; the specific capacity reached up to 249 F/g at the current density of 0.2 A/g. We suggest it has great potential in the field of high-performance electrode materials for supercapacitors.     

The effect of blade vibration on the nonlinear characteristics of rotor–bearing system supported by nonlinear suspension

In this paper, the complicated nonlinear dynamics of the harmonically forced quasi-zero-stiffness SD (smooth and discontinuous) oscillator is investigated via direct numerical simulations. This oscillator considered that the gravity is composed of a lumped mass connected with a vertical spring of positive stiffness and a pair of horizontally compressed springs providing negative stiffness, which can achieve the quasi-zero stiffness widely used in vibration isolation. The local and global bifurcation analyses are implemented to reveal the complex dynamic phenomena of this system. The double-parameter bifurcation diagrams are constructed to demonstrate the overall topological structures for the distribution of various responses in parameter spaces. Using the Floquet theory and parameter continuation method, the local bifurcation patterns of periodic solutions are obtained. Moreover, the global bifurcation mechanisms for the crises of chaos and metamorphoses of basin boundaries are examined by analysing the attractors and attraction basins, exploring the evolutions of invariant manifolds and constructing the basin cells. Meanwhile, additional nonlinear dynamic phenomena and characteristics closely related to the bifurcations are discussed including the resonant tongues, jump phenomena, amplitude–frequency responses, chaotic seas, transient chaos, chaotic saddles, and also their generation mechanisms are presented.     

连续碳纤维增强碳化硅的辐照效应

连续碳纤维增强碳化硅材料除了具有碳化硅材料固有的低中子活化性能,低衰变热性能和低氚渗透性能等优点以外,还具有密度低、线性膨胀系数小、高比强度、高比模量、耐高温、抗氧化、抗蠕变、抗热震、耐化学腐蚀、耐盐雾、优良的电磁波吸收特性等一系列优异性能,是各类核工程重要的潜在候选材料。在核聚变工程应用领域,连续碳纤维增强碳化硅材料作为第一壁材料不可避免地会受到各种辐射粒子的影响。研究清楚这些辐射粒子对它的辐照效应对其在核工程领域的安全使用至关重要。采用蒙特卡罗方法与分子动力学方法进行模拟计算,研究了氕、氘、氚和氦四种粒子对连续碳纤维增强碳化硅的辐照效应。SRIM和LAMMPS计算结果表明:当入射原子能量为100 eV,连续碳纤维增强碳化硅中碳的浓度在80%~85%时,氕、氘、氚和氦原子的溅射率存在最小值;入射粒子的种类对溅射率的影响显著,氦原子的溅射率大于氘原子和氚原子,而氘原子和氚原子的溅射率相差不大但均显著大于氕原子;溅射率随入射能量的增加先迅速增加后逐渐减小,氕、氘、氚和氦原子入射能量分别在200,400,600和800 eV时存在溅射率最大值;当氦原子入射能量为100 eV时,溅射率随入射角度的增加而逐渐减少。这些结果对连续碳纤维增强碳化硅材料在核工程上的应用具有一定的参考意义。Continuous carbon fiber reinforced silicon carbide material has the low neutron activation, low decay heat performance and tritium permeability, which are inherent performance of silicon carbide materials. It also has other advantages such as low density, small linear expansion coefficient, specific strength and specific modulus, high temperature resistance, oxidation resistance, creep resistance, thermal shock, resistance to chemical corrosion, salt fog resistance, excellent electromagnetic wave absorption properties, etc. It is an important potential candidate material in various field of nuclear engineering. In the field of nuclear fusion engineering applications, continuous carbon fiber reinforced silicon carbide as the first wall material will inevitably be bombarded by a variety of radiation particles. The radiation effect is critical to its safe use in nuclear engineering. The Monte Carlo method and the molecular dynamics method were used to study the radiation effect of protium, deuterium, tritium and helium on continuous carbon fiber reinforced silicon carbide. The SRIM and LAMMPS simulation results show that when the incident energy is 100 eV and the concentration of carbon in the continuous carbon fiber reinforced silicon carbide is about 80% ~ 85%, the sputtering yield of protium, deuterium, tritium and helium atoms have the minimum values. The kind of incident particle has a significant effect on the sputtering yield. The sputtering yield of helium atoms is larger than that of tritium atoms and deuterium atoms. There is not much difference between the sputtering yield of deuterium atoms and tritium atoms, and both the sputtering yield of deuterium atoms and tritium atoms are larger than that of protium atoms. The sputtering yield initially increases rapidly with the increase of the incident energy and then decreases gradually. The incident energy of the protium, deuterium, tritium and helium atoms has the maximum value of the sputtering yield at 200, 400, 600 and 800 eV, respectively. When the incident energy of helium atoms is 100 eV, the sputtering yield decreases while the increase of the incident angle. These results can provide a certain reference for the application of continuous carbon fiber reinforced silicon carbide materials in nuclear engineering.     

Spline Surfaces over Arbitrary Topological Meshes: Theoretical Analysis and Application

Based on polyhedral splines, some multivariate splines of different orders with given supports over arbitrary topological meshes are developed. Schemes for choosing suitable families of multivariate splines based on pre-given meshes are discussed. Those multivariate splines with inner knots and boundary knots from the related meshes are used to generate rational spline shapes with related control points. Steps for up to $C^2$-surfaces over the meshes are designed. The relationship among the meshes and their knots, the splines and control points is analyzed. To avoid any unexpected discontinuities and get higher smoothness, a heart-repairing technique to adjust inner knots in the multivariate splines is designed.With the theory above, bivariate $C^1$-quadratic splines over rectangular meshes are developed. Those bivariate splines are used to generate rational $C^1$-quadratic surfaces over the meshes with related control points and weights. The properties of the surfaces are analyzed. The boundary curves and the corner points and tangent planes, and smooth connecting conditions of different patches are presented. The $C^1$−continuous connection schemes between two patches of the surfaces are presented.     

城市浅埋软岩隧道施工沉降分析及对策

浅埋软岩隧道施工沉降变形控制是浅埋地下工程面临的关键难题,其中最基础的内容是对开挖引起的沉降变形规律的掌握。通过对新建龙岩至厦门铁路石桥头隧道地表沉降变形观测分析,将地表沉降变形划分为三个主要阶段：初始沉降阶段、加速沉降阶段和减速沉降阶段; 结合隧道拱顶沉降监测结果,得出浅埋软岩隧道地表沉降与拱顶沉降正相关的结论。隧道开挖对掌子面前后纵向地表沉降的主要影响范围分别为15D和3D(D为开挖跨度); 横向地表沉降影响范围包括隧道中线两侧各4D的范围,地表建(构)筑物受到较大影响包括隧道中线两侧各2D的范围。针对地表和拱顶沉降过大,采取全断面超前预注浆方案进行处理,监测结果显示全断面超前预注浆能有效控制拱顶下沉和地表沉降量,收敛值减小则不显著,说明该方案达到了控制沉降变形的目的。
浅埋软岩隧道〓地表沉降〓拱顶沉降〓监测〓全断面超前预注浆
P642
A
2009-04-14
2009-06-04
陈利杰,主要从事铁路隧道工程技术管理工作.Email: lxtlzhb@126.com     

基于MATLAB的悬臂梁大变形分析

主要研究悬臂梁大变形的挠度求解问题.通过推导悬臂梁自由端受集中力时的绕曲线方程,得出一种较为简便的大变形问题求解方法.编写程序利用黎曼积分配合二分法迭代出解,并和传统小变形解法进行了比较.同时,利用ANSYS软件建模证明了本文方法在一定范围的正确性.     

光纤中飞秒光孤子脉冲传输的高阶因素分析

用数值分析的方法,从脉冲波形和脉冲中心位置的漂移两方面,分析了三阶色散和高阶非线性效应对在正常色散光纤中传输的飞秒光弧子的影响,指出单独的三阶色散或高阶非线性都影响脉冲波形,但二者有一个最佳的抵消值,并且三阶色散是引起脉冲中心位置漂移的主要因素.