冲击加载-准等熵加载过程的密度梯度飞片计算设计

 采用一维弹塑性流体动力学计算方法,通过对LLNL（Lawrence Livermore National Laboratory）Mg-Cu体系密度梯度飞片冲击加载-准等熵加载实验过程数值计算和比较,验证了流体动力学计算方法、不同材料体系混合模型以及计算程序的正确性和实用性。考虑到在飞片材料制备中,单层厚度最小值为0.2 mm和Mg-W最大阻抗混合质量分数的致密条件限制,开展了对新的Mg-W体系密度梯度飞片实现冲击加载-准等熵加载过程计算设计,给出了满足加载要求的飞片结构特征;从计算给出的粒子速度波剖面可见,密度梯度飞片波阻抗分布对加载过程和加载强度非常敏感,通过精心设计准连续型变阻抗的梯度飞片,可以进行不同复杂加/卸载过程的物理模型设计和实验研究。     

Pillow飞片气炮加载实验的数值模拟研究

 采用多介质弹塑性流体动力学计算方法,研制了适用于复杂加载的Lagrange计算程序MLEP,对劳伦斯利弗莫尔国家实验室（Lawrence Livermore National Laboratory,LLNL）19层和冲击波物理与爆轰物理国防科技重点实验室（Laboratory of Shock Wave and Detonation Physics,LSD）设计的29层Mg-Cu体系Pillow密度梯度飞片气炮加载实验过程进行了数值模拟和比较,获得的速度剖面计算结果与实验测试结果吻合一致,验证了流体动力学计算方法、不同材料体系混合模型以及计算程序的有效性和实用性,为进一步开展可控路径的复杂加载实验研究奠定了基础。     

Analytical solution and semi-analytical solution for anisotropic functionally graded beam subject to arbitrary loading

Analytical and semi-analytical solutions are presented for anisotropic functionally graded beams subject to an arbitrary load, which can be expanded in terms of sinusoidal series. For plane stress problems, the stress function is assumed to consist of two parts, one being a product of a trigonometric function of the longitudinal coordinate (x) and an undetermined function of the thickness coordinate (y), and the other a linear polynomial of x with unknown coefficients depending on y. The governing equations satisfied by these y-dependent functions are derived. The expressions for stresses, resultant forces and displacements are then deduced, with integral constants determinable from the boundary conditions. While the analytical solution is derived for the beam with material coefficients varying exponentially or in a power law along the thickness, the semi-analytical solution is sought by making use of the sub-layer approximation for the beam with an arbitrary variation of material parameters along the thickness. The present analysis is applicable to beams with various boundary conditions at the two ends. Three numerical examples are presented for validation of the theory and illustration of the effects of certain parameters. Supported by the National Natural Science Foundation of China (Grant Nos. 10472102, 10432030, and 10725210)     

阻抗梯度飞片加载下的超高速发射二维数值模拟方法

阻抗梯度飞片准等熵加载和超高速发射的二维数值模拟,在计算方法上集中体现了多介质、多界面、大变形、高密度比等特点.采用多介质流体高精度PPM计算方法,以VOF为基础研制MFPPM2二维计算程序,数值模拟Sandia实验室的超高速发射实验模型,获得了与Sandia实验室数值计算一致的结果.     

ITER ����֧�Žṹ��ά����ϵͳ���ϵͳ�����

为了验证ITER磁体支撑结构的可靠性,建立了多维加载测试平台对支撑部件进行机械性能检测。测量控制系统由7台EDC控制器、计算机系统、16通道准动态应变仪、25只位移传感器、7套油缸中的负荷和位移传感器组成。基于可编程语言,利用EDC220数字控制器实现了多通道协调加载的测量和控制过程,完成了7套双油缸高精度同步控制实验。针对典型的加载工况进行工程测试。结果表明,测控系统设计合理,控制系统可靠,能满足下一步的实验要求。     

密度泛函交换关联势与过渡金属化合物光学非线性的计算研究

在优化几何构型的基础上，对一系列强关联过渡金属化合物，采用密度泛函理论方法中各种 交换关联势计算了电子偶极矩、一阶光学极化率和一阶光学超极化率.考虑基组和频率影响 ，对比从头算MP2，HF方法及实验值，评价了各种交换关联势的计算表现.在此基础上，讨论 新的混合密度泛函交换关联势，以提高密度泛函理论方法计算含有过渡金属体系非线性光学 性质的精度. 关键词： 密度泛函方法 过渡金属化合物 非线性光学     

ITER 磁体支撑结构多维加载系统测控系统的设计

为了验证ITER 磁体支撑结构的可靠性,建立了多维加载测试平台对支撑部件进行机械性能检测。测量控制系统由7 台EDC 控制器、计算机系统、16 通道准动态应变仪、25 只位移传感器、7 套油缸中的负荷和位移传感器组成。基于可编程语言,利用EDC220 数字控制器实现了多通道协调加载的测量和控制过程,完成了 7 套双油缸高精度同步控制实验。针对典型的加载工况进行工程测试。结果表明,测控系统设计合理,控制系统可靠,能满足下一步的实验要求。     

Comparison between numerical models for radiative transfer simulation in the atmosphere-ocean system

An extensive comparison between radiative transfer codes in the atmosphere-ocean system is proposed and performed. The full angular radiance distribution at several optical depths in atmosphere and water is intercompared on a set of idealized problems designed to study codes’ accuracy in modeling separate, specific system features. In-water profiles of upwelling nadir radiance, upwelling and downwelling irradiance are intercompared for a realistic case extracted from an experimental data set. Two models are involved: the FEM numerical algorithm, based on the finite element method, and the PHO-TRAN 3D backward Monte Carlo code. The results show an optimal agreement between the codes under any condition. Codes’ relative differences are always lower than the estimated statistical error on the PHO-TRAN results.     

SPINEVOLUTION: a powerful tool for the simulation of solid and liquid state NMR experiments

Exact numerical simulations of NMR experiments are often required for the development of new techniques and for the extraction of structural and dynamic information from the spectra. Simulations of solid-state magic angle spinning (MAS) experiments can be particularly demanding both computationally and in terms of the programming required to carry them out, even if special simulation software is used. We recently developed a number of approaches that dramatically improve the efficiency and allow a high degree of automation of these computations. In the present paper, we describe SPINEVOLUTION, a highly optimized computer program that implements the new methodology. The algorithms used in the program will be described separately. Although particularly efficient for the simulation of experiments with complex pulse sequences and multi-spin systems in solids, SPINEVOLUTION is a versatile and easy to use tool for the simulation and optimization of virtually any NMR experiment. The performance of SPINEVOLUTION was compared with that of another recently developed NMR simulation package, SIMPSON. Benchmarked on a series of examples, SPINEVOLUTION was consistently found to be orders of magnitude faster. At the time of publication, the program is available gratis for non-commercial use.     

全密度功能性复杂金属零件的激光直接快速制造

 针对具有复杂结构的全密度功能性金属零件快速制造难题,探讨了该类零件的选区激光熔化直接快速制造方法,并结合实验,重点对同步保证选区激光熔化快速制造金属零件成型密度及精度的工艺进行了研究。结果表明：同步消除球化、飞溅及气孔对成型件致密性及精度的影响是实现选区激光熔化快速制造全密度功能性复杂金属零件的难点及关键;在维持良好的抗氧化气氛条件下,可采用尽可能薄的铺粉厚度及恰当调节其它成型参数的方法,以保证对上一层有足够的重熔量来消除球化及气孔现象;同时,采用合适的扫描策略,可弱化飞溅对成型质量的影响来解决工艺难题。采用该工艺方案可快速制造全密度功能性复杂金属零件,所成型的316L不锈钢叶轮零件相对密度为99.8%,硬度为HB192,表面粗糙度约为40 μm,尺寸精度在±0.1 mm以内,稍经打磨后即可投入使用。     

Effect of ionic size on the structure of spherical double layers: a Monte Carlo simulation and density functional theory study

The effect of ionic size on the diffuse layer characteristics of a spherical double layer is studied using Monte Carlo simulation and density functional theory within the restricted primitive model. The macroion is modelled as an impenetrable charged hard sphere carrying a uniform surface charge density, surrounded by the small ions represented as charged hard spheres and the solvent is taken as a dielectric continuum. The density functional theory uses a partially perturbative scheme, where the hard sphere contribution to the one particle correlation function is evaluated using weighted density approximation and the ionic interactions are calculated using a second-order functional Taylor expansion with respect to a bulk electrolyte. The Monte Carlo simulations have been performed in the canonical ensemble. The detailed comparison is made in terms of zeta potentials for a wide range of physical conditions including different ionic diameters. The zeta potentials show a maximum or a minimum with respect to the polyion surface charge density for a divalent counterion. The ionic distribution profiles show considerable variations with the concentration of the electrolyte, the valency of the ions constituting the electrolyte, and the ionic size. This model study shows clear manipulations of ionic size and charge correlations in dictating the overall structure of the diffuse layer.     

全密度功能性复杂金属零件的激光直接快速制造

针对具有复杂结构的全密度功能性金属零件快速制造难题,探讨了该类零件的选区激光熔化直接快速制造方法,并结合实验,重点对同步保证选区激光熔化快速制造金属零件成型密度及精度的工艺进行了研究。结果表明：同步消除球化、飞溅及气孔对成型件致密性及精度的影响是实现选区激光熔化快速制造全密度功能性复杂金属零件的难点及关键;在维持良好的抗氧化气氛条件下,可采用尽可能薄的铺粉厚度及恰当调节其它成型参数的方法,以保证对上一层有足够的重熔量来消除球化及气孔现象;同时,采用合适的扫描策略,可弱化飞溅对成型质量的影响来解决工艺难题。采用该工艺方案可快速制造全密度功能性复杂金属零件,所成型的316L不锈钢叶轮零件相对密度为99.8%,硬度为HB192,表面粗糙度约为40 μm,尺寸精度在±0.1 mm以内,稍经打磨后即可投入使用。     

EAST偏振干涉仪电子密度跳变修正程序的开发

分析了EAST装置偏振干涉仪系统进行电子密度测量时存在的密度跳变信号,开发了密度跳变信号修正程序.结果表明,通过该程序跳变的电子密度数据可以得到有效的修正.     

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根据ITER运行的主要危险工况,设计了一个专用的三维加载测试平台,并对该测试平台进行了结构有限元分析。有限元分析结果表明,三维测试平台结构有足够的强度和刚度,能满足磁体支撑原型件的三维加载测试的精度要求,可以用该设计方案进行制造。为了确信三维加载测试的可靠,制定了专门的三维加载测试平台的验收方案并按此方案对测试平台进行了可靠性测试。     

Computational design of tetrazolone‐based high‐energy density energetic materials: Property prediction and decomposition mechanism

The density functional theory methods are used to design a series of new highly energetic tetrazolone‐based molecules by the combination of the linked tetrazolone framework and versatile substitutes. The molecular and electronic structures, physicochemical, and energetic properties were analyzed and predicted. The decomposition mechanisms were computationally simulated, and 3 potential decomposition channels were proposed. These newly designed tetrazolone‐based compounds show high densities (up to 2.08 g/cm³) and highly positive heats of formation (407.0‐1377.9 kJ/mol) due to all right content of nitrogen and oxygen. Most of them exhibit good detonation velocity (8.31‐9.62 km/s) and detonation pressure (32.40‐43.86 GPa), and some are comparative to excellent explosive CL‐20. Results show that compounds 6 , 10 , 11 , 12 , 15 , 16 , 17 , 22 , 23 , and 24 own superior detonation performance than widely used explosive HMX and may be promising candidates of green high‐performance energetic materials.     

静、动态目标模拟离轴三反光学系统设计

基于单色像差理论,确定同轴三反光学系统的初始结构参数,通过二次曲面系数为0的偶次非球面的高次项之间的平衡,校正离轴系统引起的非对称性像差,同时结合DMD(数字微镜器件)目标生成器,设计出一款采用离轴三反光学系统的平行光管,为坦克承载的被测光电设备提供室内模拟目标。本光学系统的设计指标是工作波段为0.2~1.2μm,有效焦距为3000mm,全视场为2°,F数为8。结果表明,系统各视场的波像差均优于λ/34(主波长λ=0.6328μm),传递函数MTF均优于0.71@36.5lp/mm,接近衍射极限,成像质量好。对系统进行公差分析之后,系统的传递函数值远优于0.6@36.5lp/mm,合理的公差分配使系统加工难度降低,装调检测更加方便容易。     

用于中子衍射的原位应力加载装置

一种小型化的应力加载系统,配合中子衍射应力谱仪可实现对多晶材料的原位测量,为进一步获得材料内部相、织构与应力演化的原位中子衍射实验结果,建立基于微观机制的材料宏观本构模型提供可能。该系统利用伺服电机提供动力,机架使用7050铝合金材料制造,系统的拉伸强度可达10 kN,运动速度可调（1 m/s~1 mm/s）。试样拉伸（压缩）时,S型传感器内部应变片变形产生电压信号,再经PLC处理后得到试样应力与应变之间关系。通过与英斯特朗5967实验拉伸机针对同一钢质试样进行对比实验发现,应力-应变曲线一致性良好。     

Weighted complex network analysis of travel routes on the Singapore public transportation system

The structure and properties of public transportation networks have great implications for urban planning, public policies and infectious disease control. We contribute a complex weighted network analysis of travel routes on the Singapore rail and bus transportation systems. We study the two networks using both topological and dynamical analyses. Our results provide additional evidence that a dynamical study adds to the information gained by traditional topological analysis, providing a richer view of complex weighted networks. For example, while initial topological measures showed that the rail network is almost fully connected, dynamical measures highlighted hub nodes that experience disproportionately large traffic. The dynamical assortativity of the bus networks also differed from its topological counterpart. In addition, inspection of the weighted eigenvector centralities highlighted a significant difference in traffic flows for both networks during weekdays and weekends, suggesting the importance of adding a temporal perspective missing from many previous studies.