SHPB试验中粘弹性材料的应力均匀性分析

采用特征线解法，对满足ZWT方程的粘弹性材料在高应变率SHPB试验中的应力均匀性进行了数值研究。着重分析了不同的材料本构粘性(松弛时间)、瞬态波阻抗比和入射波升时对于试样中应力均匀性、应变均匀性和平均应变率等的影响。为今后动态试验的试样设计提供了一定的理论依据。     

A DEVELOPMENT OF BEM TO TWO DIMENSIONAL ELASTICITY

This paper presents a new boundary integral equatiòn for two-dimensional elasticity with the stress component σ_(ij)t_it_j as one of the boundary values,where t_i is the direction cosine of the tangent on the boundary.This form of BEM hasan advantage in that the stress component σ_(ij)t_it_j on the boundary can be calculateddirectly from the numerical solution.The present formulation for plane problems usestwo kernels,the one is logarithmically singular and the other is 1/r singular.Theeffectiveness of the approach is also discussed through test examples.     

The degeneration of the breathers for the BKP equation

In this paper, by the complexification of the wave number of the soliton given by the Hirota bilinear method, we get the breather solutions. Lumps of the BKP equations are constructed by full degeneration of the breathers, i.e., the limit of infinitely large period of the breathers. The localization characters of the 1-order lump by contour line method are studied analytically. The partial degeneration of the breathers yields hybrid solutions including soliton, lump and breathers.     

基于非线性最小二乘法的多光谱拟合程序：应用于12CH4谱线参数分析

精确的甲烷分子实验光谱参数在大气科学和天文探测等领域有着广泛的应用,特别是谱线的展宽系数及其温度依赖系数对于甲烷分子浓度廓线的研究尤为重要。精密的实验测量是获得准确谱线参数的重要手段。采用实验测量获取谱线参数时,需要在已知实验条件（浓度,温度,总压力,吸收光程以及气体分子种类的混合比等）的情况下,多次扫描同一波段范围得到多组实验室吸收光谱,然后利用基于非线性最小二乘法的拟合程序处理这些光谱,反演获得所需要的光谱参数。然而,一般常用的单光谱拟合程序处理实验光谱既费时又容易引起拟合过程中的误差传递。针对此问题,采用最小二乘拟合技术和Levenberg-Marquardt迭代算法编写了一款适用于处理由可调谐半导体激光吸收光谱技术（TDLAS）所获得的吸收光谱的多光谱拟合程序。该程序可同时处理多张实验光谱,并基于全局拟合方法获得一套光谱参数。详细介绍了该程序的原理、使用方法及数据处理过程。利用多光谱拟合程序中的Voigt线型处理了2 958～2 959 cm-1波数内甲烷（12CH₄）分子6条跃迁谱线的实验光谱,获得了296.0,251.0,223.0,198.0和173.0 K共5组温度下12CH₄分子6条谱线的空气展宽系数。与之前文献报道的该波段内采用单光谱拟合程序得到的相应数据对比结果表明：获得的各温度下的空气展宽系数与参考文献中相应数据差值的百分比处在-4.97%~1.58%之间,两者数据整体符合较好,并且在30组对比数据中,有4组由单光谱拟合程序得到的空气展宽系数的误差值小于由多光谱拟合程序得到的相应数值,有2组数据显示由两种方法获得的误差值相等,其余24组由多光谱拟合程序获得的数据拟合误差小于由单光谱拟合程序获得的相应数值,表明多光谱拟合程序具有良好的可靠性,适用于气体分子吸收光谱的处理。     

A theoretical kinetics study on low-temperature oxidation of n-C4H9 radicals

The low-temperature oxidation mechanism of n?butyl radicals (n-C₄H₉) has been investigated by high level quantum chemical calculations coupled with the Rice–Ramsperger–Kassel–Marcus/Master Equation (RRKM/ME) theory. The potential energy surfaces (PES) were explored at the QCISD(T)/CBS//B3LYP/6-311++G(d,p) level. The temperature- and pressure-dependent rate constants were computed and fitted in modified Arrhenius parameters. The major reaction channels were discussed to more deeply understand the competing relationships between chain branching, chain propagation and termination reactions. The results show that the 1,5 H-shift reaction is more competitive than the 1,6 H-shift and 1,4 H-shift for isomerization reactions of n?butyl peroxy radicals, and the concerted HO₂ elimination channel to form butene becomes more important at high temperatures. Furthermore, based on our calculations, a revised kinetic model was developed to describe n-butane oxidation. Good consistency between model predictions and experimental data was shown. This study enhances our understanding of the combustion mechanism of n-butane and can be used as a reliable reference for mechanistic understanding of larger alkanes.     

Magnetism and giant magnetocaloric effect in rare-earth-based compounds R_3BWO_9(R = Gd,Dy, Ho)

The magnetism and magnetocaloric effect(MCE) of rare-earth-based tungstate compounds R_3 BWO_9(R=Gd,Dy,Ho) have been studied by magnetic susceptibility,isothermal magnetization,and specific heat measurements.No obvious long-range magnetic ordering can be found down to 2 K.The Curie-Weiss fitting and magnetic susceptibilities under different applied fields reveal the existence of weak short-range antiferromagnetic couplings at low temperature in these systems.The calculations of isothermal magnetization exhibit a giant MCE with the maximum changes of magnetic entropy being 54.80 J/kg-K at 2 K for Gd_3 BWO_9,28.5 J/kg-K at 6 K for Dy_3 BWO_9,and 29.76 J/kg-K at 4 K for Ho_3 BWO_9,respectively,under a field change of 0-7 T.Especially for Gd_3 BWO_9,the maximum value of magnetic entropy change(-ΔS_M~(max)) and adiabatic temperature change(-ΔT_(ad)~(max)) are 36.75 J/kg·K and 5.56 K for a low field change of 0-3 T,indicating a promising application for low temperature magnetic refrigeration.     

Spin–phonon coupling in van der Waals antiferromagnet VOCl

We report magnetization and Raman spectroscopy study on single crystals of VOCl, a van der Waals antiferromagnetic material. Magnetization measurement confirms an antiferromagnetic transition at 79 K and a magnetic easy axis along crystallographic a direction. The temperature-dependent Raman spectrum reveals five peaks at 30 K. Below the Neel temperature TN, the Raman-active modes 247 cm~(-1) and 404 cm~(-1) remarkably deviate from the standard Boltzmann function,which is ascribed to the strong magnetoelastic coupling between spins and phonons. We further observe an anomaly in 383 cm~(-1) mode at around 150 K. This coincides with the broad maximum in VOCl's magnetic susceptibility, suggesting a development of short-ranged magnetic order at this temperature.     

高效选取线性独立的原子特征构建精确机器学习势函数

机器学习势由于具有与第一性原理计算相当的准确性,且低得多的计算成本,在原子模拟中极具前景. 然而原子机器学习势的可靠性、速度和可迁移性在很大程度上取决于原子构型的表示. 适当地选取用作机器学习程序输入的描述符是一个成功的机器学习表示的关键. 本文发展了一种简单有效的方法,可以基于训练数据固有的相关性,从大量待选的描述符中自动选取一组最佳的线性独立原子特征. 通过对几个具有较少冗余线性独立嵌入密度描述符的基准分子构建嵌入原子神经网络势的应用,证明了这种新方法的有效性和准确性. 该算法可以大大简化原子特征的初始选取,并极大地提高原子机器学习势的性能.     

CEE实验中TOF探测器数据获取系统的设计

正在研制的低温高密度核物质测量谱仪(CSR External-target Experiment,CEE)系统经过触发后平均数据率可达2 GB/s。针对整个谱仪的设计需求,本文提出了通用的流处理数据获取架构Data-Matrix (D-Matrix),并设计了D-Matrix在飞行时间探测器(Time-of-Flight,TOF)子系统应用的具体方案。TOF系统的数据获取(Data Acquisition,DAQ)系统中使用光纤、PCIe总线等高速串行通信方式完成从前端电子学(Front End Electronic, FEE)到服务器阵列的数据传输,并通过具有统一接口的流处理节点的部署和级联来完成事例组装、命令路由、状态实时监测和数据显示与存储等任务。除此之外,TOF系统的数据获取系统在硬件和逻辑设计上具有良好的通用性,可以兼容其他子探测器系统,并应用于CEE实验的全局系统中。     

Energy-preserving algorithm for gyrocenter dynamics of charged particles

Numerical Algorithms - Gyrocenter dynamics of charged particles plays a fundamental and important role in plasma physics, which requires accuracy and conservation in a long-time simulation....