AUFS 格式在无网格方法中的应用简

将计算量小,激波分辨率高的AUFS (artificially upstream flux vector splitting) 格式应用于无网格方法. 所发展算法基于多项式基函数最小二乘无网格方法,采用线性基函数曲面拟合及AUFS 格式计算各离散点的空间导数,应用四阶Runge-Kutta 法进行时间显式推进. 为验证算法健壮性、精度以及计算效率,对Riemann 问题、超音速平面流动,以及不同攻角NACA0012 翼型跨音速流场进行了数值模拟,其结果同采用HLLC (Harten-Lax-van Leer-contact) 格式的无网格方法以及文献报道结果吻合较好,并且计算量较形式简单HLLC 格式减少约15%.     

近红外光谱和人工神经网络的金苦荞氨基酸快速测定

荞麦籽粒中富含谷类作物比较缺乏的赖氨酸,使其不同于其他作物,具有较高经济价值。传统氨基酸测定费时且昂贵,为满足金苦荞育种工作的需要,选用近红外光谱技术结合人工神经网络的算法建立快速检测金苦荞叶片中氨基酸含量的近红外模型。使用氨基酸含量差异较大的样品255个,扫描光谱后测定其化学值。研究发现样品苏氨酸(Thr)含量范围是5.307~14.374 mg·g-1;缬氨酸(Val)含量范围是6.137~16.204 mg·g-1;甲硫氨酸(Met)含量范围是0.308~3.049 mg·g-1;异亮氨酸(Ile)含量范围是5.259~14.134 mg·g-1;亮氨酸(Leu)含量范围是9.730~26.061 mg·g-1;苯丙氨酸(Phe)含量范围是5.936~17.223 mg·g-1;赖氨酸(Lys)含量范围是6.640~17.280 mg·g-1;谷氨酸(Glu)含量范围是10.984~27.740 mg·g-1;天冬氨酸(Asp)含量范围是6.437~17.280 mg·g-1;丝氨酸(Ser)含量范围是3.467~8.312 mg·g-1;精氨酸(Arg)含量范围是4.937~14.772 mg·g-1;丙氨酸(Ala)含量范围是3.329~6.885 mg·g-1;组氨酸(His)含量范围是1.946~4.798 mg·g-1;甘氨酸(Gly)含量范围是4.196~9.264 mg·g-1;脯氨酸(Pro)含量范围是1.024~5.672 mg·g-1;酪氨酸(Tyr)含量范围是0.176~1.173 mg·g-1;半胱氨酸(Cys)含量范围是0.422~1.926 mg·g-1。每次随机选取50个样品建设模型,以4∶1的比例随机分为训练集和测试集。数据进行归一化处理后,使用神经网络结构1102-9-1进行模型建设。利用多次学习的方式建立了较优模型,其中Arg和Asp近红外模型的仿真测试结果最好,预测值与真实值的相关系数(R2)均大于0.97,平均相对误差(RSD)也小于10%;另外Leu,Val,Tyr,Ile,Ser,Ala,Thr,His,Phe,Gly和Lys模型的R2均大于0.90,模型仿真测试数据的RSD小于10%,模型均可用;Met与Cys的模型进行仿真测试时,其预测值与真实值的R2均大于0.78,但RSD大于10%,模型不可用。结果表明,金苦荞叶片的氨基酸含量高,有极高应用价值,近红外光谱技术结合人工神经网络的分析方法可应用于金苦荞氨基酸含量的预测,为高品质荞麦育种工作提供了便利。     

ANALYSIS OF LASING PERFORMANCES OF Yb3+-DOPED YAG, FAP, KYW CRYSTALS

The Yb³⁺ laser emitting at a 1.03μm wavelength has been evoking strong interest recently due to its advantages of long fluorescence lifetime, broad absorption band and the fact that it never shows concentration quenching. On the other hand, as a laser of three-level system it has, in general, a relatively high threshold power, which makes it important to seek some suitable host crystals to reduce this. Here, we present a comparison of the lasing performances of Yb³⁺-doped YAG [Y₃Al₅O₁₂], FAP [Ca₅(PO₄)₃F] and KYW [KY(WO₄)₂] crystals, including threshold power and slope efficiency, with those of the Nd:YAG laser based on the threshold formula of three-and four-level systems deduced by the authors. The results show that the Yb³⁺ laser can output a power larger than the Nd:YAG laser does in the case of comparably higher pumping power, if the length of the lasing rod and the concentration of the active ions satisfy some conditions. The theoretical results are also close to the experimental results reported.     

摩擦阻力与软笔书法入门

1 书法教学之玄处书法入门往往从点画开始,有了笔画之基础奢望字型的间架结构和布局规律.但不管是名师如何把关指点还是学生怎样勤奋,各动作到位,例如,逆推,翻转,顺按,转峰等.全按要求做,挑不出毛病,总有部分入门者,做出来的笔画是软软的.老师称之为不实,无力.学生发问,何以为实,何以有力,则告之应稳键涩行,又问何以涩行,则告之,只可意会不能言传、由学生凭悟性自悟,何以悟法则无法,遂成教之悟处,学之玄处.     

Local hydrated structure of an Fe2+/Fe3+ aqueous solution: an investigation using a combination of molecular dynamics and X-ray absorption fine structure methods

The hydrated shell of both Fe2+ and Fe3+ aqueous solutions are investigated by using the molecular dynamics (MD) and X-ray absorption structure (XAS) methods. The MD simulations show that the first hydrated shells of both Fe2+ and Fe3+ are characterized by a regular octahedron with an Fe-O distance of 2.08 for Fe2+ and 1.96 for Fe3+, and rule out the occurrence of a Jahn-Teller distortion in the hydrated shell of an Fe2+ aqueous solution. The corresponding X-ray absorption near edge fine structure (XANES) calculation successfully reproduces all features in the XANES spectra in Fe2+ and Fe3+ aqueous solution. A feature that is located at energy 1 eV higher than the white line (WL) in an Fe3+ aqueous solution may be assigned to the contribution of the charge transfer.     

Atomic structure and collision dynamics with highly charged ions

The research progresses on the investigations of atomic structure and collision dynamics with highly charged ions based on the heavy ion storage rings and electron ion beam traps in recent 20 years are reviewed. The structure part covers test of quantum electrodynamics and electron correlation in strong Coulomb field studied through dielectronic recombination spectroscopy and VUV/x-ray spectroscopy. The collision dynamics part includes charge exchange dynamics in ion-atom collisions mainly in Bohr velocity region, ion-induced fragmentation mechanisms of molecules, hydrogen-bound and van de Waals bound clusters, interference, and phase information observed in ion-atom/molecule collisions. With this achievements, two aspects of theoretical studies related to low energy and relativistic energy collisions are presented. The applications of data relevant to key atomic processes like dielectronic recombination and charge exchanges involving highly charged ions are discussed. At the end of this review, some future prospects of research related to highly charged ions are proposed.     

Host dependent thermal stability and frequency upconversion of Er^3＋-doped heavy metal oxyfluoride germanate glasses

The upconversion properties of Er^3＋-doped heavy metal oxyfluoride germanate glasses under 975 nm excitation have been investigated. The intense green （551 and 529 nm） and relatively weak red （657 nm） emissions corresponding to the transitions ^4S3/2→^4I15/2, ^2H11/2→^4 I15/2 and ^4F9/2 →^4I15/2, respectively, were simultaneously observed at room temperature. The content of PbF2 has an important influence on the upconversion luminescence emission. With increasing content of PbF2, the intensities of green （529 nm） and red （657 nm） emissions increase slightly, while the green emission （551 nm） increases markedly. These results suggest that PbF2 has an influence on the green （551 nm） emission more than on the green （529 nm） and red （657 nm） emissions.     

Effect of Cu doping on the magnetic and electrical properties of n=2 Ruddlesden-Popper manganates

A series of polycrystalline Cu-doped n=2 Ruddlesden-Popper manganates La1.2Sr1.8CuzMn（2-x）O7 （x=0, 0.04, 0.13） were synthesized by the solid state reaction method. The effect of Cu doping on the magnetic and transport properties has been studied. It is found that Cu substitution for Mn greatly affects the magnetic and electrical properties of the parent phase La1.2Sr1.8Mn2O7. With the increase of Cu content, the system undergoes a transition from longrange ferromagnetic order to the spin glass state and further to an antiferromagnetic order. A little of Cu dopant can lead to the samples showing semiconductor or insulator behaviour in the whole observed temperature range while the parent phase has a metal-insulator transition. These samples show colossal magnetoresistance at low temperatures and the value of it decreases with increasing Cu content.     

卤化铅调整Tm3+/Yb3+共掺碲酸盐玻璃上转换发光研究

研究了卤化铅调整Tm3+/Yb3+共掺碲酸盐玻璃的热稳定性能、Raman光谱和上转换发光光谱,分析了Tm3+/Yb3+共掺氧卤碲酸盐玻璃的上转换发光机理.结果发现:混合卤化铅调整Tm3+/Yb3+共掺碲酸盐玻璃具有好的热稳定性能、低的声子能量、强的上转换蓝光.这表明混合卤化铅调整Tm3+/Yb3+共掺碲酸盐玻璃是一种上转换蓝光激光器的潜在基质材料.     

一种蛇毒金属蛋白样品的XAS研究

测试一种含锌蛇毒金属蛋白Acutolysin A不同pH值环境下的XAS曲线,实验结果表明不同的pH值对样品的结构有一定的影响.EXAFS模拟的结果显示,该蛋白晶体PDB数据的精度不足以给出金属离子的精细局域结构.而利用不含氢原子的Cluster从头计算拟合出的XANES谱同样与实验谱有一定的差别,说明氢原子对XANES的贡献不可忽略.实验还发现X射线辐照对样品的损伤较小.