晶体微观结构的数值计算

晶体微观结构是晶体材料在特定物理条件下其多个能量极小平衔态在空间形成的某种微尺度的规则分布．几何非线性的连续介质力学理论可以用能量极小化原理来解释晶体微观结构的形成，并用Young测度来刻画平衡态各变体在空间的概率分布．定性的理解与定量地分析和计算晶体材料的微观结构对于发展和改进高级晶体功能材料，如形状记忆合金、铁电体、磁至伸缩材料等，有重要的意义．本文回顾了近年来晶体微观结构数值计算方面的最新进展．介绍了计算晶体微观结构的几种数值方法及有关的数值分析结果。     

Compression Behaviour of Ni77P23 Amorphous Alloy up to 30.5 GPa

The compression behaviour of Ni77P23 amorphous alloy is investigated at room temperature in a diamond-anvil cell instrument using in-situ high pressure energy dispersive x-ray diffraction with a synchrotron radiation source. The equation of state is determined by fitting the experimental data according to the Birch-Murnaghan equation. It is found that the structure of Ni77P23 amorphous alloy is stable under pressures up to 30.5 GPa. Within the pressure range from zero to the experimental one, the pressure-induced structural relaxation is reversible.     

Spin-Polarized Tunnelling Magnetoresistance Effects in La0.833K0.167MnO3／SrTiO3 Polycrystalline Perovskite Manganites

A sample of La0.833K0.167MnO3-SrTiO3 (LKMO/STO) is fabricated by the sol-gel method. The microstructure,magnetic and transportation properties have been studied. X-ray diffraction patterns indicate that the structure of LKMO/STO is a homogeneous solid solution phase. The resistivity of LKMO/STO shows the insulator behaviour, which is different from La0.833K0.167MnO3 (LKMO) whose resistivity shows metal-insulator transition with decreasing temperature. The low-field (moH = 0.02 T) magnetoresistance decreases from 11% to 0.2% with the increasing temperature from 4 K‘to 220K for the LKMO/STO sample. The magnitude of magnetoresistance in a strong field (μoH = 5.5 T) almost increases linearly with decreasing temperature and reaches the maximum of 65% at the low temperature of 4.2K, which is much higher than that oE LKMO (40%). The enhanced low-field magnetoresistance effects are quantitatively explained by the spin-polarized tunnelling at grain boundaries.     

珠心算排积法论

二、3乘(一)本个数位乘数0246813579本个数0628439517(二)进数位乘数0123456789本个数0000111222(三)位积位积=本个+后进(允许够10数)合成位积的训练最好先用一笔清,然后再用脑算盘清理。有够10进位用“左手”。够10进位多数是后数有3与6的地方。例13×37,269........｜｜｜｜｜｜｜｜｜｜虚半替半｜｜｜｜｜｜｜｜｜｜}}够4进1够7进23×37269=0117073进03本个9,7进2,为17本个12本个6,6进1,为76本个8,9进2,为09本个7脑算盘清理为111,807。例23×68,194脑算盘清理为204,582。例33×94,762例43×29,507三、4乘(一)本个数位乘数0246813579本个…     

求解极限环的谱展开法

提出了一种求解自治非线性常微分方程周期解的方法－谱展开法，它直接把解形式上写成Ｆｏｕｒｉｅｒ级数，其频率和各谐波成份待定，而将原非线性微分方程问题变换成求解相应的非线性代数方程组，还以ａｖｎ ｄｅｒ Ｐｏｌ方程和神经元群平均场方程为例对该方法进行说明和讨论。     

层次分析中广义最小偏差法的性质

广义最小偏差法（GLDM）是层次分析中一种重要的排序方法．本文讨论了广义最小偏差法的性质和灵敏度分析问题．     

矩阵对角相似的图论判别法

本文证明了任意两个ｎ阶复矩阵Ａ和Ｂ为对角相似的充要条件是：它们有相同的伴随有向图，并且以此有向图为基础有向图，以Ａ和Ｂ的对应非零元素比值为弧权值的赋权有向图满足“无向圈平衡条件”。我们还给出了矩阵对角相似条件在非负矩阵谱理论研究中的一个应用。     

法沃尔斯基（FavorskiiAE）重排新进展

本文介绍了近年来法沃尔斯基重排反应在手性药物，立方烷系，杂环衍生物环烷小合成中的最新动态有应用前景。