Electron Spin Resonance Studies of Mn^2＋ in Freshwater Snail Shells： Pomacea Canaliculata Lamarck and Fossilized Snail Shell

We study paramagnetic Mn^2 ions present in the nowadays shells of univalve freshwater snails of Pomacea canaliculata lamarck (PCL) and the fossilized freshwater snail (FFS), Viviparus. All these shells are abundant in Thailand. The PCL shells were ground into fine powder. A set of seven samples were then separately annealed for 2 h in air atmosphere at different annealing temperatures while the FFS powder was characterized as-received. The PCL shells mainly consist of aragonite and a fraction of calcite. The heat treatments of the PCL powder samples at temperature higher than 450℃ resulted in an irreversible phase transformation from aragonite to calcite. However, it is found that the FFS shell is mainly made of calcite, with a minor fraction of aragonite. The crystal structure of the high-temperature-annealed PCL samples are quite similar to that of FFS, which indicates that the metamorphosis (aragonite→calcite) in the FFS shell had occurred but was not yet completed, although it had remained under the pressure and temperature of the Earth‘s crusts over millions of years. Our detailed ESR spectral analyses of PCL and FFS show that Mn^2 ions enter the Ca^2 sites during a biomineralization process. Simulated ESR parameters of PCL-500 of Mn^2 at a uniaxial site of calcite are reported. It is surprising to And that the ratio of Mn^2 concentration present in FFS to those in PCL shells evaluated from ESR spectra is as much as 10:1.     

溴分子[^2Π3／2]4d里德堡态的转动谱的计算模拟

对溴分子在６８８００－７２００ｃｍ＾－１范围内的两个被观察到的［＾２Π３／２］４ｄ偶宇称里堡态的转动光谱进行了计算模拟，确定了转动常数，并且证实了原先对实验光谱的传动结构和电子角动量的标识。     

量子计算与超冷离子

通过介绍量子计算的基本概念和特点，并对比目前人们使用的计算机的计算方式，对于如何利用囚禁在离子阱中的超冷离子进行量子计算作了简要的叙述．     

三维流动传热空隙率计算程序FASTOR—3D开发研究

1引言大粘度（大r）和大系数（ss和sc）法是处理流动区域中障碍物的常用方法山。但当流动区域中障碍物数量较多时，宜采用空隙率来模拟障碍物，如模拟反应堆流动传热的商用程序COMMIX［’］。我们根据空隙率模拟的基本概念，针对采用交错网格的压力校正法，自行编制了多障碍物流动传热三维计算的全部源程序代码，应用于某核反应堆钠池流动传热的数值模拟，获得了比较合理的结果。2数学模型和数值方法2．1控制方程空隙率修整的质量、动量、能量及湍流动能与耗散率的守恒方程通式的三维柱坐标形式为其中中一1，。，。，。，T，k，。分别表…     

四则运算速算法简介

速算法，就是灵活运用数学运算的特性、原理和规律，把各种要计算的较繁杂的数，合理改变其计算程序和方法，使之简化，以便迅速计算出结果（得数）的方法。熟练地掌握各种速算法，就能提高计算速度的技巧，从而提高工作和学习效率，对加快社会主义现代化建设有重大意义和作用。     

SUN5500小型机MPI编程与蕴式并行计算的实现方法

基于SUN5500小型计算机并行开发环境，给出了消息传递模型和蕴式行模型的实现方法，通过实例分析了SUNMPI实际编程，并对选取不同模型有不同参数的运算时间进行了比较，结果表明，在SUN5500计算机上MPI模型和蕴式并行模型均能较大地提高运算速度，而且MPI在灵活性和并行程度方面更优。     

分叉问题的几何描述及其计算方法

本文通过一个构造的向量场,建立了非线性代数方程组的解流形与对应向量场的不变流形之间的等价关系,把解流形的分叉问题转化为对向量场奇点附近局部性态的研究。这种思路具有几何直观性,并为解流形的跟踪与分叉计算提供了一套新的数值方法。     

静电减速透镜能量分析器的数值计算

用表面电荷密度法计算了能量分析器中静电减速透镜的电位分布,有基尔法对电子轨迹进行了模拟,在电子能量为20keV时,得到分析器的能量分辨为1.0eV;讨论了束径、入射角、透镜第三电极孔径对能量分辨的影响;并对个别实验结果论作了补充.     

准粒子注入下超导膜能隙变化的一些计算

利用 Schn-Tremblay 理论计算了 Pb、Sn 超导薄膜在注入准粒子且注入电压很小(ev<2△(?))时的能隙微小增加的效应.同时,把此理论扩展到 ev>>2△_i 的大电压情况,计算出能隙明显减小及超导-正常混合态的结果.