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The true potential energy curves for the electronic ground states of astrophysically important AlH and CaH molecules are constructed by the Rydberg-Klein-Rees method. Empirical potential functions, of three-parameters by Lippincott, of five-parameters by Hulburt and Hirsch-felder and, of electronegativity by Szöke and Baitz, are examined for the adequacy to represent the true curve. From the best-fitting function, the dissociation energiesD 0 0 of AlH and CaH molecules are estimated to be 2.99 ± 0.08 and 2.72 ± 0.06 eV respectively. The force constants indicate that these values are of correct magnitude. 相似文献
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Fragmentation measurements in the form of sieve passing and mass fraction data were used to test the capability of three different distributions to fit the observed data over a wide range in fragment size and mass. These distributions were based on Rosin-Rammler, lognormal and simple sigmoidal (S-shaped) functions, having 2 input parameters for the single-component versions and 5 input parameters for the two-component versions. Provided convergence was achieved in the non-linear curve-fitting technique, the two-component versions always provided superior fits to the observed data. However, these versions were very sensitive to variations in the values chosen for the input parameters. In this particular regard, the two-component sigmoidal function was the most robust. The present results also show that the two-component lognormal function provided the best fit to the fragmentation data in a general sense, and the two-component Rosin-Rammler function provided the worst fit. However, there was not a significant difference between any of the three methods. 相似文献
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当前设计年径流的计算,一般都采用适线法做参数估计.考虑到适线法是以水文序列独立性为前提.而实际的年径流序列存在一定的相关关系,对此,应用适线法估计到底精度如何?本文采用AR(1)模型生成符合P-Ⅲ分布的非独立样本,以参数、设计值的无偏性和有效性为评价标准,通过大量蒙特卡罗试验,对以上问题进行了研究.结果表明,在总体参数值Cv、Cs较小的地区,自相关系数即使达到0.5,对估计效果的影响也很小,但对于Cv、Cs较大的地区,自相关系数的增大会使估计效果趋于负偏.本文同时也对Cv、Cs、点据比例、序列长以及保证率等的变化对设计值无偏性、有效性存在的综合影响趋势进行了分析.希望对实际生产实践有一定的指导意义. 相似文献
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振荡流层移输沙条件下悬沙层泥沙扩散系数垂向分布特征研究 总被引:1,自引:0,他引:1
层移输沙是海岸带泥沙运动的主要形式之一,其垂向悬沙浓度分布规律的研究一直是海岸工程关心的重点。一般情况下,经典的纯扩散模型被用来描述和解释悬沙浓度的试验数据,该模型认为周期平均悬沙浓度主要由参考浓度、泥沙沉速和泥沙扩散系数确定。泥沙扩散系数可以由泥沙沉速和悬沙浓度的垂向梯度反演得到。既往研究大多直接给出泥沙扩散系数的结果,对于不同反演计算方法间结果差别的研究较少。本研究汇总了已有振荡流层移输沙试验数据,采用曲线拟合方法和直接差分方法计算了相应的泥沙扩散系数,研究表明两种方法得到的计算结果在垂向位置z 0.15 m处差异不大,随着垂向位置的升高,差分方法的计算结果略微大于拟合方法。考虑到拟合方法可以得到连续的泥沙扩散系数垂向分布,本研究推荐使用幂函数形式的曲线拟合方法求解悬移泥沙扩散系数。基于此,对比分析了层移输沙悬沙层泥沙扩散系数随泥沙粒径、振荡流周期、均方根流速和振荡流类型等物理参数的变化规律。在纯振荡流层移输沙条件下,泥沙扩散系数随泥沙粒径的增大而增大,而振荡流周期和均方根流速几乎不影响泥沙扩散系数。在振荡流和定常流共同作用下,泥沙扩散系数受振荡流周期和定常流流速的影响,泥沙扩散系数随着振荡流周期的增大或定常流流速的减小而增大。 相似文献
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煤红外光谱的精细解析及其煤化作用机制 总被引:1,自引:0,他引:1
应用傅立叶红外光谱(FTIR)分析技术,采用计算机曲线拟合方法对红外光谱进行分峰处理,通过对自然演化系列和人工模拟实验系列样品的研究,定量分析了不同煤化程度煤的红外光谱特征。研究表明,煤的红外光谱在一定程度上可以定量表征煤化作用程度。含氧基团和烷基侧链随煤化程度的增高以不同的速度发生脱落,且脱落的速度具有明显的阶段性:羧基的减少主要发生在Rmax为0.5%之前,但可以持续到肥煤阶段;脂肪基团的脱落主要发生在沥青化作用阶段内,并导致生成大量的烃类,沥青化作用之前发生的脂肪基团的脱落是煤的未熟和低熟油形成的主要原因;在沥青化阶段之后的高演化阶段,煤中的烷基侧链已经脱落殆尽,芳环缩合程度明显提高。红外光谱的分峰技术和定量,为精细解析煤的结构特征和煤化作用研究提供了一种新的方法。 相似文献
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李可 《物探化探计算技术》2007,(Z1)
曲线拟合是目前数据处理的基本方法之一,通过在微机上用Visual Basic语言编制程序,将实验数据使用最小二乘曲线拟合,构造一个最佳通用多项式拟合模型。再利用得到的函数关系实现对原子荧光光谱仪的实验数据进行多次曲线拟合与仿真,以扩大仪器的测量范围。 相似文献
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Viacheslav G. Makarov Oleg V. Zaytsev Valentina D. Budaeva Felipe Salinas-Gonzalez 《Journal of Oceanography》2008,64(5):675-690
A unified method of approximation, extrapolation, and objective layering is offered for processing vertical oceanographic
profiles. The method is demonstrated using seawater density and consists of adjustable splitting of each individual profile
into N vertical layers based on tentative, piecewise linear homogeneous approximation with specified accuracy and a final fitting
of an N-layered analytical model to data. A set of 3N coefficients of the model includes one density value at the sea surface; N−1 depths of layer interfaces; and N pairs of coefficients that describe a profile shape within the n-th layer—an asymptotic density value (a key parameter for extrapolation) and a vertical scale of maximum density variability
(related to vertical gradient). Several distinctive characteristics of the technique are: (1) It can be used for the analysis
of the vertical structure of individual profiles when N is an unknown parameter, and spatial interpolation when N should be equal for all profiles. (2) A justified downward extrapolation of incomplete data is possible with the model, especially
if historical deepwater profiles are available. (3) Layer interfaces, as well as other coefficients, are derived with only
one fitting to the entire profile. (4) The technique, using its general formulation, can serve as a parent for developing
various types of models. The simpler step-like (with hyperbolic or exponential approximation) and more complicated smooth
(continuous in gradient space) models were designed and tested against a large number of density profiles from the Sea of
Okhotsk and the Gulf of California. Comparison of parametric, z-levels and isopycnal averaging was done for the region off the northeastern coast of Sakhalin. 相似文献