Prediction of methane adsorption content in continental coal-bearing shale reservoir using SLD model

Shale gas, as an important unconventional resource, has drawn global attention. It is mainly composed of adsorption gas and free gas. Adsorption gas content could play an important guiding role on both the selection of favorable perspective area and the exploration and exploitation of shale gas resources. In order to accurately measure adsorption gas content, a new approach was established to predict the adsorption isotherm of methane on shale. Based on the simplified local-density (SLD) method, both the adsorption isotherms of illite, illite/smectite mixed-layer, cholorite and type III kerogen and the total shale rock could be well fitted. The fitting results show good coincidences with the true experimental test data, which proves the method is reasonable and dependable and the prediction results are effective and credible. In addition, the good simulation results show that the SLD parameters can reflect the pore structure characteristics and corresponding adsorption characteristics of the shale samples, which can be used for the quantitative characterization of shale pore system.     

基于不相似性度量优化的密度峰值聚类算法

密度峰值聚类（clustering by fast search and find of density peaks,简称DPC）是一种基于局部密度和相对距离属性快速寻找聚类中心的有效算法.DPC通过决策图寻找密度峰值作为聚类中心,不需要提前指定类簇数,并可以得到任意形状的簇聚类.但局部密度和相对距离的计算都只是简单依赖基于距离度量的相似度矩阵,所以在复杂数据上DPC聚类结果不尽如人意,特别是当数据分布不均匀、数据维度较高时.另外,DPC算法中局部密度的计算没有统一的度量,根据不同的数据集需要选择不同的度量方式.第三,截断距离d_c的度量只考虑数据的全局分布,忽略了数据的局部信息,所以d_c的改变会影响聚类的结果,尤其是在小样本数据集上.针对这些弊端,提出一种基于不相似性度量优化的密度峰值聚类算法（optimized density peaks clustering algorithm based on dissimilarity measure,简称DDPC）,引入基于块的不相似性度量方法计算相似度矩阵,并基于新的相似度矩阵计算样本的K近邻信息,然后基于样本的K近邻信息重新定义局部密度的度量方法.经典数据集的实验结果表明,基于不相似性度量优化的密度峰值聚类算法优于DPC的优化算法FKNN-DPC和DPC-KNN,可以在密度不均匀以及维度较高的数据集上得到满意的结果;同时统一了局部密度的度量方式,避免了传统DPC算法中截断距离d_c对聚类结果的影响.     

掺镧抑制氟化钡晶体闪烁光慢成分的机理研究

运用局域密度近似的Ｈａｒｔｒｅｅ－Ｆｏｃｋ－Ｓｌａｔｅｒ理论和嵌入分子集团的方法分别对氟化钡（ＢａＦ２）和掺镧氟化钡（ＢａＦ２：Ｌａ＾３＋）的能级结构进行了计算，发现掺Ｌａ对抑制ＢａＦ２晶体闪烁光慢成分的直接原因可能并非Ｌａ本身，而是由它所引入的填隙氟离子（Ｆ＾－１）。