突出矿井瓦斯抽放限制影响因素的AHP-熵权法评价模型

为提高煤与瓦斯突出矿井瓦斯抽放效果,建立了3个一级指标、14个二级指标的突出矿井瓦斯抽放限制影响因素评价指标体系,利用AHP和熵权法分别确定指标因子主、客观权重.通过实地调研分析和反馈验证了AHP-熵权法的可行性和正确性,利用加权平均法确定评价模型的综合权重.研究表明:封孔方式、钻孔半径、抽放时间、煤体裂隙发育程度和抽放负压是目前影响煤矿瓦斯抽放效果的主控因素.     

改进型单晶炉提拉系统偏心平衡研究

随着光伏行业的快速发展, 对硅单晶的品质和长晶装备的稳定性的要求也不断提高。直拉法是生产硅单晶的主要方法,通过提高单晶炉副室的高度以扩大单晶硅的生产规模。由于副室高度的大幅增加,且单晶炉提拉头质心相对于旋转轴心有一定距离,对单晶炉整体稳定性有较大影响,从而降低了单晶硅的生产质量。针对此问题,对单晶炉建立可靠的力学分析模型,采用数值仿真方法,对单晶炉整体进行动力学响应分析,计算得到副室高度增加后的单晶炉工作时中钨丝绳下端晶棒的运动规律以及最大摆动幅度,为改进设计提供依据。数值仿真分析表明提高单晶炉副室高度后,提拉头较大的质心偏心是单晶炉提拉系统发生摆动的主要原因。在此基础上提出在提拉头上添加质心调节装置,通过控制系统调节可保证提拉头质心位置在旋转轴线上以降低提拉系统的摆动。     

Generalized Jacobi spectral Galerkin method for fractional pantograph differential equation

This work is concerned with the extension of the Jacobi spectral Galerkin method to a class of nonlinear fractional pantograph differential equations. First, the fractional differential equation is converted to a nonlinear Volterra integral equation with weakly singular kernel. Second, we analyze the existence and uniqueness of solutions for the obtained integral equation. Then, the Galerkin method is used for solving the equivalent integral equation. The error estimates for the proposed method are also investigated. Finally, illustrative examples are presented to confirm our theoretical analysis.     

Computational and dynamic NMR investigation of 2,2-dimesityl-1,1,1,3,3,3-hexamethyltrisilane

The structure and rotational barrier for the mesityl-silicon bond of 2,2-dimesityl-1,1,1,3,3,3-hexamethyltrisilane have been investigated by ¹H- and ¹³C-variable temperature nuclear magnetic resonance (NMR) as well as by density functional theory structural calculations. The calculations show that the lowest energy structure has C₂ symmetry with nonequivalent ortho methyl groups, consistent with the crystal structure and solution NMR. The nonequivalent ortho methyl groups exchange through a C_s transition state with a calculated relative free energy of 11.0 kcal mol⁻¹. The barrier for this rotation found by dynamic NMR is 13.4 ± 0.2 kcal mol⁻¹ at 298 K.     

An inequality connecting entropy distance,Fisher Information and large deviations

In this paper we introduce a new generalisation of the relative Fisher Information for Markov jump processes on a finite or countable state space, and prove an inequality which connects this object with the relative entropy and a large deviation rate functional. In addition to possessing various favourable properties, we show that this generalised Fisher Information converges to the classical Fisher Information in an appropriate limit. We then use this generalised Fisher Information and the aforementioned inequality to qualitatively study coarse-graining problems for jump processes on discrete spaces.     

Dynamic Interactions in Synthetic Receptors: A Guest Exchange Saturation Transfer Study

The accumulated knowledge regarding molecular architectures is based on established, reliable, and accessible analytical tools that provide robust structural and functional information on assemblies. However, both the dynamicity and low population of noncovalently interacting moieties within studied molecular systems limit the efficiency and accuracy of traditional methods. Herein, the use of a saturation transfer-based NMR approach to study the dynamic binding characteristics of an anion to a series of synthetic receptors derived from bambusuril macrocycles is demonstrated. The exchange rates of BF₄⁻ are mediated by the side chains on the receptor (100 s⁻¹<k_ex<5000 s⁻¹), which play a critical role in receptor-anion binding dynamics. The signal amplification obtained with this approach allows for the identification of different types of intermolecular interactions between the receptor and the anion, something that could not have been detected by techniques hitherto used to study molecular assemblies. These findings, which are supported by a computational molecular dynamic study, demonstrate the uniqueness and added value of this NMR method.     

一种新的岩石非线性黏弹塑性蠕变模型研究

为了克服传统元件组合模型不能描述岩石蠕变过程中非线性特征的缺陷，首先根据加速蠕变阶段的应变和应变率随蠕变时间急剧增大的特点，建立黏塑性应变与蠕变时间的指数函数关系并提出非线性黏塑性体．将该非线性黏塑性体与广义Burgers蠕变模型串联，建立可以描述岩石全蠕变过程的非线性黏弹塑性蠕变模型，根据叠加原理得到一维应力状态下的轴向蠕变方程．然后基于塑性力学理论指出岩石三维蠕变本构方程建立过程中的不足之处，并给出非线性黏弹塑性蠕变模型合理的三维蠕变方程．最后采用不同应力水平下砂岩轴向蠕变试验对模型合理性进行验证，结果表明：拟合曲线与试验曲线吻合度较高，所建蠕变模型能够很好地描述砂岩在不同应力水平下的蠕变变形规律，尤其对加速蠕变阶段的非线性特征描述效果很好，验证了模型的合理性．