Effect of temperature on the interactions between cellulose and lignin via molecular dynamics simulations

Cellulose - Heating is essential in various biomass pre-treatments and thermal conversion processes. It is of practical significance to study the characteristics of cellulose-lignin and...     

高校图情档族群的科研竞争力测评 ——基于结构化指数方法的研究

以高校图情档族群为观察对象,基于个体研究者视角,构建了结构化指数测评方法,从全国、省市和高校等3个维度,展开了科研竞争力结构优势度测评.结构化指数方法能够扫描并揭示高校图情档族群的科研竞争力结构优势度,可揭示科研竞争力优势群体的数量及分布特征,可进行族群科研竞争力优势度对比测评,具有易操作性和数据敏感性,后续研究可从测评因子、测评维度、竞争力转换路径和机制等方面进行拓展.     

动力学模态分解方法重构及预测流场误差分析

利用动力学模态分解(dynamic mode decomposition,DMD)方法可以实现非定常流场的分解、重构和预测,但该方法重构和预测流场的误差需要给出定量分析.鉴于此,提出了定量描述动力学模态分解重构和预测流场的误差分析方法,以雷诺数Re=80的圆柱绕流二维流场数值模拟结果为例,研究了非线性流动和周期性流场重构和预测误差的动态变化情况.结果表明:依据能量大小确定的模态反映了流场的主要相干结构;低频、低增长/衰减率和大尺度的相干结构能量占比大,对流场的影响较大;DMD方法可以准确重构非线性和周期性变化流场,重构的误差小于10-10,预测流场的误差较重构流场出现跳跃增大现象;DMD方法预测非线性变化流场的误差在样本时间区间内较小(小于10-3),超出样本区间误差的发展急剧增大,变化情况依赖于数据样本;预测周期性流场的误差稳定在10-4左右.     

Fluid‐structure coupling of linear elastic model with compressible flow models

Cavitation erosion is caused in solids exposed to strong pressure waves developing in an adjacent fluid field. The knowledge of the transient distribution of stresses in the solid is important to understand the cause of damaging by comparisons with breaking points of the material. The modeling of this problem requires the coupling of the models for the fluid and the solid. For this purpose, we use a strategy based on the solution of coupled Riemann problems that has been originally developed for the coupling of 2 fluids. This concept is exemplified for the coupling of a linear elastic structure with an ideal gas. The coupling procedure relies on the solution of a nonlinear equation. Existence and uniqueness of the solution is proven. The coupling conditions are validated by means of quasi‐1D problems for which an explicit solution can be determined. For a more realistic scenario, a 2D application is considered where in a compressible single fluid, a hot gas bubble at low pressure collapses in a cold gas at high pressure near an adjacent structure.     

Ni~(26+)离子态分辨光复合过程的R矩阵理论研究

利用基于相对论R矩阵理论的DARC程序系统计算了Ni 25+离子基态1s22s(2S1/2)和激发态1s22p(2P1/2,2P3/2)的光电离截面,并通过细致平衡原理获得了统一的光复合过程(即辐射复合和双电子复合)态分辨的截面,计算结果给出了辐射复合与双电子复合过程间的干涉效应.为了标识和分析KLL共振能区所有的共振峰,基于相对论组态相互作用理论(RCI)的FAC程序被用来计算共振峰的能量、强度及其相关的双激发态的辐射、俄歇跃迁几率以及共振宽度等.利用统一的光复合截面进一步得到了KLL双电子复合过程的伴线强度,并与孤立共振近似下FAC的计算结果以及以前的理论和实验结果进行了比较,对存在的一致性和偏差进行了分析和讨论.     

Terahertz radiation from pentacene organic diode at room temperature

We investigate terahertz radiation(T-rays) from a pentacene organic diode at room temperature. The quantum chemistry calculation for frequency-related Huang–Rhys factor of pentacene is also carried out. The results demonstrate that the T-rays can come from a bending vibration of pentacene skeleton after the energy of pentacene exciton transferring to the vibrational excited state via electron–phonon coupling. Frequency and natural bond orbital analytics of pentacene and its derivatives are performed in order to explain the result and develop new materials to get higher emission. This work provides a new way to produce T-rays with a simple device at room temperature.     

Portfolio Selection and Risk Control for an Insurer With Uncertain Time Horizon and Partial Information in an Anticipating Environment

Methodology and Computing in Applied Probability - This paper is devoted to the study of an optimal investment and risk control problem for an insurer. The risky asset process and the insurance...     

基于期刊阅读群划分的期刊服务探索——以北京青年政治学院图书馆为例

新媒体时代的到来,使图书馆传统的期刊服务面临着新的挑战。为更好地做好期刊服务,分析了期刊阅读群各自的特点,探讨了基于期刊阅读群划分的期刊服务,包括面向教学科研期刊阅读群的深层次服务、面向学生阶段性阅读群的引导型服务以及面向休闲浅阅读群的灵活性服务。     

Measured and Predicted Solubility Phase Diagrams of Quaternary Systems LiBr-NaBr-MgBr2-H2O and LiBr-KBr-MgBr2-H2O at 298.15 K

The stable phase equilibria of quaternary systems LiBr-NaBr-MgBr₂-H₂O and LiBr-KBr-MgBr₂-H₂O at 298.15 K were studied by both experimental measurement(isothermal solution saturation method) and theoretical prediction(Pitzer model). The solubilities of the saturated solution have been determined experimentally and two stable phase diagrams and relevant water diagrams of the two quaternary systems were obtained. Results show that quaternary system LiBr-NaBr-MgBr₂-H₂O is hydrate II type as NaBr and NaBr·2H₂O coexistence. Its phase diagram consists of only one invariant point, four univariant curves, and five crystallization fields. The quaternary system LiBr-KBr-MgBr₂-H₂O is a complex type as the double salt KBr·MgBr₂·6H₂O formed. In addition to this double salt, the three single salts LiBr·2H₂O, KBr and MgBr₂·6H₂O also crystallize. In this paper, the solubilities of phase equilibria in above quaternary systems were also calculated by the Pitzer's electrolyte solution model. All the needed parameters can be obtained from the literature or be fitted by experimental data. On the Basis of the experimental and calculated results, the phase diagram of the quaternary system was plotted for comparison. It shows that the calculation results are consistent with the experimental ones.