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21.
A Markov observation model with dividend is defined and the interpretation of the practical significance is given. We try to use an irreducible and homogeneous discrete-time Markov chain to modulate the inter-observation times and embed a dividend strategy. In the Markov observation model with dividend, a system of liner equations for the expected discounted value of dividends until ruin time is derived. Moreover, an explicit expression is obtained and proved. Finally, some interesting properties are illustrated by numerical analysis and by comparing with the complete compound binomial model with dividend. 相似文献
22.
Simulated annealing‐based optimal control over tunneling process through SDWP and Eckart barrier: A momentum basis representation 下载免费PDF全文
Srijeeta Talukder Pinaki Chaudhury Subhasree Ghosh 《International journal of quantum chemistry》2017,117(15)
For a reaction to proceed via tunneling mechanism, it is essential that the reactants will cross the potential barrier (EP), where its initial energy (E0) is below the potential barrier EP. Tunneling probability τ is defined as the probability of having momentum higher than km, where . In the momentum basis representation, τ can be directly calculated by integrating from the limit km to infinity, where is the wave function in the momentum space. Instead of the continuous basis, if we chose momentum grid space, τ can be expressed as . Our target here is to increase this τ by applying a polychromatic field, so that the reaction rate can be enhanced. By applying Simulated Annealing technique we have designed some polychromatic electric fields, spatially symmetric and asymmetric type, which enhances the tunneling rate in symmetric double well system and Eckart barrier confined in an infinite well. 相似文献
23.
Efficient protocol for quantum Monte Carlo calculations of hydrogen abstraction barriers: Application to methanol 下载免费PDF全文
Ellen T. Swann Michelle L. Coote Amanda S. Barnard Manolo C. Per 《International journal of quantum chemistry》2017,117(9)
Accurate calculation of hydrogen abstraction reaction barriers is a challenging problem, often requiring high level quantum chemistry methods that scale poorly with system size. Quantum Monte Carlo (QMC) methods provide an alternative approach that exhibit much better scaling, but these methods are still computationally expensive. We describe approaches that can significantly reduce the cost of QMC calculations of barrier heights, using the hydrogen abstraction of methanol by a hydrogen atom as an illustrative example. By analysing the combined influence of trial wavefunctions and pseudopotential quadrature settings on the barrier heights, variance, and time‐step errors, we devise a simple protocol that minimizes the cost of the QMC calculations while retaining accuracy comparable to large‐basis coupled cluster theory. We demonstrate that this protocol is transferable to other hydrogen abstraction reactions. 相似文献
24.
《Angewandte Chemie (International ed. in English)》2017,56(12):3374-3378
A benzo‐fused double [7]carbohelicene (D7H) was synthesized through a regioselective cyclodehydrogenation of a tetranaphthyl‐p ‐terphenyl‐based precursor. The twisted (D7H‐1) and anti ‐folded (D7H‐2) conformers of D7H were separated by recrystallization, and their double helicene structures with overlapping terminal benzene rings were unambiguously elucidated by X‐ray crystallography. A record‐high isomerization barrier (46.0 kcal mol−1) in double helicenes was estimated based on density functional theory (DFT) calculation, which resulted in the excellent conformational stability of D7H. The physicochemical properties of D7H‐1 and D7H‐2 were investigated by UV/Vis absorption spectroscopy and cyclic voltammetry, displaying the variation of electronic structure upon conformational changes. The optical resolution of the racemic D7H‐1 was carried out by chiral HPLC, offering enantiopure D7H‐1‐(P ,P ) and D7H‐1‐(M ,M ), which were further characterized by circular dichroism spectroscopy. 相似文献
25.
Rui Shen Zhiqing Meng Chuangyin Dang Min Jiang 《Numerical Functional Analysis & Optimization》2017,38(11):1473-1489
In this paper, an algorithm of barrier objective penalty function for inequality constrained optimization is studied and a conception–the stability of barrier objective penalty function is presented. It is proved that an approximate optimal solution may be obtained by solving a barrier objective penalty function for inequality constrained optimization problem when the barrier objective penalty function is stable. Under some conditions, the stability of barrier objective penalty function is proved for convex programming. Specially, the logarithmic barrier function of convex programming is stable. Based on the barrier objective penalty function, an algorithm is developed for finding an approximate optimal solution to an inequality constrained optimization problem and its convergence is also proved under some conditions. Finally, numerical experiments show that the barrier objective penalty function algorithm has better convergence than the classical barrier function algorithm. 相似文献
26.
Yujie Wang Rong Wen Dongdong Liu Chen Zhang Zhuo A. Wang Yuguang Du 《Molecules (Basel, Switzerland)》2021,26(8)
Intestinal barrier dysfunction is an essential pathological change in inflammatory bowel disease (IBD). The mucus layer and the intestinal epithelial tight junction act together to maintain barrier integrity. Studies showed that chitosan oligosaccharide (COS) had a positive effect on gut health, effectively protecting the intestinal barrier in IBD. However, these studies usually focused on its impact on the intestinal epithelial tight junction. The influence of COS on the intestinal mucus layer is still poorly understood. In this study, we explored the effect of COS on intestinal mucus in vitro using human colonic mucus-secreted HT-29 cells. COS relieved DSS (dextran sulfate sodium)-induced mucus defects. Additionally, the structural characteristics of COS greatly influenced this activity. Finally, we evaluated the protective effect of COS on intestinal barrier function in mice with DSS-induced colitis. The results indicated that COS could manipulate intestinal mucus production, which likely contributed to its intestinal protective effects. 相似文献
27.
This article considers a problem of evaluating barrier option prices when the underlying dynamics are driven by stochastic elasticity of variance (SEV). We employ asymptotic expansions and Mellin transform to evaluate the option prices. The approach is able to efficiently handle barrier options in a SEV framework and produce explicitly a semi-closed form formula for the approximate barrier option prices. The formula is an expansion of the option price in powers of the characteristic amplitude scale and variation time of the elasticity and it can be calculated easily by taking the derivatives of the Black–Scholes price for a barrier option with respect to the underlying price and computing the one-dimensional integrals of some linear combinations of the Greeks with respect to time. We confirm the accuracy of our formula via Monte-Carlo simulation and find the SEV effect on the Black–Scholes barrier option prices. 相似文献
28.
Weimin Hou Li Chen Maoyou Yang Mingjian Zhang Junmei Wang Jiakuo Shi Shuo Su Duo Zhang Hongping Wu 《Annalen der Physik》2023,535(7):2300061
Based on the first-principles calculation, the effect of intercalated LiF on the contact characteristics of the interface between Au electrode and MoS2 layer is studied. It is found that adding LiF film can change the contact type between metal electrode Au and MoS2 layer from Schottky contact to ohmic contact, which is accompanied by interfacial charge transfer from LiF layer to MoS2 layer and the downward movement of d (dxy and dz2) orbital of Mo atom and p (px and py) orbital of S atom to Fermi level. And the interlayer spacing between LiF layer and Au electrode has a great impact on the interface contact characteristics. The electric field effect and stress effect of interface contact of Au, LiF and MoS2 (Au/LiF/MoS2)is more obvious than that of interface contact of Au and MoS2 (Au/MoS2). Au/LiF/MoS2 shows ohmic contact with the interlayer spacing between Au layer and LiF layer less than 3.05 Å and with the electric field less than 0.15 VÅ−1, respectively, while Au/MoS2 still shows N-type Schottky contact. These findings are helpful to control the contact resistance and have guiding significance for high performance MoS2 field effect transistor and other electronic components. 相似文献
29.
基于光电倍增管研制了一套无触发信号的双通道光学探测系统, 并组装了测试样机, 实现了对沿面介质阻挡放电(SDBD)等离子体约化电场的测量, 进而通过BOLSIG+软件获得了电子能量. 采用原位紫外吸收光谱和傅里叶变换红外光谱, 研究了SDBD等离子体在不同电压和频率下的化学产物的浓度变化, 并结合空气等离子体化学反应揭示了产物相互作用的微观机理. 结果表明, 电子能量能够改变电子碰撞反应的速率系数, 调控化学反应的源头活性粒子的浓度, 进而影响到化学产物的生成和猝灭. 相似文献
30.
本文通过简单的一步水热法得到Ni2P-NiS双助催化剂,之后采用溶剂蒸发法将Ni2P-NiS与g-C3N4纳米片结合构建获得无贵金属的Ni2P-NiS/g-C3N4异质结。研究结果表明,优化后的复合材料具有良好的光催化产氢活性,其产氢速率最高可到6892.7 μmol·g-1·h-1,分别为g-C3N4 (150 μmol·g-1·h-1)、15%NiS/g-C3N4 (914.5 μmol·g-1·h-1)和15%Ni2P/g-C3N4 (1565.9 μmol·g-1·h-1)的46.1、7.5和4.4倍。这主要归因于Ni2P-NiS相比Ni2P和NiS单体具有更好的载流子转移能力,其与g-C3N4形成的肖特基势垒能有效促进光生载流子在二者界面上的分离,同时Ni2P-NiS能进一步降低析氢过电势,进而显著增强了表面析氢反应动力学。本研究为开发稳定、高效的非贵金属产氢助剂提供了实验基础。 相似文献