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51.
运用第一性原理的密度泛函理论,结合非平衡格林函数,研究了氮原子取代掺杂手性单壁(6,3)碳纳米管的电子结构和输运特性.计算结果表明:不同构形和不同数目的氮原子取代掺杂对手性碳管的输运性质有很复杂的影响.研究发现,氮原子掺杂明显改变了碳管的电子结构,使金属型手性碳管的输运性能降低,电流-电压曲线呈非线性变化,而且输运性能随着杂质原子间间距的变化而发生显著改变.在一定条件下,金属型碳管向半导体型转变.
关键词:
手性单壁碳纳米管
氮掺杂
电子结构
输运性能 相似文献
52.
One important problem faced by the liner shipping industry is the fleet deployment problem. In this problem, the number and type of vessels to be assigned to the various shipping routes need to be determined, in such a way that profit is maximized, while at the same time ensuring that (most of the time) sufficient vessel capacity exists to meet shipping demand. Thus far, the standard assumption has been that complete probability distributions can be readily specified to model the uncertainty in shipping demand. In this paper, it is argued that such distributions are hard, if not impossible, to obtain in practice. To relax this oftentimes restrictive assumption, a new distribution-free optimization model is proposed that only requires the specification of the mean, standard deviation and an upper bound on the shipping demand. The proposed model possesses a number of attractive properties: (1) It can be seen as a generalization of an existing variation of the liner fleet deployment model. (2) It remains a mixed integer linear program and (3) The model has a very intuitive interpretation. A numerical case study is provided to illustrate the model. 相似文献
53.
In this work, we will take the standard Gaussian measure as the reference measure and study the variation of optimal transport maps in Sobolev spaces with respect to it; as a by-product, an inequality which gives a precise link between the variation of entropy, Fisher information between source and target measures, with the Sobolev norm of the optimal transport map will be given. As applications, we will construct strong solutions to Monge–Ampère equations in finite dimension, as well as on the Wiener space, when the target measure satisfies the strong log-concavity condition. A result on the regularity on the optimal transport map on the Wiener space will be obtained. 相似文献
55.
蜡分子扩散过程是在热和质的广义热力学"力"耦合驱动下产生广义热力学"流"的结果,其实质是传热和传质同时存在的复杂耦合不可逆过程.基于非平衡态热力学的基本原理,推导出含蜡原油管输过程蜡分子扩散热质传递的线性唯象方程组;依据质量和能量的守恒关系,得到蜡分子扩散的传热一传质微分方程组,利用拉普拉斯变换求解到其解析解,探讨促使蜡分子扩散的动力学原因,分析输量和季节变化的不同工况对扩散速率的影响. 相似文献
56.
为了均衡终端区扇区的工作负荷,保障扇区边界的合理性,研究了终端扇区的划分方法.针对建立的扇区划分数学模型,提出了3阶段的划分方法.首先,采用voronoi图和遗传算法完成初始划分,实现均衡负荷的目标;其次,提出了基于voronoi图和基于maklink图的2种扇区二次划分方法,满足最小飞行时间及最小距离约束;最后,应用分段线性拟合的方法消除扇区边界的锯齿状,以及满足扇区凸形约束.以广州终端为例进行了仿真计算.应用提出的方法,给出了2种划分结果,都能够使得各扇区的工作负荷在2880s以内,差值不超过350s,扇区边界较为平滑,且计算时间明显减少.仿真计算结果说明方法是可行和有效的,也为使用者提供了灵活的选择. 相似文献
57.
Wei LIU 《应用数学学报(英文版)》2011,(4)
In this paper,based on the recent results of Gozlan and Léonard we give optimal transportationentropy inequalities for several usual distributions on R,such as Bernoulli,Binomial,Poisson,Gamma distributions and infinitely divisible distributions with positive or negative jumps. 相似文献
58.
59.
Robert Ehrlich 《Physics in Perspective (PIP)》2006,8(1):83-89
I compare the theory of intelligent design to string theory to see on what basis, if any, only the former can be justifiably
excluded as being scientific.We shall see that the classic criterion of testability or falsifiability is sometimes not so
straightforward, and that there are other criteria to help us make such a distinction. 相似文献
60.
This paper formulates a model for finding a minimum cost routing in a network for a heterogeneous fleet of ships engaged in pickup and delivery of several liquid bulk products. The problem is frequently encountered by maritime chemical transport companies, including oil companies serving an archipelago of islands. The products are assumed to require dedicated compartments in the ship. The problem is to decide how much of each product should be carried by each ship from supply ports to demand ports, subject to the inventory level of each product in each port being maintained between certain levels that are set by the production rates, the consumption rates, and the storage capacities of the various products in each port. This important and challenging inventory constrained multi-ship pickup–delivery problem is formulated as a mixed-integer nonlinear program. We show that the model can be reformulated as an equivalent mixed-integer linear program with special structure. Over 100 test problems are randomly generated and solved using CPLEX 7.5. The results of our numerical experiments illuminate where problem structure can be exploited in order to solve larger instances of the model. Part II of the sequel will deal with new algorithms that take advantage of model properties. 相似文献