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31.
Florio M. Ciaglia Fabio Di Cosmo Alberto Ibort Giuseppe Marmo 《Entropy (Basel, Switzerland)》2020,22(11)
The evolution of states of the composition of classical and quantum systems in the groupoid formalism for physical theories introduced recently is discussed. It is shown that the notion of a classical system, in the sense of Birkhoff and von Neumann, is equivalent, in the case of systems with a countable number of outputs, to a totally disconnected groupoid with Abelian von Neumann algebra. The impossibility of evolving a separable state of a composite system made up of a classical and a quantum one into an entangled state by means of a unitary evolution is proven in accordance with Raggio’s theorem, which is extended to include a new family of separable states corresponding to the composition of a system with a totally disconnected space of outcomes and a quantum one. 相似文献
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固体氧化物燃料电池的翘曲会影响电极-盖板界面的接触情况,从而影响电化学性能,对相关制造工艺提出了很大的挑战.为了分析燃料电池平面度对放电过程的影响,揭示其潜在的风险,我们建立了两个基于有限元法的仿真模型,对考虑平面度缺陷的燃料电池封装和放电进行分析.在对固体氧化物燃料电池进行平面度测量的基础上,首先建立了具有真实燃料电池翘曲特性的几何模型,分析封装过程中接触压力的分布情况.然后将接触电阻的仿真结果导入到三维多物理场耦合模型中,模拟具有平面度缺陷的燃料电池电化学性能.计算结果展示了燃料电池两侧封装过程中接触压力的分布情况.通过对比有接触电阻和无接触电阻的燃料电池电流密度,分析了电池与盖板的接触对放电过程的影响.结果表明,燃料电池的凹陷面较难达到满意的接触状态,需要比凸起面更大的封装压力.燃料电池表面接触电阻的变化将引起电流传导路径的变化,产生局部高电流或低电流.这项工作强调了在燃料电池中保持均匀分布的接触电阻的重要性,为今后的优化工作奠定了基础. 相似文献
36.
Yuhua Long 《Journal of Difference Equations and Applications》2020,26(7):966-986
In the present paper, we apply the method of invariant sets of descending flow to establish a series of criteria to ensure that a second-order nonlinear functional difference equation with periodic boundary conditions possesses at least one trivial solution and three nontrivial solutions. These nontrivial solutions consist of sign-changing solutions, positive solutions and negative solutions. Moreover, as an application of our theoretical results, an example is elaborated. Our results generalize and improve some existing ones. 相似文献
37.
We consider the random‐cluster model (RCM) on with parameters p∈(0,1) and q ≥ 1. This is a generalization of the standard bond percolation (with edges open independently with probability p) which is biased by a factor q raised to the number of connected components. We study the well‐known Fortuin‐Kasteleyn (FK)‐dynamics on this model where the update at an edge depends on the global geometry of the system unlike the Glauber heat‐bath dynamics for spin systems, and prove that for all small enough p (depending on the dimension) and any q>1, the FK‐dynamics exhibits the cutoff phenomenon at with a window size , where λ∞ is the large n limit of the spectral gap of the process. Our proof extends the information percolation framework of Lubetzky and Sly to the RCM and also relies on the arguments of Blanca and Sinclair who proved a sharp mixing time bound for the planar version. A key aspect of our proof is the analysis of the effect of a sequence of dependent (across time) Bernoulli percolations extracted from the graphical construction of the dynamics, on how information propagates. 相似文献
38.
ABSTRACTInteractions of cycloheptatriene derivatives, C7H6X, (X?=?NH, PH, AsH, O, S, Se) with the cations H+, CH3+, Cu+, Al+, Li+, Na+, and K+ are studied using B3LYP functional and 6-311++G(d,p) basis set. The calculated gas-phase cation affinities (CA) and cation basicities (CB) for all molecules decrease as H+ > CH3+ > Cu+ > Al+ > Li+ > Na+ > K+. We used the induced aromaticity in the 7-membered ring of C7H6X upon interaction with the cations, M+, as a measure of C7H6X/M+ interaction. Nucleus-independent chemical shift (NICS) and harmonic oscillator model of aromaticity (HOMA) were used as two indices of aromaticity. The highest and lowest induced aromaticities were observed for interactions of H+ and K+, respectively. Also, the aromaticity induced by interaction with a cation in C7H6AsH and C7H6PH was larger than that in C7H6NH and C7H6O. Hence, the aromaticity was considered as a measure of covalency for the C7H6X/M+ interactions showing a rational dependence on both the molecule and cation. The nature of the interactions was also assessed using electron density, charge distribution analysis and NBO calculations. The results of the aromaticity indices, NICS and HOMA, were compared with the electron density and NBO results. 相似文献
39.
采用密度泛函理论的B3LYP, B3P86, B1B95, P3PW91和PBE1PBE方法结合SDD, LANL2DZ和CEP-121G基组计算了d~(10)组态二聚物MN(M=Ga, Ge, In, Sn和Sb; N=M和Al)的几何结构.采用B3P86/SDD进一步研究了MN@H_2O团簇的几何结构及吸附能.结果表明,水分子结合在二聚物M_2上时,对二聚物影响较大,对水分子自身影响较小.将M_2中Ga, Ge, In, Sn或Sb替换一个原子为Al时,水分子在GeAl和SnAl上的吸附能变化较大,而在GaAl, InAl和SbAl上吸附能变化较小.另外, H_2O吸附在Ga, Ge, In, Sn和Sb上时,与吸附在Al上时,吸附能的变化不大. 相似文献
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