Search results for "Number"
showing 10 items of 3939 documents
The accuracy of molecular dipole moments in standard electronic structure calculations
2000
Abstract A systematic investigation has been carried out of the accuracy of calculated molecular equilibrium dipole moments of 11 polar closed-shell molecules, using the HF, MP2, CCSD and CCSD(T) models and correlation-consistent basis sets. Augmented basis sets are important for improving the basis-set convergence, but the quality of the results depends more on the correlation treatment than on the cardinal number of the basis set. Augmented triple-zeta basis sets are sufficient for most calculations. The mean absolute error of the HF calculations is 0.16 D, which is reduced at the MP2 and CCSD levels to 0.048 and 0.025 D, respectively. The CCSD(T) errors are small – typically
Improved composite materials for rechargeable lithium metal polymer batteries
1999
Abstract The performance of several polymer electrolytes for lithium metal batteries for electric vehicle applications are reported. The best performing electrolyte is the composite PEO 20 LiCF 3 SO 3 –γLiAlO 2 , which was prepared by a solvent-free procedure. It showed coulombic efficiency values of the lithium deposition–stripping process of 94%–96%. Electrochemical tests of lithium polymer battery (LPB) prototypes based on a 3 V LiMn 2 O 4 composite cathode material laminated together with the PEO 20 LiCF 3 SO 3 –γLiAlO 2 electrolyte gave promising results for electric vehicle applications. Even under non-optimized battery design, the prototypes delivered, at the C/3 rate and at 94°C, 40…
Vidzemes Lielais Zviedru Kadastrs kā saimniecības vēstures avots
1942
Kadastrs - sistematizēti kādu zemes vai ūdens nogabalu vai citu objektu dati; ar nodokļiem apliekamo zemju saraksts un novērtējums pilsētās un laukos. Zemes kadastru sāka ar zemes uzmērīšanu un vērtēšanu, vienlaikus veicot muižu redukciju, atsavinot lielāko daļu muižas zemju, kuras nodeva Zviedrijas valsts pārziņā. Tas bija labi izstrādāts kadastrs, un to izmantoja no 1691. līdz 1911. gadam, t. i., 220 gadus. Tas pasaulē ir samērā mazpazīstams, un tagadējās Latvijas un Igaunijas teritorijā tam bija tikai lokāla nozīme. Muižu redukcija .17. gs. 2. pusē, pieaugot absolūtisma tendencēm Eiropā, Zviedrijas karalis Kārlis XI (Karl XI) centās nostiprināt varu visā valstī. Viens no pasākumiem bija …
Application of the 3-D boundary element method to delaminated composite structures
2013
A three-dimensional boundary element model for anisotropic solids is presented to study the fracture mechanics behavior of delaminated composite structures. The multi-domain technique is implemented to model the layered configurations and the cracks occurring at bi-material interface. The Modified Crack Closure Integral technique is implemented to characterize the fracture mechanics behavior of delaminations in terms of the total energy release rate and mode mix phase angles. Validating analyses, performed on different delaminated configurations, have shown the effectiveness of the proposed approach. Moreover, some original results are presented to investigate the effects of the stacking se…
Choosing Optimal Seed Nodes in Competitive Contagion.
2019
International audience; In recent years there has been a growing interest in simulating competitive markets to find out the efficient ways to advertise a product or spread an ideology. Along this line, we consider a binary competitive contagion process where two infections, A and B, interact with each other and diffuse simultaneously in a network. We investigate which is the best centrality measure to find out the seed nodes a company should adopt in the presence of rivals so that it can maximize its influence. These nodes can be used as the initial spreaders or advertisers by firms when two firms compete with each other. Each node is assigned a price tag to become an initial advertiser whi…
A Derivation of the Vlasov-Stokes System for Aerosol Flows from the Kinetic Theory of Binary Gas Mixtures
2016
In this short paper, we formally derive the thin spray equation for a steady Stokes gas, i.e. the equation consists in a coupling between a kinetic (Vlasov type) equation for the dispersed phase and a (steady) Stokes equation for the gas. Our starting point is a system of Boltzmann equations for a binary gas mixture. The derivation follows the procedure already outlined in [Bernard-Desvillettes-Golse-Ricci, arXiv:1608.00422 [math.AP]] where the evolution of the gas is governed by the Navier-Stokes equation.
On the Non-uniform Redundancy in Grammatical Evolution
2016
This paper investigates the redundancy of representation in grammatical evolution (GE) for binary trees. We analyze the entire GE solution space by creating all binary genotypes of predefined length and map them to phenotype trees, which are then characterized by their size, depth and shape. We find that the GE representation is strongly non-uniformly redundant. There are huge differences in the number of genotypes that encode one particular phenotype. Thus, it is difficult for GE to solve problems where the optimal tree solutions are underrepresented. In general, the GE mapping process is biased towards short tree structures, which implies high GE performance if the optimal solution requir…
Computation of Unstable Binodals Not Requiring Concentration Derivatives of the Gibbs Energy
1998
The equilibrium of three liquid phases in a binary mixture implies the existence of tie lines and binodals that are different from the normal experimentally observable ones. First of all, there are the metastable extensions of the binodal built up by S/S tie lines. These S/S tie lines fulfill the equilibrium condition of the minimum of the Gibbs energy of the entire two-phase system. Both coexisting phases are located within the meta(stable) region. There are two additional types of tie lines: U/U (maximum of the Gibbs energy; both end points within the unstable area) and U/S tie lines (saddle point; one end point within the (meta)stable, the other within the unstable region). All types of…
Critical end point behaviour in a binary fluid mixture
1997
We consider the liquid-gas phase boundary in a binary fluid mixture near its critical end point. Using general scaling arguments we show that the diameter of the liquid-gas coexistence curve exhibits singular behaviour as the critical end point is approached. This prediction is tested by means of extensive Monte-Carlo simulations of a symmetrical Lennard-Jones binary mixture within the grand canonical ensemble. The simulation results show clear evidence for the proposed singularity, as well as confirming a previously predicted singularity in the coexistence chemical potential [Fisher and Upton, Phys. Rev. Lett. 65, 2402 (1990)]. The results suggest that the observed singularities, particula…
Splittings of Toric Ideals
2019
Let $I \subseteq R = \mathbb{K}[x_1,\ldots,x_n]$ be a toric ideal, i.e., a binomial prime ideal. We investigate when the ideal $I$ can be "split" into the sum of two smaller toric ideals. For a general toric ideal $I$, we give a sufficient condition for this splitting in terms of the integer matrix that defines $I$. When $I = I_G$ is the toric ideal of a finite simple graph $G$, we give additional splittings of $I_G$ related to subgraphs of $G$. When there exists a splitting $I = I_1+I_2$ of the toric ideal, we show that in some cases we can describe the (multi-)graded Betti numbers of $I$ in terms of the (multi-)graded Betti numbers of $I_1$ and $I_2$.