Thermodynamic properties of gold–water nanolayer mixtures using molecular dynamics

The physical behavior of a fluid in contact with solid layers is still not fully understood. The present work focuses on the study and understanding of thermodynamic and structural properties of gold–water nanolayer mixtures using molecular dynamics simulations. Two different systems are considered, where approximately 1,700 water molecules are confined between gold nanolayers with separations of 7.4 and 6.2 nm, respectively. Novelties of the present work are in the use of accurate force fields for modeling the inter- and intra-molecular interactions of the components, and providing comprehensive thermodynamic properties of the mixtures. The results are validated by examination of the pure fluid and pure solid properties. Results indicate that the thermodynamics of the system does not behave as an ideal mixture. The structure of the pure fluid is also analyzed and compared against the structure of the confined fluid in the mixture. Anisotropicity is observed in the fluid structure close to the surface of the nanolayer. Higher ordering and higher flux are detected in the fluid molecules close to the fluid–solid interface. Unusual thermodynamic behavior, anisotropicity, liquid layering, and higher interfacial fluid flux could be just some of the factors leading to the enhanced energy transport observed in mixtures involving at least one nanoscale component, such as nanofluids.     

A new approach to irreversibility from maximum entropy estimation

This paper deals with the study of some irreversible processes like slow heating of a thermodynamic system or of inhomogeneity, i.e. spatially local equilibrium in it, based on the principle of maximum entropy estimation, in a stochastic model.     

Theory of Ordered Spaces¶II. The Local Differential Structure

In this paper we investigate the conditions under which the ordered spaces defined in [1] are locally diffeomorphic to ℝ ^N . In Sect.~1 we give an introduction and an overview of the results. In Sect. 2 we show that the axioms of [1] do not suffice to make light rays locally homeomorphic to ℝ. We introduce this structure via the new connectedness axiom 2.13, and work out some of its immediate consequences. In Sect. 3 we give the (somewhat involved) construction of timelike curves in a D-set, which are basic to everything that follows. They are used in Sect. 4 to prove (i) a nested interval theorem for ordered spaces; (ii) the contractibility of order intervals in D-sets; and (iii) that order intervals in D-sets are star-shaped. The notion of D-countability (meaning that a D-set has a countable base in the subspace topology) is introduced in Sect. 5. The Urysohn lemma shows that a D-countable ordered space is locally metrizable. If this space is also locally compact, then it has finite topological dimension N; these results are established in Sect. 6. The local differential structure now follows from known results: the embedding of such spaces in ℝ^{2 n +1}, and the result that an open star-shaped region in ℝ ⁿ is diffeomorphic to ℝ ⁿ . In conclusion, we exhibit these inclusions in Fig. 3, and suggest the possibility that Wigner's position on the “Unreasonable effectiveness of mathematics in the natural sciences” may be open to reasonable doubt. The axioms of [1] are given in the Appendix. Received: 26 November 1997 / Accepted: 10 February 1999     

The Spearman footrule and a Markov chain property

An equivalent representation of the Spearman footrule is considered and a characterization in terms of a Markov chain is established. A martingale approach is thereby incorporated in the study of the asymptotic normality of the statistics.     

Effect of electron inertia on large amplitude solitary waves in presence of kinematic viscosity in dusty plasma

Nonlinear dust acoustic solitary waves in a dusty plasma are studied for nonzero kinematic viscosity. Sagdeev’s potential can be obtain upto any order in ϕ. The existence of soliton solution is determined by pseudopotential approach. It is seen that the electron inertia has a significant effect on the existence of solitary waves in presence of kinematic viscosity.     

Status ofV ub measurement with BELLE detector

Semileptonic decays ofB →X _u lv have great importance both from theoretical and experimental point of view, as they are useful for extracting the magnitude ofV _ub, one of the tiniest elements of CKM matrix. Similarly measurement ofB √ D_s×_u can be used to calculateV _ub The Belle Collaboration has measured these branching ratios and extractedV _ub for various theoretical models.     

Fisher-Shannon plane and statistical complexity of atoms

Using the Hartree-Fock non-relativistic wave functions in the position and momentum spaces, the statistical measure of complexity C, due to López-Ruiz, Mancini, and Calbet for the neutral atoms as well as their monopositive and mononegative ions with atomic number Z=1-54 are reported. In C, given by the product of exponential power Shannon entropy and the average density, the latter is then replaced by the Fisher measure to obtain the Fisher-Shannon plane. Our numerical results suggest that in overall the Fisher-Shannon plane reproduces the trends given by C, with significantly enhanced sensitivity in the position, momentum and the product spaces in all neutral atoms and ions considered.     

An efficient and green process for the synthesis of 5-methyl-2-nitrobenzoic acid

Research on Chemical Intermediates - A new and environmental friendly nitration process of methyl 3-methylbenzoate by mixtures of HNO3/Ac2O for the synthesis of 5-methyl-2-nitrobenzoic acid has...     

Modeling and analysis of an agent-based model for Chinese stock market

We constructed an agent-based stock market model which concisely describe investors? heterogeneity and adaptability by introducing price sensitivity and feedback time. Under different parameters, the peak and fat-tail property of return distribution is produced and the obtained statistic values coincide with empirical results: the center peak exponents range from ?0.787 to ?0.661, and the tail exponents range from ?4.29 to ?2.37. Besides, long-term correlation in volatility is examined by DFA1 method, and the obtained exponent α is 0.803, which also coincides with the exponent of 0.78 found in real market.     

Similarity orbits in the Calkin algebra

Let B(H) be the algebra of all bounded linear operators on a complex separable infinite dimensional Hilbert space H.Denote by π the quotient map of B(H) onto the Calkin algebra A(H).In 1984,Apostol et al.raised the following conjecture:If an operator T on H is not similar to a compact perturbation of a Jordan operator,then the similarity orbit of π(T) in A(H) coincides with the π-image of the similarity orbit of T.In this paper,we investigate the structure of similarity orbits in the Calkin algebra and give...