Temperaturabhängigkeit der Gleichgewichtsspreitungsdrucke homologer Lezithine an der Grenzfläche n-Heptan/0,1 M NaCl

Ohne ZusammenfassungMit 1 Abbildung und 1 Tabelle     

Understanding the preferential adsorption of CO2 over N2 in a flexible metal-organic framework

The unusual uptake behavior and preferential adsorption of CO(2) over N(2) are investigated in a flexible metal-organic framework system, Zn(2)(bdc)(2)(bpee), where bpdc = 4,4'-biphenyl dicarboxylate and bpee = 1,2-bis(4-pyridyl)ethylene, using Raman and IR spectroscopy. The results indicate that the interaction of CO(2) with the framework induces a twisting of one of its ligands, which is possible because of the type of connectivity of the carboxylate end group of the ligand to the metal center and the specific interaction of CO(2) with the framework. The flexibility of the bpee pillars allows the structure to respond to the twisting, fostering the adsorption of more CO(2). DFT calculations support the qualitative picture derived from the experimental analysis. The adsorption sites at higher loading have been identified using a modified van der Waals-Density Functional Theory method, showing that the more energetically favorable positions for the CO(2) molecules are closer to the C═C bond of the bpee and the C-C bond of the bpdc ligands instead of the benzene and pyridine rings of these ligands. These findings are consistent with changes observed using Raman spectroscopy, which is useful for detecting both specific guest-host interactions and structural changes in the framework.     

Spin dynamics from majorana fermions

Using the Majorana fermion representation of spin-1/2 local moments, we show how the dynamic spin correlation and susceptibility are obtained directly from the one-particle Majorana propagator. We illustrate our method by applying it to the spin dynamics of a nonequilibrium quantum dot, computing the voltage-dependent spin relaxation rate and showing that, at weak coupling, the fluctuation-dissipation relation for the spin of a quantum dot is voltage dependent. We confirm the voltage-dependent Curie susceptibility recently found by Parcollet and Hooley [Phys. Rev. B 66, 085315 (2002)]].     

A unified analysis for a class of long-step primal-dual path-following interior-point algorithms for semidefinite programming

We present a unified analysis for a class of long-step primal-dual path-following algorithms for semidefinite programming whose search directions are obtained through linearization of the symmetrized equation of the central pathH _P (XS) [PXSP ^–1 + (PXSP ^–1) ^T ]/2 = I, introduced by Zhang. At an iterate (X,S), we choose a scaling matrixP from the class of nonsingular matricesP such thatPXSP ^–1 is symmetric. This class of matrices includes the three well-known choices, namely:P = S ^1/2 andP = X ^–1/2 proposed by Monteiro, and the matrixP corresponding to the Nesterov—Todd direction. We show that within the class of algorithms studied in this paper, the one based on the Nesterov—Todd direction has the lowest possible iteration-complexity bound that can provably be derived from our analysis. More specifically, its iteration-complexity bound is of the same order as that of the corresponding long-step primal-dual path-following algorithm for linear programming introduced by Kojima, Mizuno and Yoshise. © 1998 The Mathematical Programming Society, Inc. Published by Elsevier Science B.V.Corresponding author.This author's research is supported in part by the National Science Foundation under grants INT-9600343 and CCR-9700448 and the Office of Naval Research under grant N00014-94-1-0340.This author's research was supported in part by DOE DE-FG02-93ER25171-A001.