Differential Entropy and Dynamics of Uncertainty

We analyze the functioning of Gibbs-type entropy functionals in the time domain, with emphasis on Shannon and Kullback-Leibler entropies of time-dependent continuous probability distributions. The Shannon entropy validity is extended to probability distributions inferred from L ²(R ⁿ ) quantum wave packets. In contrast to the von Neumann entropy which simply vanishes on pure states, the differential entropy quantifies the degree of probability (de)localization and its time development. The associated dynamics of the Fisher information functional quantifies nontrivial power transfer processes in the mean, both in dissipative and quantum mechanical cases. PACS NUMBERS: 05.45.+b, 02.50.-r, 03.65.Ta, 03.67.-a     

Error estimation,adaptivity and data transfer in enriched plasticity continua to analysis of shear band localization

In this paper, an adaptive FE analysis is presented based on error estimation, adaptive mesh refinement and data transfer for enriched plasticity continua in the modelling of strain localization. As the classical continuum models suffer from pathological mesh-dependence in the strain softening models, the governing equations are regularized by adding rotational degrees-of-freedom to the conventional degrees-of-freedom. Adaptive strategy using element elongation is applied to compute the distribution of required element size using the estimated error distribution. Once a new mesh is generated, state variables and history-dependent variables are mapped from the old finite element mesh to the new one. In order to transfer the history-dependent variables from the old to new mesh, the values of internal variables available at Gauss point are first projected at nodes of old mesh, then the values of the old nodes are transferred to the nodes of new mesh and finally, the values at Gauss points of new elements are determined with respect to nodal values of the new mesh. Finally, the efficiency of the proposed model and computational algorithms is demonstrated by several numerical examples.     

Fabrication and transport properties of multiwall carbon nanotube crossroads

A multiwall carbon nanotube crossroads has been fabricated by a manipulation technique using a glass microcapillary, and the low temperature transport properties investigated. The two-terminal conductance of an individual tube shows Tomonaga–Luttinger liquid behavior G∝T^α at high temperature and dI/dV ∝V ^α at low temperature. However, no evidence of such a power-law behavior is obtained in the four-terminal conductance at the junction, where the conductance shows an almost metallic behavior ‘corrected’ by weak localization. Weak localization would essentially appear in electron states at the junctions of MWNTs.     

Addendum and Corrigendum to "Local Saturation of Conservative Operators'

In this note we make a correction in the paper [1] by two of the authors. Specifically we modify an auxiliary localization result and prove that the applications to the saturation theory of some outstanding conservative operators remain valid. Moreover, we enrich a corollary dealing with the well-known Szász-Mirakjan operators. This revised version was published online in June 2006 with corrections to the Cover Date.     

On the deformation and fracture of porous materials

The constitutive behavior of porous materials (including the yield loci, the void growth rate, the macro stress-strain relation and the strain to localization instability) is examined based on the lower bound approach proposed by the present authors. These results are then compared with the experimental and the finite element results as well as those predicted by Gurson's equations. Emphasis is placed on approaching the real behavior from the upper and the lower bound analysis. Calculation is also made on the influence of void nucleation on the critical strain to instability and a modified strain-controlled nucleation criterion is proposed. Finally the instability and fracture of AISI4340 steel in plane strain tension is examined and comparison is made between theoretical and experimental results.     

On locating low altitude moving targets using a planar acoustic sensor array

It is of engineering importance to locate low altitude moving targets with acoustic methods due to the blindness of the traditional radar detecting. In this paper, an algorithm for locating low altitude moving targets is put forward based on a five-element planar acoustic sensor array. The method is realized through estimations of the sensor-to-sensor time delays of the source signal generated by the low altitude moving target. The angle and range estimation performance of the proposed method are analyzed, respectively, both in theoretical and numerical sense.     

Multinuclear magnetic resonance study of some mesoionic oxatriazoles containing nitrogenous exocyclic groups

¹H,¹³C,¹⁴N and¹⁵N NMR measurements are reported for four mesoionic 1-oxa-2, 3, 4-triazoles containing exocyclic nitrogenous groups. The NMR signal assignments are discussed and compared with those previously published for some corresponding oxatriazoles. The results obtained support the proposed cyclic mesoionic structures for the compounds studied. The questions of possible charge delocalization and valence tautomerism are addressed. Compound with N^– H as a exocyclic group (Fig. 1) is found to be relatively unstable, this is attributed to proton migration in the corresponding non-cyclic form of this molecule.Published in Khimiya Geterotsikiicheskikh Soedinenii, No. 9, pp. 1260–1263, September, 1995.     

Comparison of localization and delocalization indices obtained with Hartree-Fock and conventional correlated methods: effect of Coulomb correlation

Atomic populations and localization [lambda(A)] and delocalization [delta(A,B)] indices (LIs and DIs) are calculated for a large set of molecules at the Hartree-Fock (HF), MP2, MP4(SDQ), CISD, and QCISD levels with the 6-311++G(2d,2p) basis set. The HF method and the conventional correlation methods [MP2, MP4(SDQ), CISD, and QCISD] yield distinct sets of LIs and DIs. Yet, within the four conventional correlation methods the differences in atomic populations and LIs and DIs are small. Relative to HF, the conventional correlation methods [MP2, MP4(SDQ), CISD, QCISD] yield virtually the same LIs and DIs for molecules with large charge separations while LIs and DIs that differ significantly from the HF values--the LIs are increased and DIs decreased--are obtained for bonds with no or small charge separations. Such is the case in the archetypal homopolar molecules HC(triple bond)CH, H2C=CH2, CH3-CH3, and "protonated cyclopropane" C(3)H(7) (+), in which case the bonding may be atypical. Relative to HF, the typical effect of the conventional correlation methods is to decrease the DI between atoms.     

Elektronenlokalisierung im Grundzustand und in angeregten Zuständen Pars-Orbital-Methode, 12. Mitt

UsingGleason's theorem the pars orbital concept is developed for excited states of conjugated systems described by CI-methods. A significance index is introduced to evaluate different patterns of fragmentation. The usefulness of this approach is illustrated for butadiene, biphenyl, naphthalene, and azulene.

11. Mitt.:H. Karpf, O. E. Polansky undM. Zander, Tetrahedron Lett.1978, 2069.