20 resultados para Link rearrangement

em Chinese Academy of Sciences Institutional Repositories Grid Portal


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We have developed the formula and the numerical code for calculating the rearrangement contribution to the single particle (s.p.) properties in asymmetric nuclear matter induced by three-body forces within the framework of the Brueckner theory extended to include a microscopic three-body force (TBF). We have investigated systematically the TBF-induced rearrangement effect on the s.p. properties and their isospin-behavior in neutron-rich nuclear medium. It is shown that the TBF induces a repulsive rearrangement contribution to the s.p. potential in nuclear medium. The repulsion of the TBF rearrangement contribution increases rapidly as a function of density and nucleon momentum. It reduces largely the attraction of the BHF s.p. potential and enhances strongly the momentum dependence of the s.p. potential at large densities and high-momenta. The TBF rearrangement effect on symmetry potential is to enhances its repulsion (attraction) on neutrons (protons) in dense asymmetric nuclear matter.

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Classical fracture mechanics is based on the premise that small scale features could be averaged to give a larger scale property such that the assumption of material homogeneity would hold. Involvement of the material microstructure, however, necessitates different characteristic lengths for describing different geometric features. Macroscopic parameters could not be freely exchanged with those at the microscopic scale level. Such a practice could cause misinterpretation of test data. Ambiguities arising from the lack of a more precise range of limitations for the definitions of physical parameters are discussed in connection with material length scales. Physical events overlooked between the macroscopic and microscopic scale could be the link that is needed to bridge the gap. The classical models for the creation of free surface for a liquid and solid are oversimplified. They consider only the translational motion of individual atoms. Movements of groups or clusters of molecules deserve attention. Multiscale cracking behavior also requires the distinction of material damage involving at least two different scales in a single simulation. In this connection, special attention should be given to the use of asymptotic solution in contrast to the full field solution when applying fracture criteria. The former may leave out detail features that would have otherwise been included by the latter. Illustrations are provided for predicting the crack initiation sites of piezoceramics. No definite conclusions can be drawn from the atomistic simulation models such as those used in molecular dynamics until the non-equilibrium boundary conditions can be better understood. The specification of strain rates and temperatures should be synchronized as the specimen size is reduced to microns. Many of the results obtained at the atomic scale should be first identified with those at the mesoscale before they are assumed to be connected with macroscopic observations. Hopefully, "mesofracture mechanics" could serve as the link to bring macrofracture mechanics closer to microfracture mechanics.

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Within the isospin-dependent Brueckner framework, we investigate the contribution of three-body force ( TBF) rearrangement to isospin symmetry potential as well as its momentum and density dependence. In particular, we investigate the TBF rearrangement effects on the isospin splitting of neutron and proton effective masses in neutron-rich nuclear matter. We show that the rearrangement contribution of TBF to neutron and proton single-particle potentials is repulsive and increases rapidly with increasing density and momentum. At low densities, the influence of the TBF rearrangement on symmetry potential is rather small, and the TBF rearrangement effect becomes more and more pronounced as the density rises. At high densities, the contribution of TBF rearrangement increases considerably the symmetry potential and modifies remarkably the momentum dependence of the symmetry potential. In both cases with and without including the TBF rearrangement contribution, the predicted neutron effective mass in neutron-rich matter is greater than the proton effective mass. The TBF rearrangement effect is to decrease remarkably both the proton and neutron effective masses, and reduce the magnitude of neutron-proton effective mass splitting in neutron-rich matter at high densities.

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We study the heat conduction of two nonlinear lattices joined by a weak harmonic link. When the system reaches a steady state, the heat conduction of the system is decided by the tunneling heat flow through the weak link. We present an analytical analysis by the combination of the self-consistent phonon theory and the heat tunneling transport formalism, and then the tunneling heat flow can be obtained. Moreover, the nonequilibrium molecular dynamics simulations are performed and the simulations results are consistent with the analytical predictions.

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Within the framework of microscopic Brueckner-Hatree-Fock, the contribution of the three-body force (TBF) rearrangement to the. single nucleon potential is calculated. The TBF rearrangement effects on the momentum and the density dependence of the single nucleon potential are investigated. The influence of the TBF rearrangement on the effective mass of nucleon is also discussed. It is shown that the rearrangement contribution of TBF is repulsive and momentum-dependent. The TBF rearrangement effect and its momentum dependence increase rapidly as increasing density and momentum. At high densities and high momenta, the repulsive rearrangement contribution reduces strongly the attraction of the single nucleon potential and enhances considerably the momentum dependence of the single nucleon potential.

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We extend the Brueckner-Hartree-Fock (BHF) approach to include the three-body force (TBF) rearrangement contribution in calculating the neutron and proton single particle (s.p.) properties in isospin asymmetric nuclear matter. We investigate the TBF rearrangement effect on the momentum-dependence of neutron and proton s.p. potentials, the isospin splitting and especially its density dependence of the neutron and proton effective masses, and the isospin symmetry potential in neutron-rich nuclear matter by adopting the realistic Argonne V-18 two-body nucleon-nucleon interaction supplemented with a microscopic TBF. We find that at low densities, the TBF rearrangement effect is fairly weak, whereas the TBF induces a significant rearrangement effect on the s.p. properties at high densities and large momenta. The TBF rearrangement contribution to s.p. potential is shown to be repulsive, and it reduces considerably the attraction of the BHF s.p. potential. The repulsion from the TBF rearrangement turns out to be strongly momentum dependent at high densities and high momenta. As a consequence, it enhances remarkably the momentum dependence of the proton and neutron s.p. potentials and reduces the neutron and proton effective masses. At low densities, the TBF rearrangement effect on symmetry potential is almost negligible, while at high densities, it enlarges sizably the symmetry potential. At high enough densities, it may even change the high-momentum behavior of symmetry potential. In both cases, with and without including the TBF rearrangement contribution, the predicted neutron effective mass is larger than the proton one in neutron-rich matter within the BHF framework; i.e., the predicted isospin splitting of the proton and neutron effective masses in neutron-rich matter is such that m(n)(*)>= m(p)(*), in agreement with the recent Dirac-BHF predictions. The TBF rearrangement contribution reduces remarkably the magnitude of the proton-neutron effective mass splitting at high densities. At high enough densities, inclusion of the TBF rearrangement contribution even suppresses almost completely the effective mass splitting.

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Diblock polyampholyte brushes with different block sequences (Si/SiO2/poly(acrylic acid)-b-poly (2-vinylpyridine) (PAA-b-P2VP) brushes and Si/SiO2/P2VP-b-PAA brushes) and different block lengths were synthesized by sequent surface-initiated atom transfer radical polymerization (ATRP). The PAA block was obtained through hydrolysis from the corresponding poly(tert-butyl acrylate). The polyampholyte brushes demonstrated unique pH-responsive behavior. In the intermediate pH region, the brushes exhibited a less hydrophilic wetting behavior and a rougher surface morphology due to the formation of polyelectrolyte complex through electrostatic interaction between oppositely charged blocks. In the low pH and high pH regions, the rearrangement of polyampholyte brushes showed great dependence on the block sequence and block length. The polyampholyte brushes with P2VP-b-PAA sequence underwent rearrangement during alternative treatment by acidic aqueous solution (low pH value) and basic aqueous solution (high pH value).

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A new application of rare earth pyrophosphates in vapor phase Beckmann rearrangement of cyclohexanone oxime was investigated. The rare earth phosphates were characterized by means of XRD, FT-IR, NH3-TPD and water contact angle measurement. It was found that the weak surface acidity and appropriate surface hydrophobicity should be two key factors in the excellent performance of these catalysts.

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The reaction mechanism of the Beckmann rearrangement over B2O3/gamma-Al2O3 and TS-1 in the gas phase has been investigated by isotope labeling approach. The isotopic labeled products were measured by mass spectrometry method. By exchanging oxygen with H, 180 in the rearrangement step, it was found that the exchange reaction between cyclohexanone oxime and (H2O)-O-18 over B2O3/-gamma-Al2O3 and TS-1 could only be carried out in some extent. It suggested that the dissociation of nitrilium, over solid acids be not completely free as the classical mechanism. A concept of the dissociation degree (alpha) that is defined as the ratio of the dissociated intermediate nitrilium to the total intermediate nitrilium has been proposed. By fitting the experimental values with the calculation equation of isotopic labeled products, it is obtained that a values for B2O3/-gamma-Al2O3 and TS-1 are 0.199 and 0.806 at the reaction conditions, respectively.