First principles based predictions of the toughness of a metal/oxide interface

We describe a first-principles-based strategy to predict the macroscopic toughness of a gamma-Ni(Al)/alpha-Al2O3 interface. Density functional theory calculations are used to ascertain energy changes upon displacing the two materials adjacent to the interface, with relaxation conducted over all atoms located within adjoining rows. Traction/displacernent curves are obtained from derivatives of the energy. Calculations are performed in mode I (opening), mode II (shear) and at a phase angle of 45 degrees. The shear calculations are conducted for displacements along < 110 > and < 112 > of the Ni lattice. A generalized interface potential function is used to characterize the results. Initial fitting to both the shear and normal stress results is required to calibrate the unknowns. Thereafter, consistency is established by using the potential to predict other traction quantities. The potential is incorporated as a traction/displacement function within a cohesive zone model and used to predict the steady-state toughness of the interface. For this purpose, the plasticity of the Ni alloy must be known, including the plasticity length scale. Measurements obtained for a gamma-Ni superalloy are used and the toughness predicted over the full range of mode mixity. Additional results for a range of alloys are used to demonstrate the influences of yield strength and length scale.

Neutron-proton bremsstrahlung from intermediate energy heavy-ion reactions as a probe of the nuclear symmetry energy?

Hard photons from neutron-proton bremsstrahlung in intermediate energy heavy-ion reactions are examined as a potential probe of the nuclear symmetry energy within a transport model. Effects of the symmetry energy on the yields and spectra of hard photons are found to be generally smaller than those due to the currently existing uncertainties of both the in-medium nucleon-nucleon cross sections and the photon production probability in the elementary process pn -> pn gamma. Very interestingly, nevertheless, the ratio of hard photon spectra R-1/2(gamma) from two reactions using isotopes of the same element is not only approximately independent of these uncertainties but also quite sensitive to the symmetry energy. For the head-on reactions of Sn-132 + Sn-124 and Sn-112 + Sn-112 at E-beam/A = 50 MeV, for example, the R-1/2(gamma) displays a rise up to 15% when the symmetry energy is reduced by about 20% at rho = 1.3 rho(0) which is the maximum density reached in these reactions. (C) 2008 Elsevier B.V. All rights reserved.

Probing the symmetrical potential in nuclear reaction iinduced by neutron-halo nuclei

In terms of the isospin-dependent quantum molecular dynamics model (IQMD), important isospin effect in the halo-neutron nucleus induced reaction mechanism is. investigated, and consequently, the symmetrical potential form is extracted in the intermediate energy heavy ion collision. Because the interactive potential and in-medium nucleon-nucleon (N-N) cross section in the IQMD model sensitively depend on the density distribution of the colliding system, this type of study is much more based on the extended density distribution with a looser inner nuclear structure of the halo-neutron nucleus. Such a density distribution includes averaged characteristics of the isospin effect of the reaction mechanism and the looser inner nuclear structure. In order to understand clearly the isospin effect of the halo-neutron nucleus induced reaction mechanism, the effects caused by the neutron-halo nucleus and by the stable nucleus with the same mass are compared under the same condition of the incident channel. It is found that in the concerned beam energy region, the ratio of the emitted neutrons and protons and the ratio of the isospin fractionations in the neutron-halo nucleus case are considerably larger than those in the stable nucleus case. Therefore, the information of the symmetry potential in the heavy ion collision can be extracted through such a procedure.