Improving No-Good Learning in Binary Constraint Satisfaction Problems

Conflict-Directed Backjumping (CBJ) is an important mechanism for improving the performance of backtrack search used to solve Constraint Satisfaction Problems (CSPs). Using specialized data structures, CBJ tracks the reasons for failure and learns inconsistent combinations (i.e., no-goods) during search. However, those no-goods are forgotten as soon as search backtracks along a given path to shallower levels in the search tree, thus wasting the opportunity of exploiting such no-goods elsewhere in the search space. Storing such no-goods is prohibitive in practice because of space limitations. In this thesis, we propose a new strategy to preserve all no-goods as they are discovered and to reduce them into no-goods of smaller sizes without diminishing their pruning power. We show how our strategy improves the performance of search by exploiting the no-goods discovered by CBJ, and saves on storage space by generalizing them

Surface Integrity of SA508 Gr 3 Subjected to Abusive Milling Conditions

SA508 Gr 3, a bainitic forging steel employed in the fabrication of nuclear pressure vessels has been characterised after dry-milling to investigate extent of machining abuse on the surface. A detailed study of the evolution of residual stresses, microstructure, micro-hardness and roughness in relation to different milling parameters is presented. A central composite orthogonal (CCO) design of experiments (DoE) was used to generate a statistic model of the milling process. Deformation of the sub-surface layer was assessed via SEM BSE imaging. The developed statistical model is discussed aiming to illustrate availability of different cost-effective manufacturing techniques meeting the high standards required by the industry

Two--Electron Atoms in Short Intense Laser Pulses

We discuss a method of solving the time dependent Schrodinger equation for atoms with two active electrons in a strong laser field, which we used in a previous paper [A. Scrinzi and B. Piraux, Phys. Rev. A 56, R13 (1997)] to calculate ionization, double excitation and harmonic generation in Helium by short laser pulses. The method employs complex scaling and an expansion in an explicitly correlated basis. Convergence of the calculations is documented and error estimates are provided. The results for Helium at peak intensities up to 10^15 W/cm^2 and wave length 248 nm are accurate to at least 10 %. Similarly accurate calculations are presented for electron detachment and double excitation of the negative hydrogen ion.Comment: 14 pages, including figure

Scanning tunneling spectroscopy of superconducting LiFeAs single crystals: Evidence for two nodeless energy gaps and coupling to a bosonic mode

The superconducting compound, LiFeAs, is studied by scanning tunneling microscopy and spectroscopy. A gap map of the unreconstructed surface indicates a high degree of homogeneity in this system. Spectra at 2 K show two nodeless superconducting gaps with $\Delta_1=5.3\pm0.1$ meV and $\Delta_2=2.5\pm0.2$ meV. The gaps close as the temperature is increased to the bulk $T_c$ indicating that the surface accurately represents the bulk. A dip-hump structure is observed below $T_c$ with an energy scale consistent with a magnetic resonance recently reported by inelastic neutron scattering

Exact condition on the Kohn-Sham kinetic energy, and modern parametrization of the Thomas-Fermi density

We study the asymptotic expansion of the neutral-atom energy as the atomic number Z goes to infinity, presenting a new method to extract the coefficients from oscillating numerical data. We find that recovery of the correct expansion is an exact condition on the Kohn-Sham kinetic energy that is important for the accuracy of approximate kinetic energy functionals for atoms, molecules and solids, when evaluated on a Kohn-Sham density. For example, this determines the small gradient limit of any generalized gradient approximation, and conflicts somewhat with the standard gradient expansion. Tests are performed on atoms, molecules, and jellium clusters. We also give a modern, highly accurate parametrization of the Thomas-Fermi density of neutral atoms.Comment: 10 pages, 9 figures, submitted at JC

Cluster virial expansion for the equation of state of partially ionized hydrogen plasma

We study the contribution of electron-atom interaction to the equation of state for partially ionized hydrogen plasma using the cluster-virial expansion. For the first time, we use the Beth-Uhlenbeck approach to calculate the second virial coefficient for the electron-atom (bound cluster) pair from the corresponding scattering phase-shifts and binding energies. Experimental scattering cross-sections as well as phase-shifts calculated on the basis of different pseudopotential models are used as an input for the Beth-Uhlenbeck formula. By including Pauli blocking and screening in the phase-shift calculation, we generalize the cluster-virial expansion in order to cover also near solid density plasmas. We present results for the electron-atom contribution to the virial expansion and the corresponding equation of state, i.e. pressure, composition, and chemical potential as a function of density and temperature. These results are compared with semi-empirical approaches to the thermodynamics of partially ionized plasmas. Avoiding any ill-founded input quantities, the Beth-Uhlenbeck second virial coefficient for the electron-atom interaction represents a benchmark for other, semi-empirical approaches.Comment: 16 pages, 10 figures, and 5 tables, resubmitted to PR

Quantum many-body dynamics in a Lagrangian frame: II. Geometric formulation of time-dependent density functional theory

We formulate equations of time-dependent density functional theory (TDDFT) in the co-moving Lagrangian reference frame. The main advantage of the Lagrangian description of many-body dynamics is that in the co-moving frame the current density vanishes, while the density of particles becomes independent of time. Therefore a co-moving observer will see the picture which is very similar to that seen in the equilibrium system from the laboratory frame. It is shown that the most natural set of basic variables in TDDFT includes the Lagrangian coordinate, $\bm\xi$, a symmetric deformation tensor $g_{\mu\nu}$, and a skew-symmetric vorticity tensor, $F_{\mu\nu}$. These three quantities, respectively, describe the translation, deformation, and the rotation of an infinitesimal fluid element. Reformulation of TDDFT in terms of new basic variables resolves the problem of nonlocality and thus allows to regularly derive a local nonadiabatic approximation for exchange correlation (xc) potential. Stationarity of the density in the co-moving frame makes the derivation to a large extent similar to the derivation of the standard static local density approximation. We present a few explicit examples of nonlinear nonadiabatic xc functionals in a form convenient for practical applications.Comment: RevTeX4, 18 pages, Corrected final version. The first part of this work is cond-mat/040835