Search results for "Saddle"
showing 10 items of 74 documents
A theoretical study of the collinear reaction F+H2→HF+H using multiconfigurational second-order perturbation theory (CASPT2)
1993
Abstract The second-order perturbation method (CASPT2) with a single state multiconfigurational reference function generated in complete active self-consistent field (CASSCF) calculations has been used to compute the collinear barrier height, saddle point geometry, and exothermicity of the reaction F+H 2 →HF+H. Comparison with full configuration (FCI) calculations with small basis sets shows that the CASPT2 method is capable of reproducing accurately the exact benchmark results correlating seven electrons. Large atomic natural orbital basis sets are used at the seven- and nine-electron level of correlation. With the largest ANO basis set used, F[7s6p5d4f2g]/H[6s5p4d2f], the computed nine-el…
Modelling the carbon Snoek peak in ferrite: Coupling molecular dynamics and kinetic Monte-Carlo simulations
2008
Abstract Molecular statics, molecular dynamics and kinetic Monte-Carlo are used to model the carbon Snoek peak in ferrite. Using an interatomic EAM potential for the Fe–C system, saddle point energies for the diffusion of carbon have been evaluated under uniaxial stress by molecular statics. These energies have been reintroduced in a kinetic Monte-Carlo scheme to predict the repartition of carbon atoms in different octahedral sites. This repartition leads to an anelastic deformation calculated by molecular dynamics, which causes internal friction (the Snoek peak) for cyclic stress. This approach leads to quantitative predictions of the internal friction, which are in good agreement with exp…
THE REHABILITATION THROUGH EXTERNAL PRESTRESSING OF HISTORICAL REINFORCED CONCRETE BRIDGES WITH REDUCED PERFORMANCE: A CASE STUDY
2022
Many existing reinforced concrete bridges exhibit behaviour at the Service Limit State and the Ultimate Limit State which can be considered unsatisfactory with respect to the current provisions of Codes, but which are actually deficiencies deriving from obsolete calculation methods, structure age, material degradation, diffuse or localized corrosion and increased loads. Among these, cantilever bridges with half-joints may present a decrease in global safety coefficients for the most stressed current sections of the deck or in the local ones, that affect the performance of elements sensitive to degradation, such as Gerber saddles. In these cases, simple strengthening interventions through ex…
Spin Glasses on Thin Graphs
1995
In a recent paper we found strong evidence from simulations that the Isingantiferromagnet on ``thin'' random graphs - Feynman diagrams - displayed amean-field spin glass transition. The intrinsic interest of considering such random graphs is that they give mean field results without long range interactions or the drawbacks, arising from boundary problems, of the Bethe lattice. In this paper we reprise the saddle point calculations for the Ising and Potts ferromagnet, antiferromagnet and spin glass on Feynman diagrams. We use standard results from bifurcation theory that enable us to treat an arbitrary number of replicas and any quenched bond distribution. We note the agreement between the f…
Two-photon laser dynamics.
1995
Degenerate as well as nondegenerate three-level two-photon laser (TPL) models are derived. In the limit of equal cavity losses for both fields, it is shown that the nondegenerate model reduces to the degenerate one. We also demonstrate the isomorphism existing between our degenerate TPL model and that of a dressed-state TPL. All these models contain ac-Stark and population-induced shifts at difference from effective Hamiltonian models. The influence of the parameters that control these shifts on the nonlinear dynamics of a TPL is investigated. In particular, the stability of the periodic orbits that arise at the Hopf bifurcation of the system and the extension of the self-pulsing domains of…
Solving Two-Person Zero-Sum Stochastic Games With Incomplete Information Using Learning Automata With Artificial Barriers
2021
Learning automata (LA) with artificially absorbing barriers was a completely new horizon of research in the 1980s (Oommen, 1986). These new machines yielded properties that were previously unknown. More recently, absorbing barriers have been introduced in continuous estimator algorithms so that the proofs could follow a martingale property, as opposed to monotonicity (Zhang et al., 2014), (Zhang et al., 2015). However, the applications of LA with artificial barriers are almost nonexistent. In that regard, this article is pioneering in that it provides effective and accurate solutions to an extremely complex application domain, namely that of solving two-person zero-sum stochastic games that…
Energy and entropy barriers of two-level systems in argon clusters: An energy landscape approach
1999
Abstract Free argon clusters containing up to 160 atoms have been studied by means of a numerical algorithm for finding thousands of adjacent minima connected through a first-order saddle point. Many minimum-saddle-minimum systems have been found to be good candidates for forming two-level systems. The ground state splitting has been evaluated by taking into account both energy and entropy barriers. The role of the latter in auenching or enhancing the ground state splitting is discussed with the aid of a simple model potential.
Abnormal escape rates from nonuniformly hyperbolic sets
1999
Consider a $C^{1+\epsilon}$ diffeomorphism $f$ having a uniformly hyperbolic compact invariant set $\Omega$, maximal invariant in some small neighbourhood of itself. The asymptotic exponential rate of escape from any small enough neighbourhood of $\Omega$ is given by the topological pressure of $-\log |J^u f|$ on $\Omega$ (Bowen–Ruelle in 1975). It has been conjectured (Eckmann–Ruelle in 1985) that this property, formulated in terms of escape from the support $\Omega$ of a (generalized Sinai–Ruelle–Bowen (SRB)) measure, using its entropy and positive Lyapunov exponents, holds more generally. We present a simple $C^\infty$ two-dimensional counterexample, constructed by a surgery using a Bowe…
Evidence for quasi-fission in40Ar+208Pb collisions near the coulomb-barrier
1987
Fission-fragment angular distributions were measured in the reaction of40Ar with208Pb near the fusion barrier. For nearly symmetric mass-/charge splits we find angular distributions symmetric around θ=90 degrees, however, with unusually large anisotropies. These develop gradually into forward-backward asymmetric distributions as one moves away from mass-/charge symmetry. This indicates that non-compound fission (‘quasi-fission’) competes with true fusion-fission. The relative contribution of quasi-fission to the total fission cross section is somewhere between 51 and 85%. In the framework of the extra-push model this is equivalent to an extra-extra push energy for compound-nucleus formation…
Quantized ATDHF: theory and realistic applications to heavy ion fusion
1982
The quantized ATDHF theory is reviewed and discussed in the context of the generator coordinate method. This allows for a derivation which does not require an a posteriori quantization process. The ATDHF equations are then solved numerically on a coordinate and momentum grid in fully three dimensional geometry. The theory is applied to various heavy ion systems, where potentials, mass parameters and quantum corrections are evaluated and compared to conventional results from constrained Hartree-Fock. Subbarrier fusion cross sections are calculated and compared with experiment.