Shape evolution and the role of intruder configurations in Hg isotopes within the interacting boson model based on a Gogny energy density functional

The interacting boson model with configuration mixing, with parameters derived from the self-consistent mean-field calculation employing the microscopic Gogny energy density functional, is applied to the systematic analysis of the low-lying structure in Hg isotopes. Excitation energies, electromagnetic transition rates, deformation properties, and ground-state properties of the $^{172-204}$Hg nuclei are obtained by mapping the microscopic deformation energy surface onto the equivalent IBM Hamiltonian in the boson condensate. These results point to the overall systematic trend of the transition from the near spherical vibrational state in lower-mass Hg nuclei close to $^{172}$Hg, onset of intruder prolate configuration as well as the manifest prolate-oblate shape coexistence around the mid-shell nucleus $^{184}$Hg, weakly oblate deformed structure beyond $^{190}$Hg up to the spherical vibrational structure toward the near semi-magic nucleus $^{204}$Hg, as observed experimentally. The quality of the present method in the description of the complex shape dynamics in Hg isotopes is examined.Comment: 19 pages, 14 figures, revised version including new results and discussions, title changed, accepted for publication in Phys. Rev.

The Riccati System and a Diffusion-Type Equation

We discuss a method of constructing solution of the initial value problem for duffusion-type equations in terms of solutions of certain Riccati and Ermakov-type systems. A nonautonomous Burgers-type equation is also considered.Comment: 11 pages, no figure

On The Harmonic Oscillator Group

We discuss the maximum kinematical invariance group of the quantum harmonic oscillator from a view point of the Ermakov-type system. A six parameter family of the square integrable oscillator wave functions, which seems cannot be obtained by the standard separation of variables, is presented as an example. The invariance group of generalized driven harmonic oscillator is shown to be isomorphic to the corresponding Schroedinger group of the free particle.Comment: 11 pages, no figure

The dynamics of copper intercalated molybdenum ditelluride

Layered transition metal dichalcogenides are emerging as key materials in nanoelectronics and energy applications. Predictive models to understand their growth, thermomechanical properties and interactions with metals are needed in order to accelerate their incorporation into commercial products. Interatomic potentials enable large-scale atomistic simulations at the device level, beyond the range of applications of first principle methods. We present a ReaxFF reactive force field to describe molybdenum ditelluride and its interactions with copper. We optimized the force field parameters to describe the properties of layered MoTe2 in various phases, the intercalation of Cu atoms and clusters within its van der Waals gap, including a proper description of energetics, charges and mechanical properties. The training set consists of an extensive set of first principle calculations computed from density functional theory. We use the force field to study the adhesion of a single layer MoTe2 on a Cu(111) surface and the results are in good agreement with density functional theory, even though such structures were not part of the training set. We characterized the mobility of the Cu ions intercalated into MoTe2 under the presence of an external electric fields via molecular dynamics simulations. The results show a significant increase in drift velocity for electric fields of approximately 0.4 V/A and that mobility increases with Cu ion concentration.Comment: 21 pages, 9 Figure

Hyperbolic 3-manifolds with k-free fundamental group

The results of Culler and Shalen for 2,3 or 4-free hyperbolic 3-manifolds are contingent on properties specific to and special about rank two subgroups of a free group. Here we determine what construction and algebraic information is required in order to make a geometric statement about $M$, a closed, orientable hyperbolic 3-manifold with $k$-free fundamental group, for any value of $k$ greater than four. Main results are both to show what the formulation of the general statement should be, for which Culler and Shalen's result is a special case, and that it is true modulo a group-theoretic conjecture. A major result is in the $k=5$ case of the geometric statement. Specifically, we show that the required group-theoretic conjecture is in fact true in this case, and so the proposed geometric statement when $M$ is 5-free is indeed a theorem. One can then use the existence of a point $P$ and knowledge about $\pi_1(M,P)$ resulting from this theorem to attempt to improve the known lower bound on the volume of $M$, which is currently 3.44.Comment: 18 page

Shape evolution and shape coexistence in Pt isotopes: comparing interacting boson model configuration mixing and Gogny mean-field energy surfaces

The evolution of the total energy surface and the nuclear shape in the isotopic chain $^{172-194}$Pt are studied in the framework of the interacting boson model, including configuration mixing. The results are compared with a self-consistent Hartree-Fock-Bogoliubov calculation using the Gogny-D1S interaction and a good agreement between both approaches shows up. The evolution of the deformation parameters points towards the presence of two different coexisting configurations in the region 176 $\leq$ A $\leq$ 186.Comment: Submitted to PR

PAH Formation in O-rich Planetary Nebulae

Polycyclic aromatic hydrocarbons (PAHs) have been observed in O-rich planetary nebulae towards the Galactic Bulge. This combination of oxygen-rich and carbon-rich material, known as dual-dust or mixed chemistry, is not expected to be seen around such objects. We recently proposed that PAHs could be formed from the photodissociation of CO in dense tori. In this work, using VISIR/VLT, we spatially resolved the emission of the PAH bands and ionised emission from the [SIV] line, confirming the presence of dense central tori in all the observed O-rich objects. Furthermore, we show that for most of the objects, PAHs are located at the outer edge of these dense/compact tori, while the ionised material is mostly present in the inner parts of these tori, consistent with our hypothesis for the formation of PAHs in these systems. The presence of a dense torus has been strongly associated with the action of a central binary star and, as such, the rich chemistry seen in these regions may also be related to the formation of exoplanets in post-common-envelope binary systems.Comment: 14, accepted for publication in the MNRAS Journa