Shell closure effects studied via cluster decay in heavy nuclei

The effects of shell closure in nuclei via the cluster decay is studied. In this context, we have made use of the Preformed Cluster Model ($PCM$) of Gupta and collaborators based on the Quantum Mechanical Fragmentation Theory. The key point in the cluster radioactivity is that it involves the interplay of close shell effects of parent and daughter. Small half life for a parent indicates shell stabilized daughter and long half life indicates the stability of the parent against the decay. In the cluster decay of trans lead nuclei observed so far, the end product is doubly magic lead or its neighbors. With this in our mind we have extended the idea of cluster radioactivity. We investigated decay of different nuclei where Zirconium is always taken as a daughter nucleus, which is very well known deformed nucleus. The branching ratio of cluster decay and $\alpha$-decay is also studied for various nuclei, leading to magic or almost doubly magic daughter nuclei. The calculated cluster decay half-life are in well agreement with the observed data. First time a possibility of cluster decay in $^{218}U$ nucleus is predicted

EXSCALATE: An Extreme-Scale Virtual Screening Platform for Drug Discovery Targeting Polypharmacology to Fight SARS-CoV-2

The social and economic impact of the COVID-19 pandemic demands a reduction of the time required to find a therapeutic cure. In this paper, we describe the EXSCALATE molecular docking platform capable to scale on an entire modern supercomputer for supporting extreme-scale virtual screening campaigns. Such virtual experiments can provide in short time information on which molecules to consider in the next stages of the drug discovery pipeline, and it is a key asset in case of a pandemic. The EXSCALATE platform has been designed to benefit from heterogeneous computation nodes and to reduce scaling issues. In particular, we maximized the accelerators’ usage, minimized the communications between nodes, and aggregated the I/O requests to serve them more efficiently. Moreover, we balanced the computation across the nodes by designing an ad-hoc workflow based on the execution time prediction of each molecule. We deployed the platform on two HPC supercomputers, with a combined computational power of 81 PFLOPS, to evaluate the interaction between 70 billion of small molecules and 15 binding-sites of 12 viral proteins of SARS-CoV-2. The experiment lasted 60 hours and it performed more than one trillion ligand-pocket evaluations, setting a new record on the virtual screening scale

Particle-hole state densities with non-equidistant single-particle levels

The correct use of energy-dependent single-particle level (s.p.l.) densities within particle-hole state densities based on the equidistant spacing model (ESM) is analysed. First, an analytical expression is obtained following the convolution of energy-dependent excited-particle and hole densities. Next, a comparison is made with results of the ESM formula using average s.p.l. densities for the excited particles and holes, respectively. The Fermi-gas model (FGM) s.p.l. densities calculated at the corresponding average excitation energies are used in both cases. The analysis concerns also the density of particle-hole bound states. The pairing correlations are taken into account while the comparison of various effects includes the exact correction for the Pauli exclusion principle. Quantum-mechanical s.p.l. densities and the continuum effect can also match a corresponding FGM formula, suitable for use within the average energy-dependent partial state density in multistep reaction models.Comment: 29 pages, ReVTeX, 11 postscript figures, submitted to Phys.Rev.

Binary projectile fragmentation of 12C at an incident energy of 33.3 MeV/nucleon

Direct binary projectile fragmentation is being investigated for the case where a 400 MeV 12C projectile breaks up into an particle and a 8Be fragment in the interaction with a thin 93Nb and 197Au target. While the 8Be fragments were measured at 9 , the correlated particles were detected in an angular range between 16 and 30 on the opposite side of the beam. From the preliminary results presented here one may obtain information on the amount of quasi-elastic fragmentation (both fragments do not suffer any further interactions after they are produced). These experimental results indicate that the quasi-elastic break-up process is the dominant contribution to the measured correlation spectra. As was also observed in earlier work, the most forward quasi-elastically emitted particles have energies exceeding the beam velocity

Emission of intermediate mass fragments from hot 116^{116}Ba∗^* formed in low-energy 58^{58}Ni+58^{58}Ni reaction

The complex fragments (or intermediate mass fragments) observed in the low-energy $^{58}$Ni+$^{58}$Ni$\to ^{116}$Ba$^*$ reaction, are studied within the dynamical cluster decay model for s-wave with the use of the temperature-dependent liquid drop, Coulomb and proximity energies. The important result is that, due to the temperature effects in liquid drop energy, the explicit preference for $\alpha$-like fragments is washed out, though the $^{12}$C (or the complementary $^{104}$Sn) decay is still predicted to be one of the most probable $\alpha$-nucleus decay for this reaction. The production rates for non-$\alpha$ like intermediate mass fragments (IMFs) are now higher and the light particle production is shown to accompany the IMFs at all incident energies, without involving any statistical evaporation process in the model. The comparisons between the experimental data and the (s-wave) calculations for IMFs production cross sections are rather satisfactory and the contributions from other $\ell$-waves need to be added for a further improvement of these comparisons and for calculations of the total kinetic energies of fragments.Comment: 22 pages, 15 figure

Combinatorial nuclear level density by a Monte Carlo method

We present a new combinatorial method for the calculation of the nuclear level density. It is based on a Monte Carlo technique, in order to avoid a direct counting procedure which is generally impracticable for high-A nuclei. The Monte Carlo simulation, making use of the Metropolis sampling scheme, allows a computationally fast estimate of the level density for many fermion systems in large shell model spaces. We emphasize the advantages of this Monte Carlo approach, particularly concerning the prediction of the spin and parity distributions of the excited states, and compare our results with those derived from a traditional combinatorial or a statistical method. Such a Monte Carlo technique seems very promising to determine accurate level densities in a large energy range for nuclear reaction calculations.Comment: 30 pages, LaTex, 7 figures (6 Postscript figures included). Fig. 6 upon request to the autho

Decay studies of 288−287115^{288-287}115 alpha-decay chains

The $\alpha$-decay chains of $^{288-287}115$ are studied along with the possible cluster decay modes by using the preformed cluster model (PCM). The calculated $\alpha$-decay half-lives are compared with experimental data and other model calculations. The calculated Q-values, penetration probabilities and preformation probabilities factors for $\alpha$-decay suggest that $^{283}_{170}113$,$^{287}_{172}115$ and $^{272}_{165}107$ parent nuclei are more stable against the $\alpha$-decay. These alpha decay chains are further explored for the possibilities of cluster decay. Decay half lives of different cluster from different nuclei of the decay chains point to the extra stability near or at the deformed shells Z=108, N=162 and Z=100, N=152. The decay half-lives for $^{14}C$ and $^{48}Ca$ clusters are lower than the current experimental limit ($\approx$ $10^{28}$sec)

Super-Radiant Dynamics, Doorways, and Resonances in Nuclei and Other Open Mesoscopic Systems

The phenomenon of super-radiance (Dicke effect, coherent spontaneous radiation by a gas of atoms coupled through the common radiation field) is well known in quantum optics. The review discusses similar physics that emerges in open and marginally stable quantum many-body systems. In the presence of open decay channels, the intrinsic states are coupled through the continuum. At sufficiently strong continuum coupling, the spectrum of resonances undergoes the restructuring with segregation of very broad super-radiant states and trapping of remaining long-lived compound states. The appropriate formalism describing this phenomenon is based on the Feshbach projection method and effective non-Hermitian Hamiltonian. A broader generalization is related to the idea of doorway states connecting quantum states of different structure. The method is explained in detail and the examples of applications are given to nuclear, atomic and particle physics. The interrelation of the collective dynamics through continuum and possible intrinsic many-body chaos is studied, including universal mesoscopic conductance fluctuations. The theory serves as a natural framework for general description of a quantum signal transmission through an open mesoscopic system.Comment: 85 pages, 10 figure