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N. Dubray

Publications and source records attributed to N. Dubray.

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Microscopic description of the fission process including intrinsic excitations. Part I: 240Pu adiabatic and asymmetric fission path within the Schrodinger Collective Intrinsic Model

This article is the first in a trilogy aimed at presenting the first practical implementation of the Schrodinger Collective-Intrinsic Model (SCIM) applied to nuclear fission. Within the SCIM framework, the many-body wave function explicitly couples collective motion to intrinsic excitations, necessitating sets of Hartree-Fock-Bogoliubov (HFB) configurations that remain continuous and regular across a broad deformation range, from the ground state to scission and beyond. This paper focuses on constructing adiabatic HFB paths suitable for subsequent SCIM dynamical calculations. Standard constrained adiabatic paths often suffer from discontinuities and irregularities, which prevent the direct application of the formalism. To address these challenges, we implement two recently proposed overlap-based protocols, the Link and Drop methods, and combine them into a new numerical procedure.A comparison with the exact Gaussian Overlap Approximation confirms that the resulting adiabatic kernels exhibit properties consistent with the assumptions of the SCIM formalism. The regularized path is then analyzed in the scission region. We identify characteristic structures in the proton and neutron chemical potentials, a pronounced neutron enrichment of the neck at scission, and fragment particle-number distributions displaying a strong odd-even staggering in the proton sector. Finally, using a microscopic fragment-separation procedure formulated in the canonical basis, we extract static scission properties including fragment deformation energies and both Coulomb and nuclear contributions to the fragment interaction energy. These results establish the adiabatic foundations required for future SCIM calculations with intrinsic excitations and provide a microscopic characterization of the scission region in 240Pu.

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Microscopic description of the fission process including intrinsic excitations. Part II: 240Pu excited and asymmetric fission paths within the Schrodinger Collective

This second article of the trilogy presents the implementation of a third protocol, referred to as Continuous Deflation, designed to construct continuous and regular excited paths within the Schrodinger Collective-Intrinsic Model (SCIM), with applications to nuclear fission. We show that the use of standard 2QP excitations, even when combined with particle-number projection, prevents a consistent application of the SCIM framework. Motivated by the central role of pair breaking in low-energy fission, we explore how to construct intrinsic excited states that incorporate this mechanism while satisfying the continuity and regularity state requirements of the SCIM. To this end, we first analyze the Deflation procedure alone, which constructs excited states through orthogonality constraints. We then extend this construction along a deformation path by introducing an additional continuity constraint, thereby defining the Continuous Deflation method, which generates continuous paths based on excited states. In particular, we construct ten such continuous paths built on top of the adiabatic and asymmetric fission path of 240Pu. The resulting excited states are systematically analyzed in terms of their microscopic structure. We then investigate several fragment properties near scission, including neutron and proton chemical potentials, neutron necking as well as fragment particle-number distributions, and compare them with their adiabatic counterparts.

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Microscopic description of the fission process including intrinsic excitations. Part III: 240Pu fission dynamics along 1D asymmetric paths within the Schrodinger Collective Intrinsic Model

This last article of the trilogy focuses on the dynamical equation of the Schrodinger Collective-Intrinsic Model (SCIM). First, we motivate and discuss the need to regularize the adiabatic and excited dynamical ingredients entering the collective-intrinsic Hamiltonian, namely the collective potential, the collective inertia tensor, and the collective dissipative tensor. In particular, we introduce a Savitzky-Golay low-pass filter to remove numerical fluctuations incompatible with the second-order truncation in the Symmetric Ordered Product of Operators used to derive the SCIM equations. The diagonal and off-diagonal properties of the three dynamical ingredients are then analyzed along the asymmetric fission path in 240Pu. This study highlights the dominant role of neutron and proton excitation channels, especially in the second well and scission regions, whereas proton-neutron couplings remain essentially negligible. Furthermore, in the adiabatic limit of the SCIM, we perform a comparison with the GOA which reveals very close predictions. Second, we discuss the construction of the initial wave packet and the numerical resolution of the collective-intrinsic Schrodinger equation. Using a continuity equation, we derive the probability fluxes associated with the different components of the wave function, which provide direct access to the contribution of the different excitations to the final observables for the fission problem. The excited states are found to account for more than 80% of the total flux at scission. Finally, we evaluate, the neutron and proton fragment distributions as well as the energy balance, including the total kinetic and excitation energies. The obtained results are found to be consistent with available experimental data and demonstrate the importance of explicitly including intrinsic excitations in the description of fission dynamics.

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Impact of finite-range spin-orbit and tensor terms in Gogny EDF

Energy Density Functionals are of major interest for the study of the atomic nucleus as, coupled with mean-field and beyond N-body approaches, they are applicable to the whole nuclear chart, including superheavy elements. On the one hand, the growing need for nuclear data and, on the other hand, the large amount of experimental data on exotic nuclei explain the work carried out on these phenomenological forms of the nucleon-nucleon interaction to analyze the richness of the nuclear phenomena. In this paper, we propose a fully finite-range extension of the Gogny EDF, including a short-range spin-orbit term and a long-range tensor term. The original fitting protocol of the Gogny interaction has been adapted to include both finite range spin-orbit and tensor terms, adding new constraints and filters linked to relevant data. Nuclear matter, spectroscopic and fission properties are discussed, highlighting ways of improving EDFs when all spin and isospin exchanges are introduced with finite-range terms.

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HFB3: an axial HFB solver with Gogny forces using a 2-center HO basis (C++/Python)

The HFB3 program solves the axial nuclear Hartree-Fock-Bogoliubov (HFB) equations using bases formed by either one or two sets of deformed Harmonic Oscillator (HO) solutions with D1-type and D2-type Gogny effective nucleon-nucleon interactions. Using two sets of HO solutions shifted along the z-axis (2-center basis) allows to accurately describe highly elongated nuclear systems while keeping a moderate basis size, making this type of basis very convenient for the description of the nuclear fission process. For the description of odd-even and odd-odd systems, the equal-filling-approximation is used. Several observables can be calculated by the program, including the mean values of the multipole moments, nuclear radii, inertia tensors following Adiabatic Time-Dependent Hartree-Fock-Bogoliubov (ATDHFB) or Generator Coordinate Method (GCM) prescriptions, local and non-local one-body densities, local and non-local pairing densities, some fission fragment properties, etc. The program can ensure that the mean values associated with some specific operators take pre-defined values (constraints). Such constraints can be set on the usual multipole moments (for protons, neutrons or total mass). This program can be used as a monoprocess and monothreaded CLI executable, or through full-featured Python bindings (available through the Python Package Index PyPI).

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From Asymmetric to Symmetric Fission in the Fermium Isotopes within the Time-Dependent GCM Formalism

Predicting the properties of neutron-rich nuclei far from the valley of stability is one of the major challenges of modern nuclear theory. In heavy and superheavy nuclei, a difference of only a few neutrons is sufficient to change the dominant fission mode. A theoretical approach capable of predicting such rapid transitions for neutron-rich systems would be a valuable tool to better understand r-process nucleosynthesis or the decay of super-heavy elements. In this work, we investigate for the first time the transition from asymmetric to symmetric fission through the calculation of primary fission yields with the time-dependent generator coordinate method (TDGCM). We choose here the transition in neutron-rich Fermium isotopes, which was the first to be observed experimentally in the late seventies and is often used as a benchmark for theoretical studies. We compute the primary fission fragment mass and charge yields for 254 Fm, 256 Fm and 258 Fm from the TDGCM under the Gaussian overlap approximation. The static part of the calculation (generation of a potential energy surface) consists in a series of constrained Hartree-Fock-Bogoliubov calculations based on the D1S, D1M or D1N parameterizations of the Gogny effective interaction in a two-center harmonic oscillator basis. The 2-dimensional dynamics in the collective space spanned by the quadrupole and octupole moments is then computed with the finite element solver FELIX-2.0. The available experimental data and the TDGCM post-dictions are consistent and agree especially on the position in the Fermium isotopic chain at which the transition occurs. The main limitation of the method lies in the presence of discontinuities in the 2-dimensional manifold of generator states.

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FELIX-2.0: New version of the finite element solver for the time dependent generator coordinate method with the Gaussian overlap approximation

The time-dependent generator coordinate method (TDGCM) is a powerful method to study the large amplitude collective motion of quantum many-body systems such as atomic nuclei. Under the Gaussian Overlap Approximation (GOA), the TDGCM leads to a local, time-dependent Schrödinger equation in a multi-dimensional collective space. In this paper, we present the version 2.0 of the code FELIX that solves the collective Schrödinger equation in a finite element basis. This new version features: (i) the ability to solve a generalized TDGCM+GOA equation with a metric term in the collective Hamiltonian, (ii) support for new kinds of finite elements and different types of quadrature to compute the discretized Hamiltonian and overlap matrices, (iii) the possibility to leverage the spectral element scheme, (iv) an explicit Krylov approximation of the time propagator for time integration instead of the implicit Crank-Nicolson method implemented in the first version, (v) an entirely redesigned workflow. We benchmark this release on an analytic problem as well as on realistic two-dimensional calculations of the low-energy fission of Pu240 and Fm256. Low to moderate numerical precision calculations are most efficiently performed with simplex elements with a degree 2 polynomial basis. Higher precision calculations should instead use the spectral element method with a degree 4 polynomial basis. We emphasize that in a realistic calculation of fission mass distributions of Pu240, FELIX-2.0 is about 20 times faster than its previous release (within a numerical precision of a few percents).

physics.comp-ph

Fission fragment charge and mass distributions in 239Pu(n,f) in the adiabatic nuclear energy density functional theory

Accurate knowledge of fission fragment yields is an essential ingredient of numerous applications ranging from the formation of elements in the r-process to fuel cycle optimization for nuclear energy. The need for a predictive theory applicable where no data is available is an incentive to develop a fully microscopic approach to fission dynamics. In this work, we calculate the pre-neutron emission charge and mass distributions of the fission fragments formed in the neutron-induced fission of 239Pu using a microscopic method based on nuclear energy density functional (EDF) method, where large amplitude collective motion is treated adiabatically using the time dependent generator coordinate method (TDGCM) under the Gaussian overlap approximation (GOA). Fission fragment distributions are extracted from the flux of the collective wave packet through the scission line. We find that the main characteristics of the fission charge and mass distributions can be well reproduced by existing energy functionals even in two-dimensional collective spaces. Theory and experiment agree typically within 2 mass units for the position of the asymmetric peak. As expected, calculations are sensitive to the structure of the initial state and the prescription for the collective inertia. We emphasize that results are also sensitive to the continuity of the collective landscape near scission. Our analysis confirms that the adiabatic approximation provides an effective scheme to compute fission fragment yields. It also suggests that, at least in the framework of nuclear DFT, three-dimensional collective spaces may be a prerequisite to reach 10% accuracy in predicting pre-neutron emission fission fragment yields.

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FELIX-1.0: A finite element solver for the time dependent generator coordinate method with the Gaussian overlap approximation

We describe the software package FELIX that solves the equations of the time-dependent generator coordinate method (TDGCM) in N-dimensions (N $\geq$ 1) under the Gaussian overlap approximation. The numerical resolution is based on the Galerkin finite element discretization of the collective space and the Crank-Nicolson scheme for time integration. The TDGCM solver is implemented entirely in C++. Several additional tools written in C++, Python or bash scripting language are also included for convenience. In this paper, the solver is tested with a series of benchmarks calculations. We also demonstrate the ability of our code to handle a realistic calculation of fission dynamics.

physics.comp-ph

New fission fragment distributions and r-process origin of the rare-earth elements

Neutron star (NS) merger ejecta offer a viable site for the production of heavy r-process elements with nuclear mass numbers A > 140. The crucial role of fission recycling is responsible for the robustness of this site against many astrophysical uncertainties, but calculations sensitively depend on nuclear physics. In particular the fission fragment yields determine the creation of 110 < A < 170 nuclei. Here we apply a new scission-point model, called SPY, to derive the fission fragment distribution (FFD) of all relevant neutron-rich, fissioning nuclei. The model predicts a doubly asymmetric FFD in the abundant A ~ 278 mass region that is responsible for the final recycling of the fissioning material. Using ejecta conditions based on relativistic NS merger calculations we show that this specific FFD leads to a production of the A ~ 165 rare-earth peak that is nicely compatible with the abundance patterns in the Sun and metal-poor stars. This new finding further strengthens the case of NS mergers as possible dominant origin of r-nuclei with A > 140.

astro-ph.SR

Structure properties of ${}^{226}$Th and ${}^{256,258,260}$Fm fission fragments: mean field analysis with the Gogny force

The constrained Hartree-Fock-Bogoliubov method is used with the Gogny interaction D1S to calculate potential energy surfaces of fissioning nuclei ${}^{226}$Th and ${}^{256,258,260}$Fm up to very large deformations. The constraints employed are the mass quadrupole and octupole moments. In this subspace of collective coordinates, many scission configurations are identified ranging from symmetric to highly asymmetric fragmentations. Corresponding fragment properties at scission are derived yielding fragment deformations, deformation energies, energy partitioning, neutron binding energies at scission, neutron multiplicities, charge polarization and total fragment kinetic energies.

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Nuclei with Tetrahedral Symmetry

We discuss a point-group-theory based method of searching for new regions of nuclear stability. We illustrate the related strategy with realistic calculations employing the tetrahedral and the octahedral point groups. In particular, several nuclei in the Rare Earth region appear as excellent candidates to study the new mechanism.

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GDR Feeding of the Highly-Deformed Band in 42Ca

The gamma-ray spectra from the decay of the GDR in the compound nucleus reaction 18O+28Si at bombarding energy of 105 MeV have been measured in an experiment using the EUROBALL IV and HECTOR arrays. The obtained experimental GDR strength function is highly fragmented, with a low energy (10 MeV) component, indicating a presence of a large deformation and Coriolis effects. In addition, the preferential feeding of the highly-deformed band in 42Ca by this GDR low energy component is observed.

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Evidence for the Jacobi shape transition in hot 46Ti

The gamma-rays from the decay of the GDR in 46Ti compound nucleus formed in the 18O+28Si reaction at bombarding energy 105 MeV have been measured in an experiment using a setup consisting of the combined EUROBALL IV, HECTOR and EUCLIDES arrays. A comparison of the extracted GDR lineshape data with the predictions of the thermal shape fluctuation model shows evidence for the Jacobi shape transition in hot 46Ti. In addition to the previously found broad structure in the GDR lineshape region at 18-27 MeV caused by large deformations, the presence of a low energy component (around 10 MeV), due to the Coriolis splitting in prolate well deformed shape, has been identified for the first time.

nucl-ex