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D. Lacroix

Publications and source records attributed to D. Lacroix.

At least 19 recordsLinked to original sources

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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Thermophysical properties of n-hexadecane: Combined Molecular Dynamics and experimental investigations

Investigating properties of phase change materials (PCMs) is an important issue due to their extensive use in heat storage systems and thermal regulation devices. Improvement of the efficiency of such systems should be based on a better knowledge of the microscopic mechanisms governing the thermal and rheological characteristics of PCMs. This may be accomplished by the use of molecular simulations of the aforementioned quantities and their linkage with macroscale investigations. In this work, we studied thermophysical properties of $n$-hexadecane for different temperatures regimes using molecular dynamics (MD) and carry out several experimental measurements. Particularly, we focused on the evaluation of various rheological and thermal properties such as thermal conductivity, $κ$, viscosity, $η$, diffusion coefficient, $D$, and heat capacities $C_p$ and $C_v$. Special attention was paid to the comparison of the results of simulations with experimental ones.

physics.app-ph

Accessing ground state and excited states energies in many-body system after symmetry restoration using quantum computers

We explore the possibility to perform symmetry restoration with the variation after projection technique on a quantum computer followed by additional post-processing. The final goal is to develop configuration interaction techniques based on many-body trial states pre-optimized on a quantum computer. We show how the projection method used for symmetry restoration can prepare optimized states that could then be employed as initial states for quantum or hybrid quantum-classical algorithms. We use the quantum phase estimation and quantum Krylov approaches for the post-processing. The latter method combined with the quantum variation after projection (Q-VAP) leads to very fast convergence towards the ground-state energy. The possibility to access excited states energies is also discussed. Illustrations of the different techniques are made using the pairing hamiltonian.

quant-ph

New type of self-oscillating systems

The time evolution of occupation number is studied for a bosonic oscillator (with one and two degrees of freedom) linearly fully coupled to fermionic and bosonic heat baths. The absence of equilibrium in this oscillator is discussed as a tool to create a dynamical non-stationary memory storage. The connection between such a system and the well-known nonlinear self-oscillating systems is demonstrated.

quant-ph

Applicability of the absence of equilibrium in quantum system fully coupled to several fermionic and bosonic heat baths

The time evolution of occupation number is studied for fermionic or bosonic oscillator linearly fully coupled to several fermionic and bosonic heat baths. The influence of characteristics of thermal reservoirs of different statistics on the non-stationary population probability is analyzed at large times. Applications of the absence of equilibrium in such systems for creating a dynamic (nonstationary) memory storage are discussed.

quant-ph

Thermal properties study of silicon nanostructures by photoacoustic techniques

The photoacoustic method with piezoelectric detection for the simultaneous evaluation of the thermophysical properties is proposed. The approach is based on the settling of an additional heat sink for redistribution of heat fluxes deposited on the sample surface. Firstly, the approach was tested on the porous silicon with well-defined morphology and well-studied properties. Then, heat capacity and thermal conductivity of silicon nanowires arrays have been investigated by recovering the experimental data through numerical simulations. The decrease of heat capacity and effective thermal conductivity of the samples upon increasing thickness and porosity of the sample is observed. Such behavior could be caused by the increase of the structure heterogeneity. In particular, this can be related to larger disorder (increased density of broken nanowires and larger porosity) that appears during the etching process of the thick layers.

cond-mat.mes-hall

Symmetry assisted preparation of entangled many-body states on a quantum computer

Starting from the Quantum-Phase-Estimate (QPE) algorithm, a method is proposed to construct entangled states that describe correlated many-body systems on quantum computers. Using operators for which the discrete set of eigenvalues is known, the QPE approach is followed by measurements that serve as projectors on the entangled states. These states can then be used as inputs for further quantum or hybrid quantum-classical processing. When the operator is associated to a symmetry of the Hamiltonian, the approach can be seen as a quantum--computer formulation of symmetry breaking followed by symmetry restoration. The method proposed in this work, called Discrete Spectra Assisted (DSA), is applied to superfluid systems. By using the blocking technique adapted to qubits, the full spectra of a pairing Hamiltonian is obtained.

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Features of photothermal transformation in porous silicon based multilayered structures

This paper is devoted to the study of photothermal transformations in multilayered structures. As a modelled sample, porous silicon with a periodic distribution of the porosity was chosen. The spatial distribution of the optical properties inside the structure was evaluated under Brugmann approximation. The heat sources arising as a result of electromagnetic radiation absorption in the structure were estimated by solving Maxwell equations. This allowed us to calculate temperature profiles inside photo-excited sample. For experimental measurements, photoacoustic set-up with a gas-microphone transduction system was chosen to investigate thermal properties of the structure. The results of the photoacoustic response simulation based on the gas-piston model demonstrated an excellent agreement with experiments. This allows a reliable evaluation of the thermal conductivity by fitting the experimental amplitude-frequency photoacoustic signal with the simulated one.

cond-mat.mtrl-sci

Interplay between low-lying isoscalar and isovector dipole modes: a comparative analysis between semi-classical and quantum approaches

We perform Time Dependent Hartree-Fock (TDHF) calculations to investigate the small amplitude dipole response of selected neutron-rich nuclei and Sn isotopes. A detailed comparison with the dipole strength predicted by Random-Phase Approximation (RPA) calculations is presented for the first time. TDHF results are also confronted to Vlasov calculations, to explore up to which extent a semi-classical picture can explain the properties of the nuclear response. The focus is on the low-energy response, below the Giant Dipole Resonance region, where different modes of non negligible strength are identified. We show that the relative weight of these excitations evolves with nuclear global features, such as density profile and neutron skin, which in turn reflect impor tant properties of the nuclear effective interaction. A thorough analysis of the associated transition densities turns out to be quite useful to better characterize the mixed isoscalar(IS)/isovector(IV) nature of the different modes and their surface/volume components. In particular, we show that the dipole response in the so-called Pygmy Dipole Resonance region corresponds to isoscalar-like surface oscillations, of larger strength in nuclei with a more diffuse surface. The ratio between the IV and IS Energy Weighted Sum Rule fractions exhausted in this region is shown to almost linearly increase with the neutron skin thickness in Sn isotopes.

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Microscopic description of pair transfer between two superfluid systems (II): a quantum mixing of Time-Dependent Hartree-Fock Bogolyubov trajectories

While superfluidity is accurately grasped with a state that explicitly breaks the particle number symmetry, a precise description of phenomena like the particle transfer during heavy-ion reactions can only be achieved by considering systems with good particle numbers. We investigate the possibility to restore particle number in many-body dynamical problems by mixing-up several Time-Dependent Hartree-Fock Bogolyubov (TDHFB) trajectories. In our approach, each trajectory is independent from the others and the quantum mixing between trajectories is deduced from a variational principle. The associated theory can be seen as a simplified version of the Multi-Configuration TDHFB (MC-TDHFB) theory. Its accuracy to tackle the problem of symmetry restoration in dynamical problems is illustrated for the case of two superfluid systems that exchange particles during a short time. In Ref. [Phys. Rev. C 97, 034627 (2018)], using a schematic model where two systems initially described by a pairing Hamiltonians are coupled during a short contact time, it was demonstrated that statistical mixing of TDHFB trajectories can only qualitatively describe the transfer process and that a fully quantum treatment is mandatory. We show here that the present MC-TDHFB approach gives an excellent agreement with the exact solution when the two superfluids are the same (symmetric case) or different (asymmetric case) and from weak to strong interaction strength. Finally, we discuss the benefits and bottleneck of this method in view of its application to realistic systems.

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Heat transfer in rough nanofilms and nanowires using Full Band Ab Initio Monte Carlo simulation

The Boltzmann transport equation is one of the most relevant framework to study the heat transport at the nanoscale, beyond the diffusive regime and up to the micrometer-scale. In the general case of three-dimensional devices, the particle Monte Carlo approach of phonon transport is particularly powerful and convenient, and requires reasonable computational resources. In this work, we propose an original and versatile particle Monte Carlo approach parametrized by using ab-initio data. Both the phonon dispersion and the phonon-phonon scattering rates have been computed by DFT calculation in the entire 3D Brillouin zone. To treat the phonon transport at rough interfaces, a combination of specular and diffuse reflections has been implemented in phase space. Thermal transport has been investigated in nanowires and thin films made of cubic and hexagonal Silicon, including edge roughness, in terms of effective thermal conductivity, phonon band contributions and heat flux orientation. It is shown that the effective thermal conductivity in quasi-ballistic regime obtained from our Monte Carlo simulation cannot be accurately fitted by simple semi-analytical Matthiessen-like models and that spectral approaches are mandatory to get good results. Our Full Band approach shows that some phonon branches exhibiting a negative group velocity in some parts of the Brillouin zone may contribute negatively to the total thermal flux. Besides, the thermal flux clearly appears to be oriented along directions of high density of states. The resulting anisotropy of the heat flux is discussed together with the influence of rough interfaces.

cond-mat.mes-hall

Connecting the nuclear EoS to the interplay between fusion and quasifission processes in low-energy nuclear reactions

Within the Time Dependent Hartree Fock (TDHF) approach, we investigate the impact of several ingredients of the nuclear effective interaction, such as incompressibility, symmetry energy, effective mass, derivative of the Lane potential and surface terms on the exit channel (fusion vs quasifission) observed in the reaction $^{238}$U+$^{40}$Ca, close to the Coulomb barrier. Our results show that all the ingredients listed above contribute to the competition between fusion and quasifission processes, however the leading role in determining the outcome of the reaction is played by incompressibility, symmetry energy and the isoscalar coefficient of the surface term. This study unravels the complexity of the fusion and quasifission reaction dynamics and helps to understand the microscopic processes responsible for the final outcome of low energy heavy ion collisions in terms of relevant features of the nuclear effective interaction and associated equation of state (EoS).

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Pre-equilibrium effects of the hot nuclei de-excitation via GDR emission - theoretical approach

The hot rotating nuclei could be formed in the complete and incomplete fusion reaction of two heavy ions. At low bombarding energies the reaction goes via compound nucleus formation and subsequent evaporation of charged particles, neutrons and $γ$-rays. However, with increasing the energy of the projectile, the emission of particles during the equilibration process becomes more and more probable. This effect can be estimated by the Heavy-Ion Phase-Space Exploration (HIPSE) code which describes the production of clusters of various size from nucleons initially in the target or projectile. This dynamic evolution finalizes with the compound nuclei, quasi-fission or multi-fragmentation products. The hot rotating nuclei produced in fusion reaction can de-excitate by evaporation of particles and emission of $γ$-rays from the Giant Dipole Resonance, or by fission into two fragments. These processes, evaporation and fission, are described within statistical codes such as GEMINI++ or in dynamical approaches by solving the transport equations of Langevin type. In the present article we will concentrate on the possible effect of the pre-equilibrium emission on the strength function of the effective Giant Dipole Resonance, which can be described within Thermal Shape Fluctuation Model (TSFM) approach.

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Toward a systematic strategy for defining power counting in the construction of the energy density functional theory

We propose a new scheme for constructing an effective-field-theory-based interaction to be used in the energy-density-functional (EDF) theory with specific assumptions for defining a power counting. This procedure is developed through the evaluation of the equation of state (EOS) of symmetric and pure neutron matter going beyond the mean-field scheme and using a functional defined up to next-to-leading order (NLO), that we will call NLO EDF. A Skyrme-like interaction is constructed based on the condition of renormalizibility and on a power counting on $k_F/Λ_{hi}$, where $k_F$ is the Fermi momentum and $Λ_{hi}$ is the breakdown scale of our expansion. To absorb the divergences present in beyond mean-field diagrams, counter interactions are introduced for the NLO EDF and determined through renormalization conditions. In particular, three scenarios are explored and all of them lead to satisfactory results. These counter interactions contain also parameters which do not contribute to the EOS of matter and may eventually be determined through future adjustments to properties of some selected finite nuclei. Our work serves as a simple starting point for constructing a well-defined power counting within the EDF framework.

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A Lee-Yang--inspired functional with a density--dependent neutron-neutron scattering length

Inspired by the low--density Lee-Yang expansion for the energy of a dilute Fermi gas of density $ρ$ and momentum $k_F$, we introduce here a Skyrme--type functional that contains only $s$-wave terms and provides, at the mean--field level, (i) a satisfactory equation of state for neutron matter from extremely low densities up to densities close to the equilibrium point, and (ii) a good--quality equation of state for symmetric matter at density scales around the saturation point. This is achieved by using a density--dependent neutron-neutron scattering length $a(ρ$) which satisfies the low--density limit (for Fermi momenta going to zero) and has a density dependence tuned in such a way that the low--density constraint $|a(ρ) k_F| \le 1$ is satisfied at all density scales.

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Time-dependent mean field determination of the excitation energy in transfer reactions: application to the reaction $^{238}$U on $^{12}$C at 6.14 MeV/A

The internal excitation of nuclei after multi-nucleon transfer is estimated by using the time-dependent mean-field theory. Transfer probabilities for each channel as well as the energy loss after re-separation are calculated. By combining these two informations, we show that the excitation energy distribution of the transfer fragments can be obtained separately for the different transfer channels. The method is applied to the reaction involving a $^{238}$U beam on a $^{12}$C target, which has recently been measured at GANIL. It is shown that the excitation energy calculated with the microscopic theory compares well with the experimental observation, provided that the competition with fusion is properly taken into account. The reliability of the excitation energy is further confirmed by the comparison with the phenomenological HIPSE model at higher center of mass energies.

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