In this manuscript we provide an outline of the numerical methods used in implementing the density constrained time-dependent Hartree-Fock (DC-TDHF) method and provide a few examples of its application to nuclear fusion. In this approach, dynamic microscopic calculations are carried out on a three-dimensional lattice and there are no adjustable parameters, the only input is the Skyrme effective NN interaction. After a review of the DC-TDHF theory and the numerical methods, we present results for heavy-ion potentials $V(R)$, coordinate-dependent mass parameters $M(R)$, and precompound excitation energies $E^{*}(R)$ for a variety of heavy-ion reactions. Using fusion barrier penetrabilities, we calculate total fusion cross sections $σ(E_\mathrm{c.m.})$ for reactions between both stable and neutron-rich nuclei. We also determine capture cross sections for hot fusion reactions leading to the formation of superheavy elements.
We study fusion reactions of the $^{64}$Ni+$^{132}$Sn system using the recently introduced density constrained time-dependent Hartree-Fock formalism. In this formalism the fusion barriers are directly obtained from TDHF dynamics. In addition, we incorporate the entrance channel alignment of the deformed (oblate) $^{64}$Ni nucleus due to dynamical Coulomb excitation. We discuss the influence of particle transfer and other dynamical effects on the fusion cross sections. Calculated cross sections are in very good agreement with data and other calculations.
The density-constrained time-dependent Hartree-Fock (DC-TDHF) theory is a fully microscopic approach for calculating heavy-ion interaction potentials and fusion cross sections below and above the fusion barrier. We discuss recent applications of DC-TDHF method to fusion of light and heavy systems.
We study fusion reactions of the $^{64}$Ni+$^{64}$Ni system using the density-constrained time-dependent Hartree-Fock (TDHF) formalism. In this formalism the fusion barriers are directly obtained from TDHF dynamics. In addition, we incorporate the entrance channel alignments of the slightly deformed (oblate) $^{64}$Ni nuclei due to dynamical Coulomb excitation. We show that alignment leads to a fusion barrier distribution and alters the naive picture for defining which energies are actually sub-barrier. We also show that core polarization effects could play a significant role in fusion cross s…
We discuss the implementation and results of a recently developed microscopic method for calculating ion-ion interaction potentials and fusion cross-sections. The method uses the TDHF evolution to obtain the instantaneous many-body collective state using a density constraint. The ion-ion potential as well as the coordinate dependent mass are calculated from these states. The method fully accounts for the dynamical processes present in the TDHF time-evolution and provides a parameter-free way of calculating fusion cross-sections.
We study heavy-ion fusion reactions at energies near the Coulomb barrier, in particular with neutron-rich radioactive ion beams. Dynamic microscopic calculations are carried out on a three-dimensional lattice using the Density-Constrained Time-Dependent Hartree-Fock (DC-TDHF) method. New results are presented for the $^{132}$Sn+$^{40}$Ca system which are compared to $^{132}$Sn+$^{48}$Ca studied earlier. Our theoretical fusion cross-sections agree surprisingly well with recent data measured at HRIBF. We also study the near- and sub-barrier fusion of $^{24,16}$O on $^{12}$C which is important to…
Background: Studies of low-energy fusion of light nuclei are important in astrophysical modeling, with small variations in reaction rates having a large impact on nucleosynthesis yields. Due to the lack of experimental data at astrophysical energies, extrapolation and microscopic methods are needed to model fusion probabilities. Purpose: To investigate deep sub-barrier $^{12}$C+$^{12}$C fusion cross sections and establish trends for the $S$ factor. Method: Microscopic methods based on static Hartree-Fock (HF) and time-dependent Hartree-Fock (TDHF) mean-field theory are used to obtain $^{12}$C+…
The density-constrained time-dependent Hartree-Fock (DC-TDHF) theory is a fully microscopic approach for calculating heavy-ion interaction potentials and fusion cross sections below and above the fusion barrier. We discuss recent applications of DC-TDHF method to fusion of light and heavy neutron-rich systems.
Fusion cross-sections are computed for the $^{40}$Ca$+^{40}$Ca system over a wide energy range with two microscopic approaches where the only phenomenological input is the Skyrme energy density functional. The first method is based on the coupled-channels formalism, using the bare nucleus-nucleus potential calculated with the frozen Hartree-Fock technique and the deformation parameters of vibrational states computed with the time-dependent Hartree-Fock (TDHF) approach. The second method is based on the density-constrained TDHF method to generate nucleus-nucleus potentials from TDHF evolution. …
We carried out a simulation of heavy ion collision using a time-dependent density functional theory. We call it the canonical-basis time-dependent Hartree-Fock-Bogoliubov theory (Cb-TDHFB) which can describe nuclear dynamics in three-dimensional coordinate space, treating nuclear pairing correlation. We simulate 20O+20O collision using the Cb-TDHFB with a contact-type pairing functional, and show the behavior of gap energy which is decreasing and vibrating while colliding.
We present background concepts of the nuclear density functional theory (DFT) and applications of the time-dependent DFT with the Skyrme energy functional for nuclear response functions. Practical methods for numerical applications of the time-dependent Hartree-Fock-Bogoliubov theory (TDHFB) are proposed; finite amplitude method and canonical-basis TDHFB. These approaches are briefly reviewed and some numerical applications are shown to demonstrate their feasibility.
Background: Synthesis of superheavy elements (SHE) with fusion-evaporation reactions is strongly hindered by the quasifission (QF) mechanism which prevents the formation of an equilibrated compound nucleus and which depends on the structure of the reactants. New SHE have been recently produced with doubly-magic $^{48}$Ca beams. However, SHE synthesis experiments with single-magic $^{50}$Ti beams have so far been unsuccessful. Purpose: In connection with experimental searches for $Z=117,119$ superheavy elements, we perform a theoretical study of fusion and quasifission mechanisms in $^{48}$Ca,$…
We perform a study of $^{16}$O+$^{16}$O fusion at above and below the interaction barrier energies using three-dimensional time-dependent Hartree-Fock (TDHF) calculations at above barrier energies and density-constrained TDHF calculations for the entire energy range. We discuss the variations of the experimental data at above the barrier energies. Calculations reasonably reproduce the observed energy-dependent broad oscillations in the fusion excitation functions. These oscillations result from overcoming $L$-dependent fusion barriers. The role of the coupling to low-lying octupole states is a…
Background: The study of deep-inelastic reactions of nuclei provide a vehicle to investigate nuclear transport phenomena for a full range of equilibration dynamics. These inquires provide us the ingredients to model such phenomena and help answer important questions about the nuclear Equation of State (EOS) and its evolution as a function of neutron-to-proton $(N/Z)$ ratio. Purpose: The motivation is to examine the real-time dynamics of nuclear transport phenomena and its dependence on $(N/Z)$ asymmetry from a microscopic point of view to avoid any pre-conceived assumptions about the involved …
We discuss possible avenues to study fission dynamics starting from a time-dependent mean-field approach. Previous attempts to study fission dynamics using the time-dependent Hartree-Fock (TDHF) theory are analyzed. We argue that different initial conditions may be needed to describe fission dynamics depending on the specifics of the fission phenomenon and propose various approaches towards this goal. In particular, we provide preliminary calculations for studying fission following a heavy-ion reaction using TDHF with a density contraint. Regarding prompt muon-induced fission, we also suggest …
Background: The Density-constraint Time-dependent Hartree-Fock method is currently the tool of choice to predict fusion cross-sections. However, it does not include pairing correlations, which have been found recently to play an important role. Purpose: To describe the fusion cross-section with a method that includes the superfluidity and to understand the impact of pairing on both the fusion barrier and cross-section. Method: The density-constraint method is tested first on the following reactions without pairing, $^{16}$O+$^{16}$O and $^{40}$Ca+$^{40}$Ca. A new method is developed, the Densi…
The nuclear mean-field model based on Skyrme forces or related density functionals has found wide-spread application to the description of nuclear ground states, collective vibrational excitations, and heavy-ion collisions. The code Sky3D solves the static or dynamic equations in a three-dimensional Cartesian mesh with isolated or periodic boundary conditions and no further symmetry assumptions. Pairing can be included in the BCS approximation. The code is implemented with a view to allow easy modifications for including additional physics or special analysis of the results.
A recent interpretation of the caloric curve based on the expansion of the abraded spectator nucleus is re-analysed in the framework of the Time-Dependent Hartree-Fock (TDHF) evolution. It is shown that the TDHF dynamics is more complex than a single monopolar collective motion at moderate energy. The inclusion of other important collective degrees of freedom may lead to the dynamical creation of hollow structure. Then, low density regions could be locally reached after a long time by the creation of these exotic density profiles. In particular the systematic of the minimum density reached dur…
It is the aim of this paper to discuss the impact of nuclear fusion on the EOS. This is a timely subject given the expected availability of increasingly exotic beams at rare isotope facilities\,\cite{balantekin2014}. In practice, we focus on $^{48}$Ca+$^{48}$Ca fusion. We employ three different approaches to calculate fusion cross-sections for a set of energy density functionals with systematically varying nuclear matter properties. Fusion calculations are performed using frozen densities, using a dynamic microscopic method based on density-constrained time-dependent Hartree-Fock (DC-TDHF) app…
Couplings between relative motion and internal structures are known to affect fusion barriers by dynamically modifying the densities of the colliding nuclei. The effect is expected to be stronger at energies near the barrier top, where changes in density have longer time to develop than at higher energies. Quantitatively, modern TDHF calculations are able to predict realistic fusion thresholds. However, the evolution of the potential barrier with bombarding energy remains to be confronted with the experimental data. The aim is to find signatures of the energy dependence of the barrier by compa…
It has been known that the time-dependent Hartree-Fock (TDHF) method, or the time-dependent density functional theory (TDDFT), fails to describe many-body quantum tunneling. We overcome this problem by superposing a few time-dependent Slater determinants with the time-dependent generator coordinate method (TDGCM). We apply this method to scattering of two $α$ particles in one dimension, and demonstrate that the TDGCM method yields a finite tunneling probability even at energies below the Coulomb barrier, at which the tunneling probability is exactly zero in the TDHF. This is the first case in …
Octupole vibrations are studied in some doubly magic nuclei using the time-dependent Hartree-Fock (TDHF) theory with a Skyrme energy density functional. Through the use of the linear response theory, the energies and transition amplitudes of the low-lying vibrational modes for each of the nuclei were determined. Energies were found to be close to experimental results. However, transition amplitudes, quantified by the deformation parameter $β_3$, are underestimated by TDHF. A comparison with single-particle excitations on the Hartree-Fock ground-state shows that the collective octupole vibratio…
The Skyrme effective interaction, with its multitude of parameterisations, along with its implemen- tation using the static and time-dependent density functional (TDHF) formalism have allowed for a range of microscopic calculations of low-energy heavy-ion collisions. These calculations allow variation of the effective interaction along with an interpretation of the results of this variation informed by a comparison to experimental data. Initial progress in implementing TDHF for heavy-ion collisions necessarily used many approximations in the geometry or the interaction. Over the last decade or…
Background: Near-barrier fusion can be strongly affected by the coupling between relative motion and internal degrees of freedom of the collision partners. The time-dependent Hartree-Fock (TDHF) theory and the coupled-channels (CC) method are standard approaches to investigate this aspect of fusion dynamics. However, both approaches present limitations, such as a lack of tunnelling of the many-body wave function in the former and a need for external parameters to describe the nucleus-nucleus potential and the couplings in the latter. Method: A method combining both approaches is proposed to ov…
We provide a microscopic description of the fusion reactions between $^{40,48}$Ca and $^{78}$Ni. The internuclear potentials are obtained using the density-constrained (DC) time-dependent Hartree-Fock (TDHF) approach and fusion cross sections are calculated via the incoming wave boundary condition method. By performing DC-TDHF calculations at several selected incident energies, the internuclear potentials for both systems are obtained and the energy-dependence of fusion barrier are revealed. The influence of tensor force on internuclear potentials of $^{48}\mathrm{Ca}+{}^{78}\mathrm{Ni}$ is mo…
Background: [elided for arXiv character count] Purpose: With the advancement of computational power it is now possible to undertake TDHF calculations without any symmetry assumptions and incorporate the major strides made by the nuclear structure community in improving the energy density functionals used in these calculations. In particular, time-odd and tensor terms in these functionals are naturally present during the dynamical evolution, while being absent or minimally important for most static calculations. The parameters of these terms are determined by the requirement of Galilean invaria…
Collisions of actinide nuclei form, during very short times of few zs ($10^{-21}$ s), the heaviest ensembles of interacting nucleons available on Earth. Such collisions are used to produce super-strong electric fields by the huge number of interacting protons to test spontaneous positron-electron pair emission (vacuum decay) predicted by the quantum electrodynamics (QED) theory. Multi-nucleon transfer in actinide collisions could also be used as an alternative way to fusion in order to produce neutron-rich heavy and superheavy elements thanks to inverse quasifission mechanisms. Actinide collis…
The strength functions of the DGDRs in 16O and 40Ca are calculated using an extended version of TDHF known as the time-dependent density-matrix theory (TDDM). The calculations are done in a self-consistent manner, in which the same Skyrme force as that used for the mean-field potential is used as the residual interaction to calculate two-body correlations. It is found that the DGDR in 16O has a large width due to the Landau damping, although the centroid energy of the DGDR is close to twice the energy of the GDR calculated in RPA. The DGDR in 40Ca is found more harmonic than that in 16O.
We study pre-equilibrium giant dipole resonance excitation and fusion in the neutron-rich system $^{132}$Sn+$^{48}$Ca at energies near the Coulomb barrier, and we compare photon yields and total fusion cross sections to those of the stable system $^{124}$Sn+$^{40}$Ca. The dynamic microscopic calculations are carried out on a three-dimensional lattice using both the Time-Dependent Hartree-Fock method and the Density Constrained TDHF method. We demonstrate that the peak of the GDR excitation spectrum occurs at a substantially lower energy than expected for an equilibrated system, thus reflecting…
Background: The tensor interaction is known to play an important role in the nuclear structure studies of exotic nuclei. However, most microscopic studies of low-energy nuclear reactions neglect the tensor force, resulting in a lack of knowledge concerning the effect of the tensor force on HIC...... Purpose: The theoretical study of the influence of the tensor force on heavy-ion interaction potentials is required to further our understanding of the microscopic mechanisms entailed in fusion dynamics. Method: The full Skyrme tensor force is implemented into the static Hartree-Fock and dynamic de…
We investigate the entrance channel dynamics for the reactions $\mathrm{^{70}Zn}+\mathrm{^{208}Pb}$ and $\mathrm{^{48}Ca}+\mathrm{^{238}U}$ using the fully microscopic time-dependent Hartree-Fock (TDHF) theory coupled with a density constraint. We calculate excitation energies and capture cross-sections relevant for the study of superheavy formations. We discuss the deformation dependence of the ion-ion potential for the $\mathrm{^{48}Ca}+\mathrm{^{238}U}$ system and perform an alignment angle averaging for the calculation of the capture cross-section. The results show that this parameter-free…
We investigate the fusion barriers for reactions involving Ca isotopes $\mathrm{^{40}Ca}+\mathrm{^{40}Ca}$, $\mathrm{^{40}Ca}+\mathrm{^{48}Ca}$, and $\mathrm{^{48}Ca}+\mathrm{^{48}Ca}$ using the microscopic time-dependent Hartree-Fock theory coupled with a density constraint. In this formalism the fusion barriers are directly obtained from TDHF dynamics. We also study the excitation of the pre-equilibrium GDR for the $\mathrm{^{40}Ca}+\mathrm{^{48}Ca}$ system and the associated $γ$-ray emission spectrum. Fusion cross-sections are calculated using the incoming-wave boundary condition approach. …
Recently measured fusion cross-sections for the neutron-rich system 20O+12C are compared to dynamic, microscopic calculations using time-dependent density functional theory. The calculations are carried out on a three-dimensional lattice and performed both with and without a constraint on the density. The method has no adjustable parameters, and its only input is the Skyrme effective NN interaction. While the microscopic DC-TDHF calculations lie closer to the experimental data than standard fusion systematics they underpredict the experimental data significantly.
Background: Heavy-ion fusion reactions involving heavy nuclei at energies around the Coulomb barrier exhibit fusion hindrance, where the probability of compound nucleus formation is strongly hindered compared with that in light- and medium-mass systems. The origin of this fusion hindrance has not been well understood from a microscopic point of view. Purpose: Analyze the fusion dynamics in heavy systems by a microscopic reaction model and understand the origin of the fusion hindrance. Method: We employ the time-dependent Hartree-Fock (TDHF) theory. We extract nucleus--nucleus potential and ene…
We report results of the first systematic simulation of proton and neutron density distributions in central heavy-ion collisions within the beam energy range of $ E_{\rm beam} \leq 800 \, \text{MeV/nucl}$ using pBUU and TDHF models. The symmetric $^\text{40}$Ca +$^\text{40}$Ca, $^\text{48}$Ca +$^\text{48}$Ca, $^\text{100}$Sn +$^\text{100}$Sn and $^\text{120}$Sn + $^\text{120}$Sn and asymmetric $^\text{40}$Ca +$^\text{48}$Ca and $^\text{100}$Sn +$^\text{120}$Sn systems were chosen for the simulations. We find limits on the maximum proton and neutron densities and the related proton-neutron asym…
Time-dependent random phase approximation for particle-number fluctuations and correlations in deep-inelastic collisions of $^{144}$Sm+$^{144}$Sm and $^{154}$Sm+$^{154}$Sm
本工作利用 TDHF 和 TDRPA 方法研究了 Sm 同位素深度非弹性碰撞，发现 TDRPA 能再现质量涨落分布与双微分截面，证实了单体耗散与涨落的主导作用及闭壳结构对核子转移的限制。
We present results for calculating fusion cross-sections using a new microscopic approach based on a time-dependent density-constrained DFT calculations. The theory is implemented by using densities and other information obtained from TDDFT time-evolution of the nuclear system as constraint on the density for DFT calculations.
We present a fully microscopic study of the $^{16}$O+$^{208}$Pb fusion using the density-constrained time-dependent Hartree-Fock theory. The calculated fusion cross-sections are in good agreement with the experimental data for the entire energy range indicating that the incorporation of dynamical effects is crucial in describing heavy-ion fusion.
The recent progress in the localized covariant density functional constrained by the relativistic Hartree-Fock theory is briefly presented by taking the Gamow-Teller resonance in 90Zr as an example. It is shown that the constraints introduced by the Fock terms into the particle-hole residual interactions are straight forward and robust.
The augmented Lagrangiam method (ALM), widely used in quantum chemistry constrained optimization problems, is applied in the context of the nuclear Density Functional Theory (DFT) in the self-consistent constrained Skyrme Hartree-Fock-Bogoliubov (CHFB) variant. The ALM allows precise calculations of multidimensional energy surfaces in the space of collective coordinates that are needed to, e.g., determine fission pathways and saddle points; it improves accuracy of computed derivatives with respect to collective variables that are used to determine collective inertia; and is well adapted to sup…
The geometry of fireballs in relativistic heavy ion collisions is approximated by a static box, which is infinite in two directions while finite in the other direction. The critical temperature of deconfinement phase transition is calculated explicitly in the MIT bag model at vanishing baryon density. It is found that the critical temperature shifts to a value higher than that in an unconstrained space.
A microscopic framework of nuclear energy density functionals is reviewed, which establishes a direct relation between low-energy QCD and nuclear structure, synthesizing effective field theory methods and principles of density functional theory. Guided by two closely related features of QCD in the low-energy limit: a) in-medium changes of vacuum condensates, and b) spontaneous breaking of chiral symmetry; a relativistic energy density functional is developed and applied in studies of ground-state properties of spherical and deformed nuclei.
A new method for constructing a Hamiltonian for configuration interaction calculations with constraints to energies of spherical configurations obtained with energy-density-functional (EDF) methods is presented. This results in a unified model that reproduced the EDF binding-energy in the limit of single-Slater determinants, but can also be used for obtaining energy spectra and correlation energies with renormalized nucleon-nucleon interactions. The three-body and/or density-dependent terms that are necessary for good nuclear saturation properties are contained in the EDF. Applications to bind…
We have developed a relativistic point-coupling model of nuclear many-body dynamics constrained by the low-energy sector of QCD. The effective Lagrangian is characterized by density-dependent coupling strengths determined by chiral one- and two-pion exchange (with single and double delta isobar excitations) and by large isoscalar background fields that arise through changes of the quark condensate and the quark density at finite baryon density. The model has been tested in the analysis of nuclear ground-state properties along different isotope chains of medium and heavy nuclei. The agreement w…
In this study, two novel improvements for the theoretical calculation of the neutron distributions are presented. First, the available experimental proton distributions are used as a constraint rather than inferred from the calculation. Second, the recently proposed distribution formula, d3pF, is used for the neutron density, which is more detailed than the usual shapes, for the first time in nuclear structure calculation. A semi-microscopic approach for binding energy calculation is considered in this study, however, the proposed improvements can be introduced to any other approach. The groun…
Considering the effects of charge screening, we propose a new numerical recipe within the framework of Thomas-Fermi approximation, where the properties of nuclear matter throughout a vast density range can be obtained self-consistently. Assuming spherical and cylindrical approximations for the Wigner-Seitz cell, typical nuclear matter structures (droplet, rod, slab, tube, bubble, and uniform) are observed. We then investigate the EOSs and microscopic structures of nuclear matter with both fixed proton fractions and $β$-equilibration, where two covariant density functionals DD-LZ1 and DD-ME2 ar…
The density matrix expansion (DME) of Negele and Vautherin is a convenient tool to map finite-range physics associated with vacuum two- and three-nucleon interactions into the form of a Skyme-like energy density functional (EDF) with density-dependent couplings. In this work, we apply the improved formulation of the DME proposed recently in arXiv:0910.4979 by Gebremariam {\it et al.} to the non-local Fock energy obtained from chiral effective field theory (EFT) two-nucleon (NN) interactions at next-to-next-to-leading-order (N$^2$LO). The structure of the chiral interactions is such that each c…
A relativistic nuclear energy density functional is developed, guided by two important features that establish connections with chiral dynamics and the symmetry breaking pattern of low-energy QCD: a) strong scalar and vector fields related to in-medium changes of QCD vacuum condensates; b) the long- and intermediate-range interactions generated by one-and two-pion exchange, derived from in-medium chiral perturbation theory, with explicit inclusion of $Δ(1232)$ excitations. Applications are presented for binding energies, radii of proton and neutron distributions and other observables over a wi…
[Background] While the tensor interaction has been shown to significantly affect the nuclear structure of exotic nuclei, its influence on nuclear reactions has only recently been investigated. The primary reason for this neglect is the fact that most studies of nuclear dynamics do not include the tensor force at all in their models. Indeed, only a few Skyrme parametrizations consider the tensor interaction in parameter determination. With modern research facilities extending our ability to probe exotic nuclei, a correct description of nuclear dynamics and heavy-ion fusion is vital to both supp…
Background: Average energies of nuclear collective modes may be efficiently and accurately computed using a non-relativistic constrained approach without reliance on a random phase approximation (RPA). Purpose: To extend the constrained approach to the relativistic domain and to establish its impact on the calibration of energy density functionals. Methods: Relativistic RPA calculations are compared against the predictions of the corresponding constrained approach using two accurately calibrated energy density functionals. Results: We find excellent agreement-at the 2% level or better-between …
We establish a correlation for the symmetry energy at saturation density $S_{0}$, slope parameter $L$ and curvature parameter $K_{\text{sym}}$ based on widely different mean field interactions. With the help of this correlation and available empirical and theoretical information, the density dependent behavior around the saturation density is determined. We compare the results obtained with the present approach with those by other analyses. With this obtained density dependent behavior of the symmetry energy, the neutron skin thickness of $^{208}$Pb and some properties of neutron stars are inv…
The non-axial reflection-asymmetric $β_{32}$ shape in some transfermium nuclei with N=150, namely $^{246}$Cm, $^{248}$Cf, $^{250}$Fm, and $^{252}$No are investigated with multidimensional constrained covariant density functional theories. By using the density-dependent point coupling covariant density functional theory with the parameter set DD-PC1 in the particle-hole channel, it is found that, for the ground states of $^{248}$Cf and $^{250}$Fm, the non-axial octupole deformation parameter $β_{32} > 0.03$ and the energy gain due to the $β_{32}$ distortion is larger than 300 keV. In $^{246}$Cm…
The intrinsic nuclear shapes deviating from a sphere not only manifest themselves in nuclear collective states but also play important roles in determining nuclear potential energy surfaces (PES's) and fission barriers. In order to describe microscopically and self-consistently nuclear shapes and PES's with as many shape degrees of freedom as possible included, we developed multidimensionally-constrained covariant density functional theories (MDC-CDFTs). In MDC-CDFTs, the axial symmetry and the reflection symmetry are both broken and all deformations characterized by $β_{λμ}$ with even $μ$ are…
