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Witold Nazarewicz

Publications and source records attributed to Witold Nazarewicz.

At least 55 records · Page 3Linked to original sources

Beyond the proton drip line: Bayesian analysis of proton-emitting nuclei

The limits of the nuclear landscape are determined by nuclear binding energies. Beyond the proton drip lines, where the separation energy becomes negative, there is not enough binding energy to prevent protons from escaping the nucleus. Predicting properties of unstable nuclear states in the vast territory of proton emitters poses an appreciable challenge for nuclear theory as it often involves far extrapolations. In addition, significant discrepancies between nuclear models in the proton-rich territory call for quantified predictions. With the help of Bayesian methodology, we mix a family of nuclear mass models corrected with statistical emulators trained on the experimental mass measurements, in the proton-rich region of the nuclear chart. Separation energies were computed within nuclear density functional theory using several Skyrme and Gogny energy density functionals. We also considered mass predictions based on two models used in astrophysical studies. Quantified predictions were obtained for each model using Bayesian Gaussian processes trained on separation-energy residuals and combined via Bayesian model averaging. We obtained a good agreement between averaged predictions of statistically corrected models and experiment. In particular, we quantified model results for one- and two-proton separation energies and derived probabilities of proton emission. This information enabled us to produce a quantified landscape of proton-rich nuclei. The most promising candidates for two-proton decay studies have been identified. The methodology used in this work has broad applications to model-based extrapolations of various nuclear observables. It also provides a reliable uncertainty quantification of theoretical predictions.

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Neutron drip line in the Ca region from Bayesian model averaging

The region of heavy calcium isotopes forms the frontier of experimental and theoretical nuclear structure research where the basic concepts of nuclear physics are put to stringent test. The recent discovery of the extremely neutron-rich nuclei around $^{60}$Ca [Tarasov, 2018] and the experimental determination of masses for $^{55-57}$Ca (Michimasa, 2018] provide unique information about the binding energy surface in this region. To assess the impact of these experimental discoveries on the nuclear landscape's extent, we use global mass models and statistical machine learning to make predictions, with quantified levels of certainty, for bound nuclides between Si and Ti. Using a Bayesian model averaging analysis based on Gaussian-process-based extrapolations we introduce the posterior probability $p_{ex}$ for each nucleus to be bound to neutron emission. We find that extrapolations for drip-line locations, at which the nuclear binding ends, are consistent across the global mass models used, in spite of significant variations between their raw predictions. In particular, considering the current experimental information and current global mass models, we predict that $^{68}$Ca has an average posterior probability ${p_{ex}\approx76}$% to be bound to two-neutron emission while the nucleus $^{61}$Ca is likely to decay by emitting a neutron (${p_{ex}\approx 46}$ %).

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Electron and Nucleon Localization Functions of Oganesson: Approaching the Thomas-Fermi Limit

Fermion localization functions are used to discuss electronic and nucleonic shell structure effects in the superheavy element oganesson, the heaviest element discovered to date. Spin-orbit splitting in the $7p$ electronic shell becomes so large ($\sim$ 10 eV) that Og is expected to show uniform-gas-like behavior in the valence region with a rather large dipole polarizability compared to the lighter rare gas elements. The nucleon localization in Og is also predicted to undergo a transition to the Thomas-Fermi gas behavior in the valence region. This effect, particularly strong for neutrons, is due to the high density of single-particle orbitals.

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Cluster radioactivity of $^{294}_{118}$Og$_{176}$

According to theory, cluster radioactivity becomes an important decay mode in superheavy nuclei. In this work, we predict that the strongly-asymmetric fission, or cluster emission, is in fact the dominant fission channel for $^{294}_{118}$Og$_{176}$, which is currently the heaviest synthetic isotope known. Our theoretical approach incorporates important features of fission dynamics, including quantum tunneling and stochastic dynamics up to scission. We show that, despite appreciable differences in static fission properties such as fission barriers and spontaneous fission lifetimes, the prediction of cluster radioactivity in $^{294}_{118}$Og$_{176}$ is robust with respect to the details of calculations, including the choice of energy density functional, collective inertia, and the strength of the dissipation term.

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Alpha Decay Energies of Superheavy Nuclei: Systematic Trends

New superheavy nuclei are often identified through their characteristic $α$-decay energies, which requires accurate calculations of $Q_α$ values. While many $Q_α$ predictions are available, little is known about their uncertainties, and this makes it difficult to carry out extrapolations to yet-unknown systems. This work aims to analyze several models, compare their predictions to available experimental data, and study their performance for the unobserved $α$-decay chains of $^{296}$120 and $^{298}$120, which are of current experimental interest. Our quantified results will also serve as a benchmark for future, more sophisticated statistical studies. We use nuclear superfluid Density Functional Theory (DFT) with several Skyrme energy density functionals (EDFs). To estimate systematic model uncertainties we employ uniform model averaging. We evaluated the $Q_α$ values for even-even nuclei from Fm to $Z=120$. For well deformed nuclei between Fm and Ds, we find excellent consistency between different model predictions, and a good agreement with experiment. For transitional nuclei beyond Ds, inter-model differences grow, resulting in an appreciable systematic error. In particular, our models underestimate $Q_α$ for the heaviest nucleus $^{294}$Og. The robustness of DFT predictions for well deformed superheavy nuclei supports the idea of using experimental $Q_α$ values, together with theoretical predictions, as reasonable $(Z,A)$ indicators. Unfortunately, this identification method is not expected to work well in the region of deformed-to-spherical shape transition as one approaches $N=184$. The use of $Q_α$ values in the identification of new superheavy nuclei will benefit greatly from both progress in developing new spectroscopic-quality EDFs and more sophisticated statistical techniques of uncertainty quantification.

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Bayesian approach to model-based extrapolation of nuclear observables

The mass, or binding energy, is the basis property of the atomic nucleus. It determines its stability, and reaction and decay rates. Quantifying the nuclear binding is important for understanding the origin of elements in the universe. The astrophysical processes responsible for the nucleosynthesis in stars often take place far from the valley of stability, where experimental masses are not known. In such cases, missing nuclear information must be provided by theoretical predictions using extreme extrapolations. Bayesian machine learning techniques can be applied to improve predictions by taking full advantage of the information contained in the deviations between experimental and calculated masses. We consider 10 global models based on nuclear Density Functional Theory as well as two more phenomenological mass models. The emulators of S2n residuals and credibility intervals defining theoretical error bars are constructed using Bayesian Gaussian processes and Bayesian neural networks. We consider a large training dataset pertaining to nuclei whose masses were measured before 2003. For the testing datasets, we considered those exotic nuclei whose masses have been determined after 2003. We then carried out extrapolations towards the 2n dripline. While both Gaussian processes and Bayesian neural networks reduce the rms deviation from experiment significantly, GP offers a better and much more stable performance. The increase in the predictive power is quite astonishing: the resulting rms deviations from experiment on the testing dataset are similar to those of more phenomenological models. The empirical coverage probability curves we obtain match very well the reference values which is highly desirable to ensure honesty of uncertainty quantification, and the estimated credibility intervals on predictions make it possible to evaluate predictive power of individual models.

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Formation and distribution of fragments in the spontaneous fission of 240Pu

The goal of this paper is to better understand the structure of fission fragment distributions by investigating the competition between the static structure of the collective manifold and stochastic dynamics. In particular, we study the characteristics of the tails of yield distributions, which correspond to very asymmetric fission. We use the stochastic Langevin framework to simulate the nuclear evolution after the system tunnels through the multi-dimensional potential barrier. For a representative sample of different initial configurations along the outer turning-point line, we define effective fission paths by computing a large number of Langevin trajectories. We extract the relative contribution of each such path to the fragment distribution. We then use nucleon localization functions along effective fission pathways to analyze the characteristics of prefragments at pre-scission configurations. We find that non-Newtonian Langevin trajectories, strongly impacted by the random force, produce the tails of the fission fragment distribution. The prefragments deduced from nucleon localizations are formed early and change little as the nucleus evolves towards scission. On the other hand, the system contains many nucleons that are not localized in the prefragments, even near the scission point. Such nucleons are rapidly distributed at scission to form the final fragments. Our study shows that only theoretical models of fission that account for some form of dissipative/stochastic dynamics can give an accurate description of the structure of fragment distributions. In particular, it should be nearly impossible to predict the tails of these distributions within the standard formulation of time-dependent density functional theory. At the same time, the large number of non-localized nucleons during fission suggests that adiabatic approaches are ill-suited to describe fission fragment properties.

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Cluster formation in pre-compound nuclei in the time-dependent framework

Background: Applications of nuclear time-dependent density functional theory (TDDFT) are often capable of providing quantitative description of heavy ion reactions. However, the structure of pre-compound states produced in heavy ion reactions are difficult to assess theoretically in TDDFT as the s.p. density alone is a weak indicator of shell structure and cluster states. Purpose: We employ the time-dependent nucleon localization function (NLF) to reveal structure of pre-compound states in nuclear reactions involving light and medium-mass ions. We primarily focus on spin saturated systems with N = Z. Furthermore, we study reactions with oxygen and carbon ions, for which experimental evidence for α clustering in pre-compound states exists. Method: We utilize the symmetry-free TDDFT approach and compute the NLFs to describe $^{16}$O + $^{16}$O, $^{40}$Ca + $^{16}$O, $^{40}$Ca + $^{40}$Ca, and $^{16,18}$O + $^{12}$C collisions at energies above the Coulomb barrier. Results: We show that NLFs reveal a variety of time-dependent modes involving cluster structures. For instance, the $^{16}$O + $^{16}$O collision results in a vibrational mode of a quasi-molecular α-$^{12}$C-$^{12}$C-α state. For heavier ions, a variety of cluster configurations are predicted. For the collision of $^{16,18}$O + $^{12}$C, we showed that the pre-compound system has a tendency to form α clusters. This result supports the experimental findings that the presence of cluster structures in the projectile and target nuclei gives rise to strong entrance channel effects and enhanced α emission. Conclusion: The time-dependent NLF is a good indicator of clusters structures in complex pre-compound states formed in heavy-ion fusion reactions. The localization reveals the presence of collective vibrations involving cluster structures, which dominate the initial dynamics of the fusing system.

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Central depression in nucleonic densities: Trend analysis in nuclear density-functional-theory approach

Central depression of nucleonic density, i.e., a reduction of density in the nuclear interior, has been attributed to many factors. E.g., bubble structures in superheavy (SH) nuclei are believed to be due to the electrostatic repulsion. In light nuclei, the mechanism has been discussed in terms of shell effects associated with occupations of s-orbits. The objective of this work is to reveal mechanisms behind the formation of central depression in nucleonic densities in light and heavy nuclei. We introduce several measures of the internal nucleonic density. Through the statistical analysis, we study the information content of these measures with respect to nuclear matter properties. We apply nuclear density functional theory with Skyrme functionals. Using the statistical tools of linear least square regression, we inspect correlations between various measures of central depression and model parameters, including nuclear matter properties. We study bivariate correlations with selected quantities as well as multiple correlations with groups of parameters. Detailed correlation analysis is carried out for $^{34}$Si for which a bubble structure has been reported recently, $^{48}$Ca, and N=82, 126, and 184 isotonic chains. We show that the central depression in medium-mass nuclei is very sensitive to shell effects, whereas for SH systems it is firmly driven by the electrostatic repulsion. An appreciable semi-bubble structure in proton density is predicted for $^{294}$Og, which is currently the heaviest nucleus known experimentally. Our correlation analysis reveals that the central density indicators in nuclei below $^{208}$Pb carry little information on parameters of nuclear matter; they are predominantly driven by shell structure. On the other hand, in the SH nuclei there exists a clear relationship between the central nucleonic density and symmetry energy.

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Clustering and pasta phases in nuclear density functional theory

Nuclear density functional theory (DFT) is the tool of choice in describing properties of complex nuclei and intricate phases of bulk nucleonic matter. It is a microscopic approach based on an energy density functional representing the nuclear interaction. An attractive feature of nuclear DFT is that it can be applied to both finite nuclei and pasta phases appearing in the inner crust of neutron stars. While nuclear pasta clusters in a neutron star can be easily characterized through their density distributions, the level of clustering of nucleons in a nucleus can often be difficult to assess. To this end, we use the concept of nucleonic localization. We demonstrate that the localization measure provides us with fingerprints of clusters in light and heavy nuclei, including fissioning systems. Furthermore we investigate the rod-like pasta phase using twist-averaged boundary conditions, which enable calculations in finite volumes accessible by state of the art DFT solvers.

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Pairing Nambu-Goldstone Modes within Nuclear Density Functional Theory

We show that the Nambu-Goldstone formalism of the broken gauge symmetry in the presence of the $T=1$ pairing condensate offers a quantitative description of the binding-energy differences of open-shell superfluid nuclei. We conclude that the pairing-rotational moments of inertia are excellent pairing indicators, which are free from ambiguities attributed to odd-mass systems. We offer a new, unified interpretation of the binding-energy differences traditionally viewed in the shell model picture as signatures of the valence nucleon properties. We present the first systematic analysis of the off-diagonal pairing-rotational moments of inertia and demonstrate the mixing of the neutron and proton pairing-rotational modes in the ground states of even-even nuclei. Finally, we discuss the importance of mass measurements of neutron-rich nuclei for constraining the pairing energy density functional.

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Impact of nuclear mass uncertainties on the $r$-process

Nuclear masses play a fundamental role in understanding how the heaviest elements in the Universe are created in the $r$-process. We predict $r$-process nucleosynthesis yields using neutron capture and photodissociation rates that are based on nuclear density functional theory. Using six Skyrme energy density functionals based on different optimization protocols, we determine for the first time systematic uncertainty bands -- related to mass modeling -- for $r$-process abundances in realistic astrophysical scenarios. We find that features of the underlying microphysics make an imprint on abundances especially in the vicinity of neutron shell closures: abundance peaks and troughs are reflected in trends of neutron separation energy. Further advances in nuclear theory and experiments, when linked to observations, will help in the understanding of astrophysical conditions in extreme $r$-process sites.

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Challenges in Nuclear Structure Theory

The goal of nuclear structure theory is to build a comprehensive microscopic framework in which properties of nuclei and extended nuclear matter, and nuclear reactions and decays can all be consistently described. Due to novel theoretical concepts, breakthroughs in the experimentation with rare isotopes, increased exchange of ideas across different research areas, and the progress in computer technologies and numerical algorithms, nuclear theorists have been quite successful in solving various bits and pieces of the nuclear many-body puzzle and the prospects are exciting. This article contains a brief, personal perspective on the status of the field.

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Microscopic modeling of mass and charge distributions in the spontaneous fission of 240Pu

In this letter, we outline a methodology to calculate microscopically mass and charge distributions of spontaneous fission yields. We combine the multi-dimensional minimization of collective action for fission with stochastic Langevin dynamics to track the relevant fission paths from the ground-state configuration up to scission. The nuclear potential energy and collective inertia governing the tunneling motion are obtained with nuclear density functional theory in the collective space of shape deformations and pairing. We obtain a quantitative agreement with experimental data and find that both the charge and mass distributions in the spontaneous fission of 240Pu are sensitive both to the dissipation in collective motion and to adiabatic characteristics.

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Isospin effects in N~Z nuclei in extended Density Functional Theory

This paper overviews various phenomena related to the concept of isospin symmetry. The focus is on N~Z nuclei, which are excellent laboratories of isospin physics. The theoretical framework applied is nuclear Density Functional Theory and its isospin- and angular-momentum projected extensions, as well as symmetry-projected multi-reference models. The topics covered include: isospin impurities, superallowed beta decays, beta-transitions in mirror nuclei, isospin breaking hadronic interactions, mirror and triplet binding energy differences, and isoscalar pairing.

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Complex-energy approach to sum rules within nuclear density functional theory

The linear response of the nucleus to an external field contains unique information about the effective interaction, correlations, and properties of its excited states. To characterize the response, it is useful to use its energy-weighted moments, or sum rules. By comparing computed sum rules with experimental values, the information content of the response can be utilized in the optimization process of the nuclear Hamiltonian or EDF. But the additional information comes at a price: compared to the ground state, computation of excited states is more demanding. To establish an efficient framework to compute sum rules of the response that is adaptable to the optimization of the nuclear EDF and large-scale surveys of collective strength, we have developed a new technique within the complex-energy FAM based on the QRPA. To compute sum rules, we carry out contour integration of the response function in the complex-energy plane. We benchmark our results against the conventional matrix formulation of the QRPA theory, the Thouless theorem for the energy-weighted sum rule, and the dielectric theorem for the inverse energy-weighted sum rule. We demonstrate that calculated sum-rule values agree with those obtained from the matrix formulation of the QRPA. We also discuss the applicability of both the Thouless theorem about the energy-weighted sum rule and the dielectric theorem for the inverse energy-weighted sum rule to nuclear density functional theory in cases when the EDF is not based on a Hamiltonian. The proposed sum-rule technique based on the complex-energy FAM is a tool of choice when optimizing effective interactions or energy functionals. The method is very efficient and well-adaptable to parallel computing. The FAM formulation is especially useful when standard theorems based on commutation relations involving the nuclear Hamiltonian and external field cannot be used.

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Adaptive Multi-resolution 3D Hartree-Fock-Bogoliubov Solver for Nuclear Structure

Complex many-body systems, such as triaxial and reflection-asymmetric nuclei, weakly-bound halo states, cluster configurations, nuclear fragments produced in heavy-ion fusion reactions, cold Fermi gases, and pasta phases in neutron star crust, they are all characterized by large sizes and complex topologies, in which many geometrical symmetries characteristic of ground-state configurations are broken. A tool of choice to study such complex forms of matter is an adaptive multi-resolution wavelet analysis. This method has generated much excitement since it provides a common framework linking many diversified methodologies across different fields, including signal processing, data compression, harmonic analysis and operator theory, fractals, and quantum field theory. To describe complex superfluid many-fermion systems, we introduce an adaptive pseudo-spectral method for solving self-consistent equations of nuclear density functional theory in three dimensions, without symmetry restrictions. The new adaptive multi-resolution Hartree-Fock-Bogoliubov (HFB) solver {\madnesshfb} is benchmarked against a two-dimensional coordinate-space solver {\hfbax} based on B-spline technique and three-dimensional solver {\hfodd} based on the harmonic oscillator basis expansion. Several examples are considered, including self-consistent HFB problem for spin-polarized trapped cold fermions and Skyrme-Hartree-Fock (+BCS) problem for triaxial deformed nuclei. The new {\madnesshfb} framework has many attractive features when applied to nuclear and atomic problems involving many-particle superfluid systems. Of particular interest are weakly-bound nuclear configurations close to particle drip lines, strongly elongated and dinuclear configurations such as those present in fission and heavy ion fusion, and exotic pasta phases that appear in the neutron star crust.

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Low energy collective modes of deformed superfluid nuclei within the finite amplitude method

Background: The major challenge for nuclear theory is to describe and predict global properties and collective modes of atomic nuclei. Of particular interest is the response of the nucleus to a time-dependent external field that impacts the low-energy multipole and beta-decay strength. Purpose: We propose a method to compute low-lying collective modes in deformed nuclei within the finite amplitude method (FAM) based on the quasiparticle random-phase approximation (QRPA). By using the analytic property of the response function, we find the QRPA amplitudes by computing the residua of the FAM amplitudes by means of a contour integration around the QRPA poles in a complex frequency plane. Methods: We use the superfluid nuclear density functional theory with Skyrme energy density functionals, FAM-QRPA approach, and the conventional matrix formulation of the QRPA (MQRPA). Results: We demonstrate that the complex-energy FAM-QRPA method reproduces low-lying collective states obtained within the conventional matrix formulation of the QRPA theory. Illustrative calculations are performed for the isoscalar monopole strength in deformed 24Mg and for low-lying K = 0 quadrupole vibrational modes of deformed Yb and Er isotopes. Conclusions: The proposed FAM-QRPA approach allows one to efficiently calculate low-lying collective modes in spherical and deformed nuclei throughout the entire nuclear landscape, including shape-vibrational excitations, pairing vibrational modes, and beta-decay rates.

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