arXiv subjects
Publications and source records attributed to Witold Nazarewicz.
Advances in machine learning methods provide tools that have broad applicability in scientific research. These techniques are being applied across the diversity of nuclear physics research topics, leading to advances that will facilitate scientific discoveries and societal applications. This Review gives a snapshot of nuclear physics research which has been transformed by machine learning techniques.
The coordinate-space representation of the Hartree-Fock-Bogoliubov theory is the method of choice to study weakly bound nuclei whose properties are affected by the quasiparticle continuum space. To describe such systems, we developed a three-dimensional Skyrme-Hartree-Fock-Bogoliubov solver HFBFFT based on the existing, highly optimized and parallelized Skyrme-Hartree-Fock code Sky3D. The code does not impose any self-consistent spatial symmetries such as mirror inversions or parity. The underlying equations are solved in HFBFFT directly in the canonical basis using the fast Fourier transform. To remedy the problems with pairing collapse, we implemented the soft energy cutoff and pairing annealing. The convergence of HFB solutions was improved by a sub-iteration method. The Hermiticity violation of differential operators brought by Fourier-transform-based differentiation has also been solved. The accuracy and performance of HFBFFT were tested by benchmarking it against other HFB codes, both spherical and deformed, for a set of nuclei, both well-bound and weakly-bound.
The nuclear fission process is a dramatic example of the large-amplitude collective motion in which the nucleus undergoes a series of shape changes before splitting into distinct fragments. This motion can be represented by a pathway in the many-dimensional space of collective coordinates. The collective action along the fission pathway determines the spontaneous fission half-lives as well as mass and charge distributions of fission fragments. We study the performance and precision of various methods to determine the minimum action and minimum-energy fission trajectories in the collective space. We apply the nudged elastic band method (NEB), grid-based methods, and Euler Lagrange approach to the collective action minimization in two and three dimensional collective spaces. The performance of various approaches to the fission pathway problem is assessed by studying the collective motion along both analytic energy surfaces and realistic potential energy surfaces obtained with the Hartree-Fock-Bogoliubov theory. The uniqueness and stability of the solutions is studied. The NEB method is capable of efficient determination of the exit points on the outer turning surface that characterize the most probable fission pathway and constitute the key input for fission studies. This method can also be used to accurately compute the critical points (i.e., local minima and saddle points) on the potential energy surface of the fissioning nucleus that determine the static fission path. The NEB method is the tool of choice for finding the least-action and minimum energy fission trajectories. It will be particularly useful in large-scale fission calculation of superheavy nuclei and neutron-rich fissioning nuclei contributing to the astrophysical r-process recycling.
Optical precision spectroscopy of isotope shifts can be used to test for new forces beyond the Standard Model, and to determine basic properties of atomic nuclei. We measure isotope shifts on the highly forbidden ${}^2S_{1/2} \rightarrow {}^2F_{7/2}$ octupole transition of trapped $^{168,170,172,174,176}$Yb ions. When combined with previous measurements in Yb$^+$ and very recent measurements in Yb, the data reveal a King plot nonlinearity of up to 240$σ$. The trends exhibited by experimental data are explained by nuclear density functional theory calculations with the Fayans functional. We also find, with 4.3$σ$ confidence, that there is a second distinct source of nonlinearity, and discuss its possible origin.
Background: A quantitative microscopic understanding of the fission-fragment yield distributions represents a major challenge for nuclear theory as it involves the intricate competition between large-amplitude nuclear collective motion and single-particle nucleonic motion. Purpose: A recently proposed approach to global modeling of fission fragment distributions is extended to account for odd-even staggering in charge yields and for neutron evaporation. Method: Fission trajectories are obtained within the density functional theory framework, allowing for a microscopic determination of the most probable fission prefragment configurations. Mass and charge yields distributions are constructed by means of a statistical approach rooted in a microcanonical ensemble. Result: We show that the proposed hybrid model can reproduce experimental mass and charge fragment yields, including the odd-even staggering, for a wide range of fissioning nuclei. Experimental isotopic yields can be described within a simple neutron evaporation scheme. We also explore fission fragment distributions of exotic neutron-rich and superheavy systems, and compare our predictions with other state-of-the art global calculations. Conclusion: Our study suggests that the microscopic rearrangement of nucleons into fission fragments occurs well before the scission, and that the subsequent dynamics is mainly driven by the thermal excitations and bulk features of the nuclear binding. The proposed simple hybrid approach is well suited for large-scale calculations involving hundreds of fissioning nuclei.
Differences in the charge radii of mirror nuclei have been recently suggested to contain information on the slope of the symmetry energy L. To test this hypothesis, we perform statistical correlation analysis using quantified energy density functionals that are consistent with our previous knowledge on global nuclear observables such as binding energies and charge radii. We conclude that the difference in charge radii between a mirror pair, R_mir, is an inferior isovector indicator compared to other observables, such at the neutron skin or electric dipole polarizability. In particular, this quantity correlates poorly with both the neutron skin and L. We demonstrate that R_mir is influenced by pairing correlations in the presence of low-lying proton continuum in the proton-rich mirror-partner nucleus. Considering the large theoretical uncertainties on R_mir, we conclude that the precise data on mirror charge radii cannot provide a stringent constraint on L.
Radii of nuclear charge distributions carry information about the strong and electromagnetic forces acting inside the atomic nucleus. While the global behavior of nuclear charge radii is governed by the bulk properties of nuclear matter, their local trends are affected by quantum motion of proton and neutron nuclear constituents. The measured differential charge radii $δ\langle r^2_c\rangle$ between neutron numbers $N=28$ and $N=40$ exhibit a universal pattern as a function of $n=N-28$ that is independent of the atomic number. Here we analyze this remarkable behavior in even-even nuclei from calcium to zinc using two state-of-the-art theories based on quantified nuclear interactions: the ab-initio coupled cluster theory and nuclear density functional theory. Both theories reproduce the smooth rise of differential charge radii and their weak dependence on the atomic number. By considering a large set of isotopic chains, we show that this trend can be captured by just two parameters: the slope and curvature of ${δ\langle r^2_c\rangle(n)}$. We demonstrate that these parameters show appreciable model dependence, and the statistical analysis indicates that they are not correlated with any single model property, i.e., they are impacted by both bulk nuclear properties as well as shell structure.
The parity violating asymmetry $A_{PV}$ in $^{208}$Pb, recently measured by the PREX-2 collaboration, is studied using modern relativistic (covariant) and non-relativistic energy density functionals. We first assess the theoretical uncertainty on $A_{PV}$ which is intrinsic to the adopted approach. To this end, we use quantified functionals that are able to accommodate our previous knowledge on nuclear observables such as binding energies, charge radii, and the dipole polarizability $α_D$ of $^{208}$Pb. We then add the quantified value of $A_{PV}$ together with $α_D$ to our calibration dataset to optimize new functionals. Based on these results, we predict a neutron skin thickness in $^{208}$Pb $r_\mathrm{skin} =0.19\pm 0.02$\,fm and the symmetry-energy slope $L=54\pm 8$\,MeV. These values are consistent with other estimates based on astrophysical data and are significantly lower than those recently reported using a particular set of relativistic energy density functionals. We also make a prediction for the $A_{PV}$ value in $^{48}$Ca that will be soon available from the CREX measurement.
Background: The presence of nuclear ground states with stable reflection-asymmetric shapes is supported by rich experimental evidence. Theoretical surveys of odd-multipolarity deformations predict the existence of pear-shaped isotopes in several fairly localized regions of the nuclear landscape in the vicinity of near-lying single-particle shells with $Δ\ell=Δj=3$. Purpose: We analyze the role of isoscalar, isovector, neutron-proton, neutron-neutron, and proton-proton multipole interaction energies in inducing the onset of reflection-asymmetric ground-state deformations. Methods: The calculations are performed in the framework of axial reflection-asymmetric Hartree-Fock-Bogoliubov theory using two Skyrme energy density functionals and density-dependent pairing force. Results: We show that reflection-asymmetric ground-state shapes of atomic nuclei are driven by the odd-multipolarity neutron-proton (or isoscalar) part of the nuclear interaction energy. This result is consistent with the particle-vibration picture, in which the main driver of octupole instability is the isoscalar octupole-octupole interaction giving rise to large $E3$ polarizability.
We address the calibration of a computationally expensive nuclear physics model for which derivative information with respect to the fit parameters is not readily available. Of particular interest is the performance of optimization-based training algorithms when dozens, rather than millions or more, of training data are available and when the expense of the model places limitations on the number of concurrent model evaluations that can be performed. As a case study, we consider the Fayans energy density functional model, which has characteristics similar to many model fitting and calibration problems in nuclear physics. We analyze hyperparameter tuning considerations and variability associated with stochastic optimization algorithms and illustrate considerations for tuning in different computational settings.
This white paper reports on the discussions of the 2018 Facility for Rare Isotope Beams Theory Alliance (FRIB-TA) topical program "From bound states to the continuum: Connecting bound state calculations with scattering and reaction theory". One of the biggest and most important frontiers in nuclear theory today is to construct better and stronger bridges between bound state calculations and calculations in the continuum, especially scattering and reaction theory, as well as teasing out the influence of the continuum on states near threshold. This is particularly challenging as many-body structure calculations typically use a bound state basis, while reaction calculations more commonly utilize few-body continuum approaches. The many-body bound state and few-body continuum methods use different language and emphasize different properties. To build better foundations for these bridges, we present an overview of several bound state and continuum methods and, where possible, point to current and possible future connections.
There has been much recent interest in nuclear fission, due in part to a new appreciation of its relevance to astrophysics, stability of superheavy elements, and fundamental theory of neutrino interactions. At the same time, there have been important developments on a conceptual and computational level for the theory. The promising new theoretical avenues were the subject of a workshop held at the University of York in October 2019; this report summarises its findings and recommendations.
Background: An electron localization function was originally introduced to visualize bond structures in molecules. It became a useful tool to describe electron configurations in atoms, molecules and solids. In nuclear physics, a nucleon localization function (NLF) has been used to characterize clusters in light nuclei, fragment formation in fission and pasta phases in the inner crust of neutron stars. Purpose: We use the NLF to study the nuclear response to fast rotation. Methods: We generalize the NLF to the case of nuclear rotation. The extended expressions involve both time-even and time-odd local densities. Since current density and density gradient contribute to the NLF primarily at the surface, we propose a simpler spatial measure given by the kinetic-energy density. Illustrative calculations for the superdeformed yrast band of $^{152}$Dy were carried out by using the cranked Skyrme-Hartree-Fock method. We also employed the cranked harmonic-oscillator model to gain insights into patterns revealed by the NLF at high angular momentum. Results: In a deformed rotating nucleus, several NLFs can be introduced, depending on the definition of the spin-quantization axis and self-consistent symmetries of the system. The oscillating pattern of the NLF can be explained by a constructive interference between the kinetic-energy and particle densities. The nodal pattern seen in the NLF along the major axis of a rotating nucleus comes from single-particle orbits with large aligned angular momentum. The variation of the NLF along the minor axis is traced back to deformation-aligned orbits. Conclusions: The NLF allows a simple interpretation of the shell structure evolution in the rotating nucleus in terms of the angular-momentum alignment of individual nucleons. We expect that the NLF will be useful for the characterization of other collective modes and time-dependent processes.
The phenomenon of reflection-asymmetric nuclear shapes is relevant to nuclear stability, nuclear spectroscopy, nuclear decays and fission, and the search for new physics beyond the standard model. Global surveys of ground-state octupole deformation, performed with a limited number of models, suggest that the number of pear-shaped isotopes is fairly limited across the nuclear landscape. We carry out global analysis of ground-state octupole deformations for particle-bound even-even nuclei with $Z \leq 110$ and $N \leq 210$ using nuclear density functional theory (DFT) with several non-relativistic and covariant energy density functionals. In this way, we can identify the best candidates for reflection-asymmetric shapes. The calculations are performed in the frameworks of axial reflection-asymmetric Hartree-Fock-Bogoliubov theory and relativistic Hartree-Bogoliubov theory using DFT solvers employing harmonic oscillator basis expansion. We consider five Skyrme and four covariant energy density functionals. We predict several regions of ground-state octupole deformation. In addition to the "traditional" regions of neutron-deficient actinide nuclei around $^{224}$Ra and neutron-rich lanthanides around $^{146}$Ba, we identified vast regions of reflecion-asymmetric shapes in very neutron-rich nuclei around $^{200}$Gd and $^{288}$Pu, as well as in several nuclei around $^{112}$Ba. Our analysis suggests several promising candidates with stable ground-state octupole deformation, primarily in the neutron-deficient actinide region, that can be reached experimentally. Detailed comparison between Skyrme and covariant models is performed.
This report is an outcome of the workshop "AI for Nuclear Physics" held at Thomas Jefferson National Accelerator Facility on March 4-6, 2020. The workshop brought together 184 scientists to explore opportunities for Nuclear Physics in the area of Artificial Intelligence. The workshop consisted of plenary talks, as well as six working groups. The report includes the workshop deliberations and additional contributions to describe prospects for using AI across Nuclear Physics research.
$\textbf{Background}$ More than half of all the elements heavier than iron are made by the rapid neutron capture process (or r process). For very neutron-rich astrophysical conditions, such at those found in the tidal ejecta of neutron stars, nuclear fission determines the r-process endpoint, and the fission fragment yields shape the final abundances of $110\le A \le 170$ nuclei. The knowledge of fission fragment yields of hundreds of nuclei inhabiting very neutron-rich regions of the nuclear landscape is thus crucial for the modeling of heavy-element nucleosynthesis. $\textbf{Purpose}$ In this study, we propose a model for the fast calculation of fission fragment yields based on the concept of shell-stabilized prefragments defined with help of the nucleonic localization functions. $\textbf{Methods}$ To generate realistic potential energy surfaces and nucleonic localizations, we apply Skyrme Density Functional Theory. The distribution of the neck nucleons among the two prefragments is obtained by means of a statistical model. $\textbf{Results}$ We benchmark the method by studying the fission yields of $^{178}$Pt, $^{240}$Pu, $^{254}$Cf, and $^{254,256,258}$Fm and show that it satisfactorily explains the experimental data. We then make predictions for $^{254}$Pu and $^{290}$Fm as two representative cases of fissioning nuclei that are expected to significantly contribute during the r-process nucleosynthesis occurring in neutron star mergers. $\textbf{Conclusions}$ The proposed framework provides an efficient alternative to microscopic approaches based on the evolution of the system in a space of collective coordinates all the way to scission. It can be used to carry out global calculations of fission fragment distributions across the r-process region.
We study the information content of nuclear masses from the perspective of global models of nuclear binding energies. To this end, we employ a number of statistical methods and diagnostic tools, including Bayesian calibration, Bayesian model averaging, chi-square correlation analysis, principal component analysis, and empirical coverage probability. Using a Bayesian framework, we investigate the structure of the 4-parameter Liquid Drop Model by considering discrepant mass domains for calibration. We then use the chi-square correlation framework to analyze the 14-parameter Skyrme energy density functional calibrated using homogeneous and heterogeneous datasets. We show that a quite dramatic parameter reduction can be achieved in both cases. The advantage of Bayesian model averaging for improving uncertainty quantification is demonstrated. The statistical approaches used are pedagogically described; in this context this work can serve as a guide for future applications.
The chart of the nuclides is limited by particle drip lines beyond which nuclear stability to proton or neutron emission is lost. Predicting the range of particle-bound isotopes poses an appreciable challenge for nuclear theory as it involves extreme extrapolations of nuclear masses beyond the regions where experimental information is available. Still, quantified extrapolations are crucial for a variety of applications, including the modeling of stellar nucleosynthesis. We use microscopic nuclear mass models and Bayesian methodology to provide quantified predictions of proton and neutron separation energies as well as Bayesian probabilities of existence throughout the nuclear landscape all the way to the particle drip lines. We apply nuclear density functional theory with several energy density functionals. To account for uncertainties, Bayesian Gaussian processes are trained on the separation-energy residuals for each individual model, and the resulting predictions are combined via Bayesian model averaging. This framework allows to account for systematic and statistical uncertainties and propagate them to extrapolative predictions. We characterize the drip-line regions where the probability that the nucleus is particle-bound decreases from $1$ to $0$. In these regions, we provide quantified predictions for one- and two-nucleon separation energies. According to our Bayesian model averaging analysis, 7759 nuclei with $Z\leq 119$ have a probability of existence $\geq 0.5$. The extrapolations obtained in this study will be put through stringent tests when new experimental information on exotic nuclei becomes available. In this respect, the quantified landscape of nuclear existence obtained in this study should be viewed as a dynamical prediction that will be fine-tuned when new experimental information and improved global mass models become available.