arXiv subjects

Nicolas Schunck

Publications and source records attributed to Nicolas Schunck.

36 records · Page 2Linked to original sources

arXiv2021

Angular Momentum of Fission Fragments from Microscopic Theory

During nuclear fission, a heavy nucleus splits into two rotating fragments. The associated angular momentum is large, yet the mechanism of its generation and its dependence on the mass of fragments remain poorly understood. In this Letter, we provide the first microscopic calculations of angular momentum distributions in fission fragments for a wide range of fragment masses. For the benchmark case of $^{239}$Pu($n_{\text{th}}$,f), we find that the angular momentum of the fragments is largely determined by the nuclear shell structure and deformation, and that the heavy fragments therefore typically carry less angular momentum than their light partners. We use the fission model $\tt{FREYA}$ to simulate the emission of neutrons and photons from the fragments. The dependence of the angular momenta on fragment mass after the emission of neutrons and statistical photons is linear for the heavy fragments and either constant or weakly linear for the light fragments, consistent with the universal sawtooth pattern suggested by recent experimental data. Finally, we observe that using microscopic angular momentum distributions modifies the number of emitted photons significantly.

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arXiv2021

Microscopic Calculation of Fission Product Yields with Particle Number Projection

Fission fragments' charge and mass distribution is an important input to applications ranging from basic science to energy production or nuclear non-proliferation. In simulations of nucleosynthesis or calculations of superheavy elements, these quantities must be computed from models, as they are needed in nuclei where no experimental information is available. Until now, standard techniques to estimate these distributions were not capable of accounting for fine-structure effects, such as the odd-even staggering of the charge distributions. In this work, we combine a fully-microscopic collective model of fission dynamics with a recent extension of the particle number projection formalism to provide the highest-fidelity prediction of the primary fission fragment distributions for the neutron-induced fission of $^{235}$U and $^{239}$Pu. We show that particle number projection is an essential ingredient to reproduce odd-even staggering in the charge yields and benchmark the performance of various empirical probability laws that could simulate its effect. This new approach also enables for the first time the realistic determination of two-dimensional isotopic yields within nuclear density functional theory.

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arXiv2020

Future of Nuclear Fission Theory

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.

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arXiv2020

Number of Particles in Fission Fragments

In current simulations of fission, the number of protons and neutrons in a given fission fragment is almost always obtained by integrating the total density of particles in the sector of space that contains the fragment. Because of the antisymmetry of the many-body wave function of the whole nucleus, this procedure systematically gives noninteger numbers of particles in the fragments. We introduce a novel sampling method to estimate rigorously the probability of finding $Z$ protons and $N$ neutrons in a fission fragment without resorting to projectors, which can sometimes give unwieldy results. When applied on standard Hartree-Fock-Bogoliubov many-body states, we show that our approach reproduces indeed the results of full particle-number projection. We then estimate the charge and mass number dispersion of several scission configurations in $^{240}$Pu with and without pairing correlations included. We show that odd-even effects in the charge probability naturally occur within our approach, which could explain the well-known odd-even staggering of charge distributions. Our method is applicable either in static calculations of scission configurations such as, e.g., in the macroscopic-microscopic approach or energy density functional theory, but also in explicitly time-dependent density functional theory simulations of fission.

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arXiv2020

Fission of $^{240}$Pu with symmetry-restored density functional theory

Nuclear fission plays an important role in fundamental and applied science, from astrophysics to nuclear engineering, yet it remains a major challenge to nuclear theory. Theoretical methods used so far to compute fission observables rely on symmetry-breaking schemes where basic information on the number of particles, angular momentum, and parity of the fissioning nucleus is lost. In this work, we analyze the impact of restoring broken symmetries in the benchmark case of $^{240}$Pu.

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arXiv2019

Fission Dynamics of 240Pu from Saddle-to-Scission and Beyond

Calculations are presented for the time evolution of $^{240}$Pu from the proximity of the outer saddle point until the fission fragments are well separated, using the time-dependent density functional theory extended to superfluid systems. We have tested three families of nuclear energy density functionals and found that all functionals exhibit a similar dynamics: the collective motion is highly dissipative and with little trace of inertial dynamics, due to the one-body dissipation mechanism alone. This finding justifies the validity of using the overdamped collective motion approach and to some extent the main assumptions in statistical models of fission. This conclusion is robust with respect to the nuclear energy density functional used. The configurations and interactions left out of the present theory framework only increase the role of the dissipative couplings. An unexpected finding is varying the pairing strength within a quite large range has only minor effects on the dynamics. We find notable differences in the excitation energy sharing between the fission fragments in the cases of spontaneous and induced fission. With increasing initial excitation energy of the fissioning nucleus more excitation energy is deposited in the heavy fragment, in agreement with experimental data on average neutron multiplicities.

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arXiv2019

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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arXiv2018

FRIB and the GW170817 Kilonova

In July 2018 an FRIB Theory Alliance program was held on the implications of GW170817 and its associated kilonova for r-process nucleosynthesis. Topics of discussion included the astrophysical and nuclear physics uncertainties in the interpretation of the GW170817 kilonova, what we can learn about the astrophysical site or sites of the r process from this event, and the advances in nuclear experiment and theory most crucial to pursue in light of the new data. Here we compile a selection of scientific contributions to the workshop, broadly representative of progress in r-process studies since the GW170817 event.

astro-ph.HE↗

arXiv2018

A Minimal Nuclear Energy Density Functional

We present a minimal nuclear energy density functional (NEDF) called "SeaLL1" that has the smallest number of possible phenomenological parameters to date. SeaLL1 is defined by 7 significant phenomenological parameters, each related to a specific nuclear property. It describes the nuclear masses of even-even nuclei with a mean energy error of 0.97 MeV and a standard deviation 1.46 MeV, two-neutron and two-proton separation energies with r.m.s. errors of 0.69 MeV and 0.59 MeV respectively, and the charge radii of 345 even-even nuclei with a mean error $ε_r=$0.022 fm and a standard deviation $σ_r=$0.025 fm. SeaLL1 incorporates constraints on the EoS of pure neutron matter from quantum Monte Carlo calculations with chiral effective field theory two-body (NN) interactions at N3LO level and three-body (NNN) interactions at the N2LO level. Two of the seven parameters are related to the saturation density and the energy per particle of the homogeneous symmetric nuclear matter, one is related to the nuclear surface tension, two are related to the symmetry energy and its density dependence, one is related to the strength of the spin-orbit interaction, and one is the coupling constant of the pairing interaction. We identify additional phenomenological parameters that have little effect on ground-state properties, but can be used to fine-tune features such as the Thomas-Reiche-Kuhn sum rule, the excitation energy of the giant dipole and Gamow-Teller resonances, the static dipole electric polarizability, and the neutron skin thickness.

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arXiv2017

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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arXiv2015

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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arXiv2014

A Bayesian Approach for Parameter Estimation and Prediction using a Computationally Intensive Model

Bayesian methods have been very successful in quantifying uncertainty in physics-based problems in parameter estimation and prediction. In these cases, physical measurements y are modeled as the best fit of a physics-based model $η(θ)$ where $θ$ denotes the uncertain, best input setting. Hence the statistical model is of the form $y = η(θ) + ε$, where $ε$ accounts for measurement, and possibly other error sources. When non-linearity is present in $η(\cdot)$, the resulting posterior distribution for the unknown parameters in the Bayesian formulation is typically complex and non-standard, requiring computationally demanding computational approaches such as Markov chain Monte Carlo (MCMC) to produce multivariate draws from the posterior. While quite generally applicable, MCMC requires thousands, or even millions of evaluations of the physics model $η(\cdot)$. This is problematic if the model takes hours or days to evaluate. To overcome this computational bottleneck, we present an approach adapted from Bayesian model calibration. This approach combines output from an ensemble of computational model runs with physical measurements, within a statistical formulation, to carry out inference. A key component of this approach is a statistical response surface, or emulator, estimated from the ensemble of model runs. We demonstrate this approach with a case study in estimating parameters for a density functional theory (DFT) model, using experimental mass/binding energy measurements from a collection of atomic nuclei. We also demonstrate how this approach produces uncertainties in predictions for recent mass measurements obtained at Argonne National Laboratory (ANL).

physics.data-an↗

arXiv2014

Derivative-free optimization for parameter estimation in computational nuclear physics

We consider optimization problems that arise when estimating a set of unknown parameters from experimental data, particularly in the context of nuclear density functional theory. We examine the cost of not having derivatives of these functionals with respect to the parameters. We show that the POUNDERS code for local derivative-free optimization obtains consistent solutions on a variety of computationally expensive energy density functional calibration problems. We also provide a primer on the operation of the POUNDERS software in the Toolkit for Advanced Optimization.

physics.comp-ph↗

arXiv2014

Error Analysis in Nuclear Density Functional Theory

Nuclear density functional theory (DFT) is the only microscopic, global approach to the structure of atomic nuclei. It is used in numerous applications, from determining the limits of stability to gaining a deep understanding of the formation of elements in the universe or the mechanisms that power stars and reactors. The predictive power of the theory depends on the amount of physics embedded in the energy density functional as well as on efficient ways to determine a small number of free parameters and solve the DFT equations. In this article, we discuss the various sources of uncertainties and errors encountered in DFT and possible methods to quantify these uncertainties in a rigorous manner.

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arXiv2013

Computational Nuclear Quantum Many-Body Problem: The UNEDF Project

The UNEDF project was a large-scale collaborative effort that applied high-performance computing to the nuclear quantum many-body problem. UNEDF demonstrated that close associations among nuclear physicists, mathematicians, and computer scientists can lead to novel physics outcomes built on algorithmic innovations and computational developments. This review showcases a wide range of UNEDF science results to illustrate this interplay.

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arXiv2012

Neutrino-nucleus coherent scattering as a probe of neutron density distributions

Neutrino-nucleus coherent elastic scattering provides a theoretically appealing way to measure the neutron part of nuclear form factors. Using an expansion of form factors into moments, we show that neutrinos from stopped pions can probe not only the second moment of the form factor (the neutron radius) but also the fourth moment. Using simple Monte Carlo techniques for argon, germanium, and xenon detectors of 3.5 tonnes, 1.5 tonnes, and 300 kg, respectively, we show that the neutron radii can be found with an uncertainty of a few percent when near a neutrino flux of $3\times10^{7}$ neutrinos/cm$^{2}$/s. If the normalization of the neutrino flux is known independently, one can determine the moments accurately enough to discriminate among the predictions of various nuclear energy functionals.

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arXiv2008

Broyden's Method in Nuclear Structure Calculations

Broyden's method, widely used in quantum chemistry electronic-structure calculations for the numerical solution of nonlinear equations in many variables, is applied in the context of the nuclear many-body problem. Examples include the unitary gas problem, the nuclear density functional theory with Skyrme functionals, and the nuclear coupled-cluster theory. The stability of the method, its ease of use, and its rapid convergence rates make Broyden's method a tool of choice for large-scale nuclear structure calculations.

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arXiv2001

Towards explanation of the "inertia anomalies" in realistic mean field calculations

Careful theoretical studies of the nuclear collective inertia based on the non-relativistic mean-field theory and the cranking model indicate that the moments of inertia of the super-deformed nuclei calculated using various standard methods and parameterizations exceed systematically the experimental values. Similarly, but for other reasons the relativistic cranking calculations based on the relativistic mean field method present, in our opinion, a different class of systematic deviations from experiment. The origin and possible explanations of these deviations are discussed briefly.

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