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A. Bulgac

Publications and source records attributed to A. Bulgac.

At least 19 recordsLinked to original sources

White Paper on Software Infrastructure for Advanced Nuclear Physics Computing

This White Paper documents the discussion and consensus conclusions of the workshop "Software Infrastructure for Advanced Nuclear Physics Computing" (SANPC 24), which was held at Jefferson Lab on June 20-22, 2024. The workshop brought together members of the US Nuclear Physics community with data scientists and funding agency representatives, to discuss the challenges and opportunities in advanced computing for Nuclear Physics in the coming decade. Opportunities for sustainable support and growth are identified, within the context of existing and currently planned DOE and NSF programs.

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Quantum turbulence, superfluidity, non-Markovian dynamics, and wave function thermalization

While quantum turbulence has been addressed both experimentally (predominantly for superfluid $^4$He and $^3$He) and theoretically, the dynamics of various ensembles of quantized vortices was followed in time only until the vortices decay into phonons. How this ``thermalization'' is achieved is still an unaddressed and thus an unelucidated question. The Unitary Fermi Gas (UFG) is a unique quantum system, which has no classical counterpart and of relevance to neutron stars, cold atoms, condensed matter and nuclear many-body systems. The non-Markovian evolution of an isolated UFG is put in evidence and its entire non-equilibrium evolution can be studied theoretically within a unified theoretical framework. The initial lattice of quantum vortices and anti-vortices evolves through a couple of vortex tangles and excitation of Kelvin waves, where vortices cross and reconnect, until very slowly thermalization sets in.

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Pure quantum extension of the semiclassical Boltzmann-Uehling-Uhlenbeck equation

The Boltzmann equation is the traditional framework in which one extends the time-dependent mean field classical description of a many-body system to include the effect of particle-particle collisions in an approximate manner. A semiclassical extension of this approach to quantum many body systems was suggested by Uehling and Uhlenbeck in 1933 for both Fermi and Bose statistics, and many further developments of this approach are known as the BoltzmannUehling-Uhlenbeck (BUU) equations. Here I introduce a pure quantum version of the BUU type of equations, which is mathematically equivalent to a generalized Time-Dependent Density Functional Theory extended to superfluid systems. As expected, during non-equilibrium processes the quantum Boltzmann one body entropy increases during evolution.

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Angular momentum removal by neutron and $γ$-ray emissions during fission fragment decays

We investigate the angular momentum removal from fission fragments (FFs) through neutron and $γ$-ray emission, where we find that about half the neutrons are emitted with angular momenta $\ge 1.5\hbar$ and that the change in angular momentum after the emission of neutrons and statistical $γ$ rays is significant, contradicting usual assumptions. Per fission event, in our simulations, the neutron and statistical $γ$-ray emissions change the spin of the fragment by 3.5 -- 5~$\hbar$, with a large standard deviation comparable to the average value. Such wide angular momentum removal distributions can hide any underlying correlations in the fission fragment initial spin values. Within our model, we reproduce data on spin measurements from discrete transitions after neutron emissions, especially in the case of light FFs. The agreement further improves for the heavy fragments if one removes from the analysis the events that would produce isomeric states. Finally, we show that while in our model the initial FF spins do not follow a saw-tooth like behavior observed in recent measurements, the average FF spin computed after neutron and statistical $γ$ emissions exhibits a shape that resembles a saw tooth. This suggests that the average FF spin measured after statistical emissions is not necessarily connected with the scission mechanism as previously implied.

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Fission fragments intrinsic spins and their correlations

The intrinsic spins and their correlations are the least understood characteristics of fission fragments from both theoretical and experimental points of view. In many nuclear reactions the emerging fragments are typically excited and acquire an intrinsic excitation energy and an intrinsic spin depending on the type of the reactions and interaction mechanism. Both the intrinsic excitation energies and the fragments intrinsic spins and parities are controlled by the interaction mechanism and conservations laws, which lead to their correlations and determines the character of their de-excitation mechanism. We outline here a framework for the theoretical extraction of the intrinsic spin distributions of the fragments and their correlations within the fully microscopic real-time density functional theory formalism and illustrate it on the example of induced fission of $^{236}$U and $^{240}$Pu, using two nuclear energy density functionals. These fission fragment intrinsic spin distributions display new qualitative features previously not discussed in literature. Within this fully microscopic framework we extract for the first time the intrinsic spin distributions of fission fragments of $^{236}$U and $^{240}$Pu as well as the correlations of their intrinsic spins, which have been debated in literature for more than six decades with no definite conclusions so far.

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Pre-equilibrium Neutron Emission in Fission or Fragmentation

Fissioning nuclei and fission fragments, nuclear fragments emerging from energetic collisions, or nuclei probed with various external fields can emit one or more pre-equilibrium neutrons, protons, and potentially other heavier nuclear fragments. I describe a formalism which can be used to evaluate the pre-equilibrium neutron emission probabilities and the excitation energies of the remnant fragments.

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Fission Fragment Excitation Energy Sharing Beyond Scission

A simplified, though realistic, model describing two receding and accelerating fission fragments, due to their mutual Coulomb repulsion, shows that fission fragments share excitation energy well after they ceased to exchange nucleons. This mechanism leads to a lower total kinetic energy of the fission fragments, particularly if the pygmy resonances in the fission fragments are excited. Even though the emphasis here is on fission, similar arguments apply to fragments in heavy-ion reactions.

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Pairing dynamics in low energy nuclear collisions

Superfluidity is a generic feature of various quantum systems at low temperatures and it is in particular important for the description of dynamics of low energy nuclear reactions. The time-dependent density functional theory (TDDFT) is, to date, the only microscopic method which takes into account in a consistent way far from equilibrium dynamics of pairing field and single-particle degrees of freedom. The local version of TDDFT, so called TDSLDA, is particularly useful for the description of nuclear reactions and is well suited for leadership class computers of hybrid (CPU+GPU) architecture. The preliminary results obtained for collisions involving both medium-mass and heavy nuclei at the energies around the Coulomb barrier are presented.

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Fission in a microscopic framework: from basic science to support for applications

Recent developments, both in theoretical modeling and computational power, have allowed us to make progress on a goal not fully achieved yet in nuclear theory: a microscopic theory of nuclear fission. Even if the complete microscopic description remains a computationally demanding task, the information that can be provided by current calculations can be extremely useful to guide and constrain more phenomenological approaches, which are simpler to implement. First, a microscopic model that describes the real-time dynamics of the fissioning system can justify or rule out some of the approximations. Second, the microscopic approach can be used to obtain trends, e.g., with increasing excitation energy of the fissioning system, or even to compute observables that cannot be otherwise calculated in phenomenological approaches or that can be hindered by the limitations of the method. We briefly present in this contribution the time-dependent superfluid local density approximation (TDSLDA) approach to nuclear fission, approach that has become a very successful theoretical model in many areas of many-body research. The TDSLDA incorporates the effects of the continuum, the dynamics of the pairing field, and the numerical solution is implemented with controlled approximations and negligible numerical corrections. The main part of the current contribution will be dedicated to discussing the method, and recent results concerning the fission dynamics. In addition, we present results on the excitation energy sharing between the fragments, which are in agreement with a qualitative conclusions extracted from a limited number of experimental measurements of properties of prompt neutrons.

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Real time description of fission

Using the time-dependent superfluid local density approximation, the dynamics of fission is investigated in real time from just beyond the saddle to fully separated fragments. Simulations produced in this fully microscopic framework can help to assess the validity of the current approaches to fission, and to obtain estimate of fission observables. In this contribution, we concentrate on general aspects of fission dynamics.

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Nuclear Fission: from more phenomenology and adjusted parameters to more fundamental theory and increased predictive power

Two major recent developments in theory and computational resources created the favorable conditions for achieving a microscopic description of nuclear fission almost eighty years after its discovery in 1939 by Hahn and Strassmann (1930). The first major development was in theory, the extension of the Time-Dependent Density Functional Theory (TDDFT) to superfluid fermion systems. The second development was in computing, the emergence of powerful enough supercomputers capable of solving the complex systems of equations describing the time evolution in three dimensions without any restrictions of hundreds of strongly interacting nucleons. Even though the available nuclear energy density functionals (NEDFs) are phenomenological still, their accuracy is improving steadily and the prospects of being able to perform calculations of the nuclear fission dynamics and to predict many properties of the fission fragments, otherwise not possible to extract from experiments, are within reach, all without making recourse anymore to uncontrollable assumptions and simplified phenomenological models.

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Induced fission of 240Pu

We study the fission dynamics of 240Pu within an implementation of the Density Functional Theory (DFT) extended to superfluid systems and real-time dynamics. We demonstrate the critical role played by the pairing correlations. The evolution is found to be much slower than previously expected in this fully non-adiabatic treatment of nuclear dynamics, where there are no symmetry restrictions and all collective degrees of freedom (CDOF) are allowed to participate in the dynamics.

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Relativistic Coulomb excitation within Time Dependent Superfluid Local Density Approximation

Within the framework of the unrestricted time-dependent density functional theory, we present for the first time an analysis of the relativistic Coulomb excitation of the heavy deformed open shell nucleus $^{238}$U. The approach is based on Superfluid Local Density Approximation (SLDA) formulated on a spatial lattice that can take into account coupling to the continuum, enabling self-consistent studies of superfluid dynamics of any nuclear shape. We have computed the energy deposited in the target nucleus as a function of the impact parameter, finding it to be significantly larger than the estimate using the Goldhaber-Teller model. The isovector giant dipole resonance, the dipole pygmy resonance and giant quadrupole modes were excited during the process. The one body dissipation of collective dipole modes is shown to lead a damping width $Γ_\downarrow \approx 0.4$ MeV and the number of pre-equilibrium neutrons emitted has been quantified.

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Auxiliary-Field Quantum Monte Carlo Simulations of Neutron Matter in Chiral Effective Field Theory

We present variational Monte Carlo calculations of the neutron matter equation of state using chiral nuclear forces. The ground-state wavefunction of neutron matter, containing non-perturbative many-body correlations, is obtained from auxiliary-field quantum Monte Carlo simulations of up to about 340 neutrons interacting on a 10^3 discretized lattice. The evolution Hamiltonian is chosen to be attractive and spin-independent in order to avoid the fermion sign problem and is constructed to best reproduce broad features of the chiral nuclear force. This is facilitated by choosing a lattice spacing of 1.5 fm, corresponding to a momentum-space cutoff of Lambda = 414 MeV/c, a resolution scale at which strongly repulsive features of nuclear two-body forces are suppressed. Differences between the evolution potential and the full chiral nuclear interaction (Entem and Machleidt Lambda = 414 MeV) are then treated perturbatively. Our results for the equation of state are compared to previous quantum Monte Carlo simulations which employed chiral two-body forces at next-to-next-to-leading order (N2LO). In addition we include the effects of three-body forces at N2LO, which provide important repulsion at densities higher than 0.02 fm^-3, as well as two-body forces at N3LO.

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UNEDF: Advanced Scientific Computing Collaboration Transforms the Low-Energy Nuclear Many-Body Problem

The demands of cutting-edge science are driving the need for larger and faster computing resources. With the rapidly growing scale of computing systems and the prospect of technologically disruptive architectures to meet these needs, scientists face the challenge of effectively using complex computational resources to advance scientific discovery. Multidisciplinary collaborating networks of researchers with diverse scientific backgrounds are needed to address these complex challenges. The UNEDF SciDAC collaboration of nuclear theorists, applied mathematicians, and computer scientists is developing a comprehensive description of nuclei and their reactions that delivers maximum predictive power with quantified uncertainties. This paper describes UNEDF and identifies attributes that classify it as a successful computational collaboration. We illustrate significant milestones accomplished by UNEDF through integrative solutions using the most reliable theoretical approaches, most advanced algorithms, and leadership-class computational resources.

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Isovector Giant Dipole Resonance from the 3D Time-Dependent Density Functional Theory for Superfluid Nuclei

A fully symmetry unrestricted Time-Dependent Density Functional Theory extended to include pairing correlations is used to calculate properties of the isovector giant dipole resonances of the deformed open-shell nuclei 172Yb (axially deformed), 188Os (triaxially deformed), and 238U (axially deformed), and to demonstrate good agreement with experimental data on nuclear photo-absorption cross-sections for two different Skyrme force parametrizations of the energy density functional: SkP and SLy4.

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