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Quaglioni, Sofia

Publications and source records attributed to Quaglioni, Sofia.

At least 19 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Evaluation of phase shifts for nonrelativistic elastic scattering using quantum computers

Simulations of scattering processes are essential in understanding the physics of our universe. Computing relevant scattering quantities from ab initio methods is extremely difficult on classical devices because of the substantial computational resources needed. Here, this work reports the development of an algorithm that makes it possible to obtain phase shifts for generic nonrelativistic elastic scattering processes on a quantum computer. This algorithm is based on extracting phase shifts from the direct implementation of the real-time evolution. The algorithm is improved by a variational procedure making it more accurate and resistant to the quantum noise. The reliability of the algorithm is first demonstrated by means of classical numerical simulations for different potentials and later tested on existing quantum hardware, specifically on IBM quantum processors.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2024

Proceedings for the Workshop on Applied Nuclear Data Activities 2024

The Workshop for Applied Nuclear Data Activities (WANDA) is designed to increase communication among nuclear data (ND) users in multidisciplinary federal programs, ND producers, ND funders, and other ND experts. It also presents an opportunity to cross-pollinate ideas as well as introduce ND gaps identified by federal programs to ND experts and ND capabilities to the various federal ND users. WANDA 2024 included five technical sessions, three of which focused on Fusion Energy Sciences (FES)—FES Fusion Neutronics, FES Tritium Production, and FES Material Damage—and two stand-alone sessions—Isotopes and Targetry for Nuclear Data and Uncertainty Quantification. The FES sessions successfully brought new voices to the WANDA discussions, expanding the application space in which nuclear data are critical. FES programs need accurate nuclear data with realistic uncertainty quantification to properly estimate, for example, shielding, activation, tritium production, helium production, structural material integrity, and superconducting magnet operation. This includes a variety of projectile (neutrons, photons, charged particles) and target atoms. One of the action items common to all the FES sessions was a need to perform sensitivity studies to identify the prioritization of nuclear data needs. The Isotopes and Targetry session highlighted the many capabilities available to produce high-quality targets for nuclear data measurements, including 3D printing with spherical powders, combustion synthesis coupled with spin coating & electrospraying, inkjet printing, and isotopic doping. These new methods open doors for more accurate measurement, but it was also stressed that sample characterization following any method of fabrication is of the highest importance to accurately interpret nuclear data measurement results that used that sample. The Uncertainty Quantification (UQ) session was broken into two categories: nuclear data uncertainty quantification and the use of that uncertainty quantification. Thematic to the UQ session was the loss of information when going from nuclear data measurement, to evaluation, to evaluated file, and finally to neutron transport calculations. Current evaluated ND libraries typically only contain covariances, which assume that the probability distributions are Gaussian. Beyond being a simplified assumption for many evaluations, this can lead to negative values on many observables when attempting to sample the covariance. The covariance format, however, is very efficient in that a simple set of linear equations can transform uncertainty from parameters or cross sections to the application of interest. Focused collaboration is needed between nuclear data evaluators and nuclear data users to ensure that needs are being met.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2024

Tunable-fidelity wave functions for the ab initio description of scattering and reactions

Here, the no-core shell model (NCSM) is an ab initio method that solves the nuclear many-body problem by expanding the many-particle wave function into a (typically) harmonic oscillator basis and minimizing the energy to obtain the expansion coefficients. Extensions of the NCSM, such as its coupling with microscopic-cluster basis states, further allow for an ab initio treatment of light-ion nuclear reactions of interest for both astrophysics and nuclear technology applications. A downside of the method is the exponential scaling of the basis size with increasing number of nucleons and excitation quanta, which limits its applicability to mass A ≲ 16 nuclei, except for variants where the basis is further down-selected via some truncation scheme. We consider a basis selection method for the NCSM that was first introduced in the context of the large-scale shell model and captures the essential degrees of freedom of the nuclear wave function leading to a favorable complexity scaling for calculations and enabling ab initio reaction calculations in sd-shell nuclei. The particle configurations within the NCSM basis are ordered based on their contribution to the first moment of the Hamiltonian matrix that results from the projection onto the many-body basis. The truncation scheme then consists in retaining only the lowest-first-moment configurations, which typically contain only few many-body basis states (Slater determinants). As the energy threshold above which configurations are disregarded is increased, the size of the basis becomes an almost-continuous variable, allowing for tunable fidelity in the obtained wave functions. The resulting wave functions can then be used directly in ab initio reaction calculations. We present calculations for 7 Li and n + 12 C scattering using nucleon-nucleon interactions derived from chiral effective field theory and softened using the similarity renormalization group method. The obtained energy levels invariably demonstrate exponential convergence with the size of the basis, and we find improved convergence in scattering calculations. To demonstrate the possibilities enabled by the approach, we also present a first calculation for the scattering of neutrons from 24 Mg. The method presented in this work appears promising for future studies of nuclei with mass A > 16, opening multiple future research directions impacting both nuclear astrophysics and nuclear technology applications.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2023

A New Era of Discovery: The 2023 Long-Range Plan for Nuclear Science (V.1.2)

Nuclear science is the investigation of how protons and neutrons are formed from elementary particles and how the forces between those particles produce both nuclei and the vast variety of nuclear phenomena that occur in the universe. It has evolved into a broad field that addresses profound scientific questions: Where does the mass of visible matter come from? How do stars ignite, live, and die? How do nuclei illuminate the search for new laws of nature? This science points the way to using nuclei to build new technologies that benefit society. The 2015 Nobel Prize in physics was shared by nuclear physicists Art McDonald and Takaaki Kajita for the discovery of neutrino oscillations, which confirmed that neutrinos have mass. Our progress on big questions like this one since 2015 has been remarkable owing to new experimental tools, theoretical breakthroughs, powerful computational techniques, and the talented people who make these innovations possible. Focusing on these new tools, the Facility for Rare Isotope Beams (FRIB) at Michigan State University is already producing exciting results on decays of never-before-produced isotopes a year after it was completed on time and on budget. The energy upgrade of the Continuous Electron Beam Accelerator Facility (CEBAF) at the Thomas Jefferson National Accelerator Facility (Jefferson Lab) was also completed on schedule and on budget—new data from this facility are revealing the spectrum, structure, and dynamics of protons, neutrons, nuclei, and mesons. On the theory front, we can now calculate the distribution of quarks inside the proton from first principles. The implementation of artificial intelligence (AI) and machine learning (ML) techniques has led to improved data analysis and increased efficiency in running experiments and theoretical calculations. The impact of nuclear science goes beyond expanding the frontiers of knowledge about matter in the universe. We simultaneously develop a STEM work force that advances the security, technology, health, and wealth of our nation. Some connections are obvious. Expert scientists trained to work with radioactive nuclei are in demand in nuclear security arenas and are highly sought after by various government agencies and private industries. Graduate students and postdoctoral fellows (postdocs) obtain extensive computational, modeling, and data science skills that are similarly in high demand. Less obvious but equally important is the connection between these trained scientists and success in other professions, including medicine, energy, and entrepreneurial pursuits. The workforce that enables discovery in nuclear science also makes breakthroughs in technologies with tremendous impact on the nation’s economic advancement.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2023

Control optimization for parametric Hamiltonians by pulse reconstruction

Optimal control techniques provide a means to tailor the control pulses required to generate customized quantum gates, which helps to improve the resilience of quantum simulations to gate errors and device noise. However, the significant amount of (classical) computation required to generate customized gates can quickly undermine the effectiveness of this approach, especially when pulse optimization needs to be iterated. We propose a method to reduce the computational time required to generate the control pulse for a Hamiltonian that is parametrically dependent on a time-varying quantity. We use simple interpolation schemes to accurately reconstruct the control pulses from a set of pulses obtained in advance for a discrete set of predetermined parameter values. We obtain a reconstruction with very high fidelity and a significant reduction in computational effort. We report the results of the application of the proposed method to device-level quantum simulations of the unitary (real) time evolution of two interacting neutrons based on superconducting qubits.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2023

White Paper On Nuclear Structure Reactions and Astrophysics

In preparation for the 2023 NSAC Long Range Plan (LRP), the DNP Town Meeting on Nuclear Structure, Reactions, and Astrophysics was held at Argonne National Laboratory (ANL) on Nov 14-16, 2022. The town meeting brought together 578 members of the low-energy nuclear science community, including 216 in-person attendees and 362 remote participants coming from US national laboratories, a wide range of US universities and other research institutions and universities abroad. Participants met in five topic-oriented and seven cross-cutting and intersecting working groups to discuss progress since the 2015 LRP and identify compelling science opportunities and the resources needed to realize them. These considerations were used during the Town Meeting to determine a set of resolutions outlining the highest priorities for our subfield. The full text of the resolutions endorsed by unanimous consent by the low-energy nuclear science community at the Town Meeting is presented at the end of this executive summary. The reports from all working groups that met during the Town Meeting are included as Secs. 1 to 11 of this Whitepaper. The intellectual challenges for nuclear structure, reactions and astrophysics can be captured in the following questions: What is the nature of the nuclear force that binds protons and neutrons into stable nuclei and rare isotopes, and how do the rich phenomena of nuclear structure and reactions emerge? How do single-nucleon, cluster, and collective degrees of freedom coexist and evolve with increasing proton-neutron imbalance and excitation energies? What are the limits of nuclear existence, and what features arise near and beyond these limits? What are the astrophysical origins of the elements and how did the associated chemical evolution proceed? How do stars evolve, and what nuclear signatures do they leave behind? What is the nature of neutron stars and dense matter? How can the knowledge and technological progress provided by nuclear science best be used to benefit society?

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2022

Nuclear Physics Exascale Requirements Review: An Office of Science Review sponsored jointly by Advanced Scientific Computing Research and Nuclear Physics, June 15 - 17, 2016, Gaithersburg, Maryland

Imagine being able to predict — with unprecedented accuracy and precision — the structure of the proton and neutron, and the forces between them, directly from the dynamics of quarks and gluons, and then using this information in calculations of the structure and reactions of atomic nuclei and of the properties of dense neutron stars (NSs). Also imagine discovering new and exotic states of matter, and new laws of nature, by being able to collect more experimental data than we dream possible today, analyzing it in real time to feed back into an experiment, and curating the data with full tracking capabilities and with fully distributed data mining capabilities. Making this vision a reality would improve basic scientific understanding, enabling us to precisely calculate, for example, the spectrum of gravity waves emitted during NS coalescence, and would have important societal applications in nuclear energy research, stockpile stewardship, and other areas. This review presents the components and characteristics of the exascale computing ecosystems necessary to realize this vision.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2022

Quantum state preparation by adiabatic evolution with custom gates

Quantum state preparation by adiabatic evolution is currently rendered ineffective by the long implementation times of the underlying quantum circuits, comparable to the decoherence time of present and near-term quantum devices. These implementation times can be significantly reduced by realizing these circuits with custom gates. Using classical computing, we model the output of a realistic two-qubit processor implementing the adiabatic evolution of a two-spin system by means of custom gates. This modeled output is then compared with the results of quantum simulations solving the same problem on IBM Quantum (IBMQ) systems. Additionally, when used to emulate the behavior of the IBMQ quantum circuit, our realistic model yields state fidelities ranging from 65% to 85%, similar to the actual performance of a diverse set of IBMQ devices. When we reduced the implementation time by using custom gates, however, the loss of fidelity was reduced by at least a factor of 4, allowing us to accurately extract the energy of the target state. This improvement is enough to render adiabatic evolution useful for quantum state preparation for small systems or as a preconditioner for other state preparation methods.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2021

Microscopic investigation of the 8 Li(n,γ)Li 9 reaction

Background: The 8 Li (n, γ) 9 Li reaction plays an important role in several astrophysics scenarios. It cannot be measured directly and indirect experiments have so far provided only cross section limits. Theoretical predictions differ by an order of magnitude. Purpose: In this work we study the properties of 9 Li bound states and low-lying resonances and calculate the 8 Li(n, γ) 9 Li cross section within the no-core shell model with continuum (NCSMC) with chiral nucleon-nucleon and three-nucleon interactions as input. Methods: Here, the NCSMC is an ab initio method applicable to light nuclei that provides a unified description of bound and scattering states well suited to calculate low-energy nuclear scattering and reactions. For the capture cross section calculation, we adjust calculated thresholds to experimental values. Results: Our calculations reproduce the experimentally known bound states as well as the lowest 5/2 – resonance of 9 Li. We predict a 3/2 – spin-parity assignment for the resonance observed at 5.38 MeV. In addition to the very narrow 7/2 – resonance corresponding presumably to the experimental 6.43 MeV state, we find several other broad low-lying resonances. Conclusions: Our calculated 8 Li(n, γ) 9 Li cross section is within the limits derived from the 1998 National Superconducting Cyclotron Laboratory Coulomb-dissociation experiment. However, it is higher than cross sections obtained in recent phenomenological studies. It is dominated by a direct E1 capture to the ground state with a resonant contribution at ≈ 0.2 MeV due to E2/M1 radiation enhanced by the 5/2 – resonance.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2020

Quantifying Uncertainties In Neutron-Alpha Scattering With Chiral Nucleon-Nucleon And Three-Nucleon Forces

We report that modern ab initio theory combined with high-quality nucleon-nucleon (NN) and three-nucleon (3N) interactions from chiral effective field theory (EFT) can provide a predictive description of low-energy light-nuclei reactions relevant for astrophysics and fusion-energy applications. However, the high cost of computations has so far impeded a complete analysis of the uncertainty budget of such calculations. Starting from NN potentials up to fifth order (N 4 LO) combined with leading-order 3N forces, we study how the order-by-order convergence of the chiral expansion and confidence intervals for the 3N contact and contact-plus-one-pion-exchange low-energy constants (c E and c D ) contribute to the overall uncertainty budget of many-body calculations of neutron- 4 He (n-α) elastic scattering. We compute structure and reaction observables for three-, four-, and five-nucleon systems within the ab initio frameworks of the no-core shell model and no-core shell model with continuum. Using a small set of design runs, we construct a Gaussian process model (GPM) that acts as a statistical emulator for the theory. With this, we gain insight into how uncertainties in the 3N low-energy constants propagate throughout the calculation and determine the Bayesian posterior distribution of these parameters with Markov-Chain Monte Carlo. We find rapidly converging n-α phase shifts with respect to the chiral order. With the adopted leading-order 3N force, calculations based on the NN interaction at N 4 LO of Entem, Machleidt, and Nosyk are unable to reproduce the experimental phase shifts in the 3/2 - channel within the estimated chiral truncation errors. Closer agreement with empirical data is found when using an older parametrization of the NN interaction at order N 3 LO, and the position and width of the P-wave resonances can be used to reduce the uncertainty of the 3N low-energy constants. The present results point to a lack of spin-orbit strength when the newer parametrization of the chiral NN force up to fifth order is combined with the leading-order 3N force. The inclusion of higher-order 3N-force terms may be required to recover the missing strength. GPMs can act as fast and accurate emulators of ab initio many-body calculations of low-energy scattering and reactions of light nuclei, opening the way to a robust quantification of theoretical uncertainties grounded in the description of the underlying chiral Hamiltonian.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2020

Optimal Control for the Quantum Simulation of Nuclear Dynamics

We propose a method for enacting the unitary time propagation of two interacting neutrons at leading order of chiral effective-field theory by efficiently encoding the nuclear dynamics into a single multilevel quantum device. The emulated output of the quantum simulation shows that, by applying a single gate that draws on the underlying characteristics of the device, it is possible to observe multiple cycles of the nuclear dynamics before the onset of decoherence. Owing to the signal's longevity, we can then extract spectroscopic properties of the simulated nuclear system. This allows us to validate the encoding of the nuclear Hamiltonian and the robustness of the simulation in the presence of quantum-hardware noise by comparing the extracted spectroscopic information to exact calculations. This work paves the way for transformative calculations of the dynamical properties of nuclei on near-term quantum devices.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2019

Nucleosynthesis for Science and Security: Preparing for a Nuclear and Chemical Sciences Program at FRIB

Nuclear reactions are vital to nuclear science and its many applications: they are the mechanism for forging elements in the cosmos, the source of energy for both stars and nuclear weapons, the principal probes used to study nuclear properties, and the primary diagnostic signatures for stockpile stewardship and nuclear forensics. Yet, most reaction experiments have been confined to the small fraction of all nuclei that are stable, and a theoretical foundation for reactions with a true predictive capability is lacking. The Facility for Rare Isotope Beams (FRIB), the flagship U.S. facility in low-energy nuclear science, will offer the opportunity to rectify the long-standing gap in understanding reactions on radioactive nuclei. The work performed in this LDRD project brought together the experimental nuclear physics, radiochemistry, nuclear theory, and high-performance computing expertise of the Nuclear and Chemical Sciences Division to develop new techniques that will be needed to exploit FRIB beams to better understand nuclear reactions. Novel isotope-harvesting techniques were developed to demonstrate that samples could be collected at the National Superconducting Cyclotron Laboratory (NSCL) at Michigan State University (the facility which FRIB builds upon) for direct measurements of long-lived radioisotopes. For isotopes too short lived for direct measurements, indirect approaches were developed that would ultimately be used with high-intensity FRIB radioactive beams. Finally, to better interpret experimental results and reliably extend predictions beyond the available data, a foundation was established for a fully microscopic and unified description of the structure, interactions, and dynamics of two reacting nuclei that moves beyond empirical models. This work has positioned the team for a leadership role at FRIB, enabling LLNL to maintain a world-class nuclear science program and to compete for future talent and funding, both of which are vital for continuing support of the laboratory’s stockpile stewardship mission.

42 ENGINEERING↗
DOE OSTI2019

Be 7 and Li 7 nuclei within the no-core shell model with continuum

The production of $^7Be$ and $^7Li$ nuclei plays an important role in primordial nucleosynthesis, nuclear astrophysics, and fusion energy generation. The $^3He(α,γ) ^7Be$ and $^3H(α,γ) 7Li$ radiative-capture processes are important to determine the $^7Li$ abundance in the early universe and to predict the correct fraction of $pp$ -chain branches resulting in $^7Be$ versus $^8B$ neutrinos. The $^6Li(p,γ) ^7Be$ has been investigated recently hinting at a possible cross section enhancement near the threshold. The $^6Li (n,^3H) ^4He$ process can be utilized for tritium breeding in machines dedicated to fusion energy generation through the deuteron-tritium reaction, and is a neutron cross section standard used in the measurement and evaluation of fission cross sections. In this work we study the properties of $^7Be$ and $^7Li$ within the no-core shell model with continuum (NCSMC) method, using chiral nucleon-nucleon interactions as the only input, and analyze all the binary mass partitions involved in the formation of these systems. The NCSMC is an ab initio method applicable to light nuclei that provides a unified description of bound and scattering states and thus is well suited to investigate systems with many resonances and pronounced clustering like $^7Be$ and $^7Li$. Our calculations reproduce all the experimentally known states of the two systems and provide predictions for several new resonances of both parities. Some of these new possible resonances are built on the ground states of $^6Li$ and $^6He$, and thus represent a robust prediction. We do not find any resonance in the $p + ^6Li$ mass partition near the threshold. On the other hand, in the $p + ^6He$ mass partition of $^7Li$ we observe an $S$ -wave resonance near the threshold producing a very pronounced peak in the calculated $S$ factor of the $^6He (p,γ)$ $^7Li$ radiative-capture reaction. While we do not find a resonance near the threshold in the $p + ^6Li$ channel, in the case of $^6He + p$ reaction a resonant S -wave state is predicted at a very low energy above the reaction threshold, which could be relevant for astrophysics and its implications should be investigated. We note though that this state lies above the three-body breakup threshold not included in our method and may be influenced by three-body continuum correlations.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2019

Ab initio predictions for polarized deuterium-tritium thermonuclear fusion

The fusion of deuterium (D) with tritium (T) is the most promising of the reactions that could power thermonuclear reactors of the future. It may lead to even more efficient energy generation if obtained in a polarized state, that is with the spin of the reactants aligned. Here in this paper, we report first-principles predictions of the polarized DT fusion using nuclear forces from effective field theory. By employing the ab initio no-core shell model with continuum reaction method to solve the quantum mechanical five-nucleon problem, we accurately determine the enhanced fusion rate and angular distribution of the emitted neutron and 4 He. Our calculations demonstrate in detail the small contribution of anisotropies, placing on a firmer footing the understanding of the rate of DT fusion in a polarized plasma. In the future, analogous calculations could be used to obtain accurate values for other, more uncertain thermonuclear reaction data critical to nuclear science applications.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2018

Light and unbound nuclei: An introduction to ab initio methods in nuclear structure and reaction theory

Light nuclei display a wide variety of phenomena: from stable bound states, to rare unstable isotopes and transient resonances, to mutual dynamical interactions during a reaction. Here, after an overview of these phenomena, basic formalism and concepts in ab initio nuclear structure and reaction theory are introduced, followed by selected examples of how powerful techniques for the description of the nuclear force and the solution of the nuclear quantum many-body problem combined with cutting-edge high-performance computing are enabling a comprehensive understanding of light exotic nuclei and thermonuclear reactions that play an important role in the Cosmos and on Earth.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗