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At least 73 records · Page 4
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Effective theory tower for μ → e conversion

We present theoretical predictions for μ → e conversion rates using a tower of effective field theories connecting the UV to nuclear physics scales. The interactions in nuclei are described using a recently developed nonrelativistic effective theory (NRET) that organizes contributions according to bound nucleon and muon velocities, ${\overrightarrow{v}}_N$ and ${\overrightarrow{v}}_μ$, with |${\overrightarrow{v}}_N$| > |${\overrightarrow{v}}_μ$|. To facilitate the top-down matching, we enlarge the set of Lorentz covariant nucleon-level interactions mapped onto the NRET operators to include those mediated by tensor interactions, in addition to the scalar and vector interactions already considered previously, and then match NRET nonperturbatively onto the Weak Effective Theory (WET). At the scale μ ≈ 2 GeV WET is formulated in terms of u, d, s quarks, gluons and photons as the light degrees of freedom, along with the flavor-violating leptonic current. We retain contributions from WET operators up to dimension 7, which requires the full set of 26 NRET operators. The results are encoded in the open-source Python- and Mathematica-based software suite MuonBridge, which we make available to the theoretical and experimental communities interested in μ → e conversion.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2020

Quantifying uncertainties and correlations in the nuclear-matter equation of state

We perform statistically rigorous uncertainty quantification (UQ) for chiral effective field theory (χ EFT) applied to infinite nuclear matter up to twice nuclear saturation density. The equation of state (EOS) is based on high-order many-body perturbation theory calculations with nucleon-nucleon and three-nucleon interactions up to fourth order in the χ EFT expansion. From these calculations our newly developed Bayesian machine-learning approach extracts the size and smoothness properties of the correlated EFT truncation error. Furthermore, we then propose a novel extension that uses multitask machine learning to reveal correlations between the EOS at different proton fractions. The inferred in-medium χ EFT breakdown scale in pure neutron matter and symmetric nuclear matter is consistent with that from free-space nucleon-nucleon scattering. These significant advances allow us to provide posterior distributions for the nuclear saturation point and propagate theoretical uncertainties to derived quantities: the pressure and incompressibility of symmetric nuclear matter, the nuclear symmetry energy, and its derivative. Our results, which are validated by statistical diagnostics, demonstrate that an understanding of truncation-error correlations between different densities and different observables is crucial for reliable UQ. The methods developed here are publicly available as annotated Jupyter notebooks.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2025

Effective field theories for collective excitations of atomic nuclei

Collective modes emerge as the relevant degrees of freedom that govern low-energy excitations of atomic nuclei. These modes—rotations, pairing rotations, and vibrations—are separated in energy from non-collective excitations, making it possible to describe them in the framework of effective field theory. Rotations and pairing rotations are the remnants of Nambu–Goldstone modes from the emergent breaking of rotational symmetry and phase symmetries in finite deformed and finite superfluid nuclei, respectively. The symmetry breaking severely constrains the structure of low-energy Lagrangians and thereby clarifies what is essential and simplifies the description. The approach via effective field theories exposes the essence of nuclear collective excitations and is defined with a breakdown scale in mind. This permits one to make systematic improvements and to estimate and quantify uncertainties. Effective field theories of collective excitations have been used to compute spectra, transition rates, and other matrix elements of interest. In particular, predictions of the nuclear matrix element for neutrinoless double beta decay then come with quantified uncertainties. This review summarizes these results and also compares the approach via effective field theories to well-known models and ab initio computations.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2026

Quantum Monte Carlo calculation of 𝛿 NS in 10 C using an effective field theory approach

Here, we compute radiative corrections to the superallowed 𝛽 decay of 10 C in an effective field theory approach using nuclear matrix elements obtained from quantum Monte Carlo calculations. These corrections are an important ingredient in the extraction of the Cabibbo-Kobayashi-Masakawa quark mixing matrix element 𝑉 𝑢⁢𝑑 , and the role of this work is to illuminate the uncertainties arising from nuclear structure. Our results provide good agreement with both the traditional extraction of 𝑉 𝑢⁢𝑑 , as well as with a more recent evaluation performed using the no-core shell model and a dispersion formalism. The dominant uncertainty in this approach is the presence of two unknown low-energy constants that enter into the relevant nuclear matrix elements. Future determinations of these low-energy constants—either from QCD or modeling them with two nucleon amplitudes—would improve the precision of the extraction in this formalism.

beta decay↗
DOE OSTI2025

Connecting relativistic density functional theory to microscopic calculations

The development of systematic effective field theories (EFTs) for nuclear forces and advances in solving the nuclear many-body problem have greatly improved our understanding of dense nuclear matter and the structure of finite nuclei. For global nuclear calculations, density functional theories (DFTs) have been developed to reduce the complexity and computational cost required in describing nuclear systems. However, DFT often makes approximations and assumptions about terms included in the functional, which may introduce systematic uncertainties compared to microscopic calculations using EFTs. In this work, we investigate possible avenues of improving nuclear DFT using nonlinear relativistic mean-field (RMF) theory. We explore the impact of RMF model extensions by fitting the nonlinear RMF model to predictions of nuclear matter and selected closed-shell nuclei using four successful chiral EFT Hamiltonians. We find that these model extensions are impactful and important in capturing the physics present within chiral Hamiltonians, particularly for charge radii and neutron skins of closed-shell nuclei. However, there are additional effects that are not captured within the RMF model, particularly within the isoscalar sector of RMF theory. Additional model extensions and the reliability of the nonlinear RMF model are discussed.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2024

Roadmap on methods and software for electronic structure based simulations in chemistry and materials

This Roadmap article provides a succinct, comprehensive overview of the state of electronic structure methods and software for molecular and materials simulations. Seventeen distinct sections collect insights by 51 leading scientists in the field. Each contribution addresses the status of a particular area, as well as current challenges and anticipated future advances, with a particular eye towards software related aspects and providing key references for further reading. Foundational sections cover density functional theory and its implementation in real-world simulation frameworks, Green's function based many-body perturbation theory, wave-function based and stochastic electronic structure approaches, relativistic effects and semiempirical electronic structure theory approaches. Subsequent sections cover nuclear quantum effects, real-time propagation of the electronic structure, challenges for computational spectroscopy simulations, and exploration of complex potential energy surfaces. The final sections summarize practical aspects, including computational workflows for complex simulation tasks, the impact of current and future high-performance computing architectures, software engineering practices, education and training to maintain and broaden the community, as well as the status of and needs for electronic structure based modeling from the vantage point of industry environments. Overall, the field of electronic structure software and method development continues to unlock immense opportunities for future scientific discovery, based on the growing ability of computations to reveal complex phenomena, processes and properties that are determined by the make-up of matter at the atomic scale, with high precision.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Nuclear two point correlation functions on a quantum computer

The calculation of dynamic response functions is expected to be an early application benefiting from rapidly developing quantum hardware resources. The ability to calculate real-time quantities of strongly correlated quantum systems is one of the most exciting applications that can easily reach beyond the capabilities of traditional classical hardware. Response functions of fermionic systems at moderate momenta and energies corresponding roughly to the Fermi energy of the system are a potential early application because the relevant operators are nearly local, and the energies can be resolved in moderately short real time, reducing the spatial resolution and gate depth required. This is particularly the case in quasielastic electron and neutrino scattering from nuclei, a topic of great interest in the nuclear and particle physics communities and directly related to experiments designed to probe neutrino properties. In this paper we use current quantum hardware and error mitigation protocols to calculate response functions for a highly simplified nuclear model through calculations of a 2-point real time correlation function for a modified Fermi-Hubbard model in two dimensions with three distinguishable nucleons on four lattice sites.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2025

Lattice Effective Field Theory Simulations of Nuclei

Lattice effective field theory applies the principles of effective field theory in a lattice framework where space and time are discretized. Nucleons are placed on the lattice sites, and the interactions are tuned to replicate the observed features of the nuclear force. Monte Carlo simulations are then employed to predict the properties of nuclear few- and many-body systems. Here, we review the basic methods and several theoretical and algorithmic advances that have been used to further our understanding of atomic nuclei.

nuclear lattice effective field theory↗
DOE OSTI2022

Two-pion exchange as a leading-order contribution in chiral effective field theory

Pion exchange is the central ingredient to nucleon-nucleon interactions used in nuclear structure calculations, and one-pion exchange (OPE) enters at leading order in chiral effective field theory. In the 2S+1 L J = 1 S 0 partial wave, however, OPE and a contact term needed for proper renormalization fail to produce the qualitative, and quantitative, features of the scattering phase shifts. Cutoff variation also revealed a surprisingly low breakdown momentum Λ b ≈ 330 MeV in this partial wave. Here we show that potentials consisting of OPE, two-pion exchange (TPE), and a single contact address these problems and yield accurate and renormalization group (RG) invariant phase shifts in the 1 S 0 partial wave. Here, we demonstrate that a leading-order potential with TPE can be systematically improved by adding a contact quadratic in momenta. For momentum cutoffs Λ ≲ 500 MeV, the removal of relevant physics from TPE loops needs to be compensated by additional contacts to keep RG invariance. Inclusion of the Δ isobar degree of freedom in the potential does not change the strong contributions of TPE.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2025

Why Do Nuclei Stick Together?

Although quantum chromodynamics (QCD) has long been accepted as the underlying theory of the strong nuclear force, connecting the structure and interactions of nuclei to the fundamental parameters of QCD remains challenging. In this talk, I will present new results from lattice QCD and effective field theory that explore how nuclear interactions look in a world where the quarks are much heavier than they are in nature, and discuss lessons that can be learned for nuclear physics as well as searches for physics beyond the Standard Model.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2020

Nucleon-Nucleon Scattering Up to N5LO in Chiral Effective Field Theory

During the past few decades a large effort has been made toward describing the NN interaction in the framework of chiral Effective Field Theory (EFT). The main idea is to exploit the symmetries of QCD to obtain an effective theory for low energy nuclear systems. In 2003, the first accurate charge-dependent NN potential in this scheme was developed and it has been applied to many ab-initio calculations, opening the possibility to study nuclear systems in a systematic and accurate way. It was shown that the fourth order (N3LO) was necessary and sufficient to describe the NN scattering data with a χ 2 /d.o.f on the order of so-called high precision potentials. However the systematics of chiral EFT also allow to relate two- and many-body interactions in a well-defined way. Since many-body forces make their first appearance at higher order, they are substantially smaller than their two-body counterparts, but may never-the-less be crucial for some processes. Thus, there are observables where they can have a big impact and, for example, there are indications that they solve the long standing Ay puzzle of N-d scattering. The last few years, have also seen substantial progress toward higher orders of chiral EFT which was motivated by the fact that only three-body forces of rather high order may solve some outstanding issues in microscopic nuclear structure and reactions. In this chapter we will review the latest contributions of the authors to development of chiral EFT based potentials up to N4LO as well as first calculations conducted for NN scattering at N5LO.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2024

Constraining the Dense Matter Equation of State with New NICER Mass–Radius Measurements and New Chiral Effective Field Theory Inputs

Pulse profile modeling of X-ray data from the Neutron Star Interior Composition Explorer is now enabling precision inference of neutron star mass and radius. Combined with nuclear physics constraints from chiral effective field theory (χEFT), and masses and tidal deformabilities inferred from gravitational-wave detections of binary neutron star mergers, this has led to a steady improvement in our understanding of the dense matter equation of state (EOS). Here, we consider the impact of several new results: the radius measurement for the 1.42 M ⊙ pulsar PSR J0437−4715 presented by Choudhury et al., updates to the masses and radii of PSR J0740+6620 and PSR J0030+0451, and new χEFT results for neutron star matter up to 1.5 times nuclear saturation density. Using two different high-density EOS extensions—a piecewise-polytropic (PP) model and a model based on the speed of sound in a neutron star (CS)—we find the radius of a 1.4 M ⊙ (2.0 M ⊙ ) neutron star to be constrained to the 95% credible ranges ${12.28}_{-0.76}^{+0.50}$ km (${12.33}_{-1.34}^{+0.70}$ km) for the PP model and ${12.01}_{-0.75}^{+0.56}$ km (${11.55}_{-1.09}^{+0.94}$ km) for the CS model. The maximum neutron star mass is predicted to be ${2.15}_{-0.16}^{+0.14}$M ⊙ and ${2.08}_{-0.16}^{+0.28}$M ⊙ for the PP and CS models, respectively. We explore the sensitivity of our results to different orders and different densities up to which χEFT is used, and show how the astrophysical observations provide constraints for the pressure at intermediate densities. Moreover, we investigate the difference R 2.0 − R 1.4 of the radius of 2 M ⊙ and 1.4 M ⊙ neutron stars within our EOS inference.

gravitational wave sources↗
DOE OSTI2023

Multi-body entanglement and information rearrangement in nuclear many-body systems: a study of the Lipkin–Meshkov–Glick model

Here, we examine how effective-model-space (EMS) calculations of nuclear many-body systems rearrange and converge multi-particle entanglement. The generalized Lipkin-Meshkov-Glick (LMG) model is used to motivate and provide insight for future developments of entanglement-driven descriptions of nuclei. The effective approach is based on a truncation of the Hilbert space together with a variational rotation of the qubits (spins), which constitute the relevant elementary degrees of freedom. The non-commutivity of the rotation and truncation allows for an exponential improvement of the energy convergence throughout much of the model space. Our analysis examines measures of correlations and entanglement, and quantifies their convergence with increasing cut-off. We focus on one- and two-spin entanglement entropies, mutual information, and $n$-tangles for $n=2,4$ to estimate multi-body entanglement. The effective description strongly suppresses entropies and mutual information of the rotated spins, while being able to recover the exact results to a large extent with low cut-offs. Naive truncations of the bare Hamiltonian, on the other hand, artificially underestimate these measures. The $n$-tangles in the present model provide a basis-independent measures of $n$-particle entanglement. While these are more difficult to capture with the EMS description, the improvement in convergence, compared to truncations of the bare Hamiltonian, is significantly more dramatic. We conclude that the low-energy EMS techniques, that successfully provide predictive capabilities for low-lying observables in many-body systems, exhibit analogous efficacy for quantum correlations and multi-body entanglement in the LMG model, motivating future studies in nuclear many-body systems and effective field theories relevant to high-energy physics and nuclear physics.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2024

Wavefunction matching for solving quantum many-body problems

Ab initio calculations have an essential role in our fundamental understanding of quantum many-body systems across many subfields, from strongly correlated fermions to quantum chemistry and from atomic and molecular systems to nuclear physics. One of the primary challenges is to perform accurate calculations for systems where the interactions may be complicated and difficult for the chosen computational method to handle. Here we address the problem by introducing an approach called wavefunction matching. Wavefunction matching transforms the interaction between particles so that the wavefunctions up to some finite range match that of an easily computable interaction. This allows for calculations of systems that would otherwise be impossible owing to problems such as Monte Carlo sign cancellations. We apply the method to lattice Monte Carlo simulations of light nuclei, medium-mass nuclei, neutron matter and nuclear matter. We use high-fidelity chiral effective field theory interactions and find good agreement with empirical data. These results are accompanied by insights on the nuclear interactions that may help to resolve long-standing challenges in accurately reproducing nuclear binding energies, charge radii and nuclear-matter saturation in ab initio calculations.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2021

Geometry and entanglement in the scattering matrix

A formulation of nucleon–nucleon scattering is developed in which the S-matrix, rather than an effective-field theory (EFT) action, is the fundamental object. Spacetime plays no role in this description: the S-matrix is a trajectory that moves between RG fixed points in a compact theory space defined by unitarity. This theory space has a natural operator definition, and a geometric embedding of the unitarity constraints in four-dimensional Euclidean space yields a flat torus, which serves as the stage on which the S-matrix propagates. Trajectories with vanishing entanglement are special geodesics between RG fixed points on the flat torus, while entanglement is driven by an external potential. The system of equations describing S-matrix trajectories is in general complicated, however the very-low-energy S-matrix –that appears at leading-order in the EFT description– possesses a UV/IR conformal invariance which renders the system of equations integrable, and completely determines the potential. In this geometric viewpoint, inelasticity is in correspondence with the radius of a three-dimensional hyperbolic space whose two-dimensional boundary is the flat torus. This space has a singularity at vanishing radius, corresponding to maximal violation of unitarity. The trajectory on the flat torus boundary can be explicitly constructed from a bulk trajectory with a quantifiable error, providing a simple example of a holographic quantum error correcting code.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2024

Variational inference of effective range parameters for 3 He− 4 He scattering

We use two different methods, Monte Carlo sampling and variational inference (VI), to perform a Bayesian calibration of the effective-range parameters in 3 He– 4 He elastic scattering. The parameters are calibrated to data from a recent set of 3 He– 4 He elastic scattering differential cross section measurements. Analysis of these data for E lab ≤ 4.3 MeV yields a unimodal posterior for which both methods obtain the same structure. However, the effective-range expansion amplitude does not account for the 7/2 − state of 7 Be so, even after calibration, the description of data at the upper end of this energy range is poor. The data up to E lab = 2.6 MeV can be well described, but calibration to this lower-energy subset of the data yields a bimodal posterior. After adapting VI to treat such a multi-modal posterior we find good agreement between the VI results and those obtained with parallel-tempered Monte Carlo sampling.

effective field theory↗
DOE OSTI2023

Measurements and computational analysis of the natural decay of 176 Lu

Background: Mainly because of its long half-life and despite its scientific relevance, spectroscopic measurements of 176 Lu forbidden β decays are very limited and lack formulation of shape factors. A direct precise measurement of its Q value is also presently unreported. In addition, the description of forbidden decays provides interesting challenges for nuclear theory. The comparison of precise experimental results with theoretical calculations for these decays can help to test underlying models and can aid the interpretation of data from other experiments. Purpose: Perform the first precision measurements of 176 Lu β-decay spectra and attempt the observation of its electron capture decays, as well as perform the first precision direct measurement of the 176 Lu β-decay Q value. Compare the shape of the precisely determined experimental β spectra to theoretical calculations, and compare the end point energy to that obtained from an independent Q value measurement. Method: Here, the 176 Lu β-decay spectra measurements and the search for electron capture decays were performed with an experimental setup that employed lutetium-containing scintillator crystals and a NaI(Tl) spectrometer for coincidence counting. The β decay Q value was determined via high-precision Penning trap mass spectrometry (PTMS) with the LEBIT facility at the National Superconducting Cyclotron Laboratory. The β-spectrum calculations were performed within the Fermi theory formalism with nuclear structure effects calculated using a shell model approach. Results: Both β transitions of 176 Lu were experimentally observed and corresponding shape factors formulated in their entire energy ranges. The search for electron capture decay branches led to an experimental upper limit of 6.3×10 –6 relative to its β decays. The 176 Lu β-decay and electron capture Q values were measured using PTMS to be 1193.0(6) and 108.9(8) keV, respectively. This enabled precise β end point energies of 596.2(6) and 195.3(6) keV to be determined for the primary and secondary β decays, respectively. The conserved vector current hypothesis was applied to calculate the relativistic vector matrix elements. The β-spectrum shape was shown to significantly depend on the Coulomb displacement energy and on the value of the axial vector coupling constant gA, which was extracted according to different assumptions. Conclusion: The implemented self-scintillation method has provided unmatched observations of 176 Lu, independently validated by the first direct measurements of its β-decay Q value by Penning trap mass spectrometry. Theoretical study of the main β transition led to the extraction of very different effective gA and log10f values, showing that a high-precision description of this transition would require a realistic nuclear structure with nucleus deformation.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2025

Bayesian analysis of nucleon-nucleon scattering data in pionless effective field theory

We perform Bayesian model calibration of two-nucleon (NN) low-energy constants (LECs) appearing in an NN interaction based on pionless effective field theory (πEFT). The calibration is carried out for potentials constructed using naive dimensional analysis in NN relative momenta (p) up to next-to-leading order [NLO, O(p 2 )] and next-to-next-to-next-to-leading order [N3LO, O(p 4 )]. We consider two classes of pionless πEFT potential: one that acts in all partial waves and another that is dominated by s-wave physics. The two classes produce broadly similar results for calibrations to NN data up to E lab = 5 MeV. Our analysis accounts for the correlated uncertainties that arise from the truncation of the pionless πEFT. We simultaneously estimate both the πEFT LECs and the parameters that quantify the truncation error. This permits the first quantitative estimates of the pionless πEFT breakdown scale, Λ b : the 95% intervals are Λ b ∈[50.11,63.03] MeV at NLO and Λ b ∈[72.27,88.54] MeV at N3LO. Furthermore, invoking naive dimensional analysis for the NN potential, therefore, does not lead to consistent results across orders in pionless πEFT. This exemplifies the possible use of Bayesian tools to identify inconsistencies in a proposed EFT power counting.

Bayesian methods↗