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At least 19 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Machine Learning for Neutron Resonance Evaluations [Slides]

The performance of nuclear reactors and other nuclear systems depends on a precise understanding of the neutron interaction cross sections for materials used in these systems. These cross sections exhibit a resonance structure whose shape is determined in part by the angular momentum quantum numbers of the resonances. The correct assignment of the quantum numbers of neutron resonances is therefore of paramount importance. In this presentation, we describe the application of machine learning to automate the quantum number assignments. Scikit-learn classifiers were trained on simulated resonance data whose statistical properties were chosen to mimic real data. We explored the use of several physics (and random matrix theory)-motivated features for training the classifiers, including the nearest neighbor spacing distribution, cumulative level distribution, and channel width distributions. Initial results demonstrated that we can determine resonance spin groups somewhat reliably. We are now investigating the application of our approach to 52 Cr resonance data.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2020

Machine learning applied to classifying neutron resonances

The performance of nuclear reactors and other nuclear systems depends on a precise understanding of the neutron interaction cross sections for materials used in these systems. These cross sections exhibit resonance structure whose shape is determined in part by the angular momentum quantum numbers of the resonances. The correct assignment of the quantum numbers of neutron resonances is therefore of paramount importance. In this project, we apply a machine learning technique, namely decision trees, to automate the quantum number assignments. The tree is trained from simulated data generated to mimic the errors found in real data. We explore the use of several physics-motivated features for training our trees, including the nearest neighbor spacing distribution, cumulative level distribution, and channel width distributions. Initial results using random matrix theory motivated fits which demonstrated that we can determine resonance spin groups somewhat reliably. If we use these fits as features in our trees, we can train them to spot outliers corresponding to misassigned resonances. We found that with the large number of features used in this project that the decision tree tended to over t training data resulting in poor performance with respect to the test data. By reducing the number of features, we can achieve nearly perfect assignment of quantum numbers with our training data.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2023

Partial-wave decomposition of the Keldysh ionization amplitude

We present an alternative way of calculating the Keldysh amplitude, i.e., the length-gauge form of the ionization amplitude in the strong-field approximation. The amplitude is evaluated exactly by expanding it in Fourier components and partial waves. Comparisons of the semianalytic model predictions with results of ab initio numerical simulations of the time-dependent Schrödinger equation for the interaction of electrons in short-range potentials with intense laser light yield excellent agreement, for wavelengths from the single photon to the multiphoton to the tunneling regime. Specifically, for ionization from initial states with higher angular momentum quantum number, e.g., p states, a significant improvement over predictions based on the popular saddle-point approximation is found. Furthermore, the current model rate allows for interpretation of the strong-field ionization process in terms of multiphoton absorption pathways and angular momentum selection rules.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2021

Rotational Modulation of à 2 A State Photodissociation of HCO via Renner-Teller Nonadiabatic Transitions

By examining the product-state distribution of a prototypical non- adiabatic predissociation system, HCO($Ã^2A''–\tilde X^2A'$), we demonstrate here that the dissociation dynamics is strongly modulated by parent rotational quantum numbers. The predissociation of the nominal ($ν_{\text{C–H}} = 0, ν_{\text{bend}}, ν_{\text{C–O}} = 1$) vibronic levels of the $AÃ^2A''$ state surprisingly gives rise to both vibrational ground and excited states of the CO product, despite the assumed spectator nature of the CO moiety. This anomaly is attributed to the dependence of the lifetime of the vibronic resonance facilitated by the Renner–Teller interaction on the parent rotational angular momentum quantum numbers coupled with transient intensity borrowing from nearby vibronic resonances with $ν_{\text{C–O}} = 0$. This unique phenomenon is a purely quantum mechanical behavior that has no classical analogue.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Novel machine-learning method for spin classification of neutron resonances

The performance of nuclear reactors and other nuclear systems depends on a precise understanding of the neutron interaction cross sections for materials used in these systems. These cross sections exhibit resonant structure whose shape is determined in part by the angular-momentum quantum numbers of the resonances. The correct assignment of the quantum numbers of neutron resonances is, therefore, paramount. In this project, we apply machine learning to automate the quantum number assignments using only the resonances' energies and widths and not relying on detailed transmission or capture measurements. The classifier used for quantum number assignment is trained using stochastically generated resonance sequences whose distributions mimic those of real data. Here we explore the use of several physics-motivated features for training our classifier. These features amount to out-of-distribution tests of a given resonance's widths and resonance-pair spacings. We pay special attention to situations where either capture widths cannot be trusted for classification purposes or where there is insufficient information to classify resonances by the total spin J. We demonstrate the efficacy of our classification approach using simulated and actual 52 Cr resonance data.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2025

Bottomonium suppression in pNRQCD and open quantum system approach

By employing the potential non-relativistic quantum chromodynamics (pNRQCD) effective field theory within an open quantum system framework, we derive a Lindblad equation governing the evolution of the heavy-quarkonium reduced density matrix, accurate to next-to-leading order (NLO) in the ratio of the state's binding energy to the medium's temperature [1]. The derived NLO Lindblad equation provides a more reliable description of heavy-quarkonium evolution in the quark-gluon plasma at low temperatures compared to the leading-order truncation. For phenomenological applications, we numerically solve this equation using the quantum trajectories algorithm. By averaging over Monte Carlo-sampled quantum jumps, we obtain solutions without truncation in the angular momentum quantum number of the considered states. Our analysis highlights the importance of quantum jumps in the nonequilibrium evolution of bottomonium states within the quark-gluon plasma [2]. Additionally, we demonstrate that the quantum regeneration of singlet states from octet configurations is essential to explain experimental observations of bottomonium suppression. The heavy-quarkonium transport coefficients used in our study align with recent lattice QCD determinations.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2022

Angular-momentum projection in coupled-cluster theory: Structure of 34 Mg

Single- reference coupled-cluster theory is an accurate and affordable computational method for the nuclear many-body problem. For open-shell nuclei, the reference state typically breaks rotational invariance and angular momentum must be restored as a good quantum number. We perform angular-momentum projection after variation and employ the disentangled coupled-cluster formalism and a Hermitian approach. We compare our results with benchmarks for 8 Be and 20 Ne using a two-nucleon interaction from chiral effective field theory and for pf-shell nuclei within the traditional shell model. We compute the rotational band in the exotic nucleus 34 Mg and find agreement with data.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2022

Simulations for x-ray imaging of wave-packet dynamics

Previous work on imaging wave-packet dynamics with x-ray scattering revealed that the scattering patterns deviate substantially from the notion of instantaneous momentum density of the wave packet. Here we show that scattering patterns can provide clear insights into the electron wave-packet dynamics if the final state of the scattered electron and the scattered photon momentum are determined simultaneously. The scattering probability is shown to be proportional to the modulus square of the Fourier transform of the instantaneous electronic spatial wave function weighted by the final state of the electron. Several cases for the choice of final state of the electron are explored. First, the case where the final state can be measured up to a given principal quantum number n and orbital angular momentum l are presented. Next, the case where the final states can only be determined up to a given energy is discussed. Lastly, the case of an initial wave packet consisting of a large amount of a known stationary state and a small amount of an unknown stationary state is examined. The scattering profile is used to determine the properties of the unknown state in the wave packet.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2020

Symmetry reduction of tensor networks in many-body theory: I. Automated symbolic evaluation of SU(2) algebra

Abstract The ongoing progress in (nuclear) many-body theory is accompanied by an ever-rising increase in complexity of the underlying formalisms used to solve the stationary Schrödinger equation. The associated working equations at play in state-of-the-art ab initio nuclear many-body methods can be analytically reduced with respect to angular-momentum, i.e. SU (2), quantum numbers whenever they are effectively employed in a symmetry-restricted context. The corresponding procedure constitutes a tedious and error-prone but yet an integral part of the implementation of those many-body frameworks. Indeed, this symmetry reduction is a key step to advance modern simulations to higher accuracy since the use of symmetry-adapted tensors can decrease the computational complexity by orders of magnitude. While attempts have been made in the past to automate the (anti-) commutation rules linked to Fermionic and Bosonic algebras at play in the derivation of the working equations, there is no systematic account to achieve the same goal for their symmetry reduction. In this work, the first version of an automated tool performing graph-theory-based angular-momentum reduction is presented. Taking the symmetry-unrestricted expressions of a generic tensor network as an input, the code provides their angular-momentum-reduced form in an error-safe way in a matter of seconds. Several state-of-the-art many-body methods serve as examples to demonstrate the generality of the approach and to highlight the potential impact on the many-body community.

Tichai, A.↗
DOE OSTI2026

Relativistic collapse of the classical triple bond in the CBi − molecular ion

The conventional framework for chemical bonding between main-group elements involves separate σ and π orbitals to describe multiple bonds. However, relativistic effects mix these orbitals in molecules containing heavy elements through spin–orbit coupling, leaving the total angular-momentum projection (ω) as the only good quantum number. Direct experimental evidence that relativistic effects change the σ-π bonding framework has remained elusive. Here, we probe the carbon-bismuth triple bond in the CBi − anion using high-resolution cryogenic photoelectron spectroscopy, coupled with relativistic four-component Dirac-Coulomb coupled-cluster calculations. Furthermore, even though the CBi − anion is isovalent to the well-known CN − species, we demonstrate that the traditional σ + 2π triple-bond picture collapses into a pure π-like |ω| = 3/2 and two |ω| = 1/2 Kramers pairs containing substantial σ/π mixing.

Kahraman, Deniz [Brown University, Providence, RI ↗
DOE OSTI2024

Model-independent predictions for decays of hidden-heavy hadrons into pairs of heavy hadrons

Hidden-heavy hadrons can decay into pairs of heavy hadrons through transitions from confining Born-Oppenheimer potentials to hadron-pair potentials with the same Born-Oppenheimer quantum numbers. The transitions are also constrained by conservation of angular momentum and parity. From these constraints, we derive model-independent selection rules for decays of hidden-heavy hadrons into pairs of heavy hadrons. The coupling potentials are expressed as sums of products of Born-Oppenheimer transition amplitudes and angular-momentum coefficients. If there is a single dominant Born-Oppenheimer transition amplitude, it factors out of the coupling potentials between hidden-heavy hadrons in the same Born-Oppenheimer multiplet and pairs of heavy hadrons in specific heavy-quark-spin-symmetry doublets. If furthermore the kinetic energies of the heavy hadrons are much larger than their spin splittings, we obtain analytic expressions for the relative partial decay rates in terms of Wigner 6 j and 9 j symbols. We consider in detail the decays of quarkonia and quarkonium hybrids into the lightest heavy-meson pairs. For quarkonia, our model-independent selection rules and relative partial decay rates agree with previous results from quark-pair-creation models in simple cases and give stronger results in other cases. For quarkonium hybrids, we find disagreement even in simple cases. Published by the American Physical Society 2024

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2024

High-angular-momentum Rydberg states in a room-temperature vapor cell for dc electric-field sensing

We prepare and analyze Rydberg states with orbital quantum numbers ℓ ≤ 6 using three-optical-photon electromagnetically induced transparency (EIT) and radio frequency (rf) dressing, and employ the high- ℓ states in electric-field sensing. Rubidium-85 atoms in a room-temperature vapor cell are first promoted into the 25 F 5 / 2 state via Rydberg-EIT with three infrared laser beams. Two rf dressing fields then (near-)resonantly couple the 25 F , 25 H ( ℓ = 5 ) , and 25 I ( ℓ = 6 ) Rydberg states. The dependence of the rf-dressed Rydberg-state level structure on rf powers, rf and laser frequencies is characterized using EIT. Furthermore, we discuss the principles of dc-electric-field sensing using high- ℓ Rydberg states and experimentally demonstrate the method using test electric fields of ≲ 50 V/m induced via photo-illumination of the vapor-cell wall. We measure the highly nonlinear dependence of the dc-electric-field strength on the power of the photo-illumination laser. Numerical calculations, which reproduce our experimental observations well, elucidate the underlying physics. Our paper is relevant to high-precision spectroscopy of high- ℓ Rydberg states, Rydberg-atom-based electric-field sensing, and plasma electric-field diagnostics. Published by the American Physical Society 2024

Duspayev, Alisher (ORCID:0000000153225762)↗
DOE OSTI2025

Fully gauge-fixed SU(2) Hamiltonian for quantum simulations

Here, we demonstrate how to construct a fully gauge-fixed lattice Hamiltonian for a pure SU(2) gauge theory. Our work extends upon previous work, where a formulation of an SU(2) lattice gauge theory was developed that is efficient to simulate at all values of the gauge coupling. That formulation utilized maximal-tree gauge, where all local gauge symmetries are fixed and a residual global gauge symmetry remains. By using the geometric picture of an SU(2) lattice gauge theory as a system of rotating rods, we demonstrate how to fix the remaining global gauge symmetry. In particular, the quantum numbers associated with total charge can be isolated by rotating between the lab and body frames using the three Euler angles. The Hilbert space in this new “sequestered” basis partitions cleanly into sectors with differing total angular momentum, which makes gauge-fixing to a particular total charge sector trivial, particularly for the charge-zero sector. In addition to this sequestered basis inheriting the property of being efficient at all values of the coupling, we show that, despite the global nature of the final gauge-fixing procedure, this Hamiltonian can be simulated using quantum resources scaling only polynomially with the lattice volume.

Lattice gauge theory↗
DOE OSTI2023

Spin-textured neutron beams with orbital angular momentum

In this work, we present a rigorous theoretical framework underpinning the technique of spin-echo modulated small-angle neutron scattering (SEMSANS), and show how the technique can be extended in order to generate spin-textured neutron beams with orbital angular momentum (OAM) via birefringent neutron spin-polarization devices known as magnetic Wollaston prisms. Neutron OAM beams are mathematically characterized by a “cork-screw” phase singularity e iℓΦ about the propagation axis where ℓ is the OAM quantum number. To understand the precise relationship between the emergent OAM state and the variety of spin textures realized by various setups, we have developed a path-integral approach that in the interferometric limit makes a judicious use of magnetic Snell's law. We show that our proposed technique produces a complex two-dimensional pattern of spin-OAM entangled states which may be useful as a probe of quantum magnetic materials. We compare our path-integral approach to the well-known single-path Larmor precession model and present a pedagogical derivation of magnetic Snell's law of refraction for both massive and massless particles based on Maupertuis's action principle.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2022

Pairwise Multiparticle States and the Monopole Unitarity Puzzle

We suggest a novel resolution for a decades old mystery-what happens when a positron scatters off a minimal grand-unification-theory monopole in an s wave, a puzzle first discussed by Callan in 1983. Using the language of on shell amplitudes and pairwise helicity we suggest that the final state contains two up quarks and a down quark in an entangled "pairwise" multiparticle state-the only particle final state that satisfies angular momentum and gauge charge conservation. The cross section for this process is as large as in the original Rubakov-Callan effect, only suppressed by the QCD scale. The final state we find cannot be seen in Callan's truncated 2D theory, since our new pairwise state appears only in more than two dimensions.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2023

Partons as unique ground states of quantum Hall parent Hamiltonians: The case of Fibonacci anyons

We present microscopic, multiple Landau level, (frustration-free and positive semi-definite) parent Hamiltonians whose ground states, realizing different quantum Hall fluids, are parton-like and whose excitations display either Abelian or non-Abelian braiding statistics. We prove ground state energy monotonicity theorems for systems with different particle numbers in multiple Landau levels, demonstrate S-duality in the case of toroidal geometry, and establish complete sets of zero modes of special Hamiltonians stabilizing parton-like states, specifically at filling factor \nu=2/3 ν = 2 / 3 . The emergent Entangled Pauli Principle (EPP), introduced in [Phys. Rev. B 98, 161118(R) (2018)] and which defines the “DNA” of the quantum Hall fluid, is behind the exact determination of the topological characteristics of the fluid, including charge and braiding statistics of excitations, and effective edge theory descriptions. When the closed-shell condition is satisfied, the densest (i.e., the highest density and lowest total angular momentum) zero-energy mode is a unique parton state. We conjecture that parton-like states generally span the subspace of many-body wave functions with the two-body M M -clustering property within any given number of Landau levels, that is, wave functions with M M th-order coincidence plane zeroes and both holomorphic and anti-holomorphic dependence on variables. General arguments are supplemented by rigorous considerations for the M=3 M = 3 case of fermions in four Landau levels. For this case, we establish that the zero mode counting can be done by enumerating certain patterns consistent with an underlying EPP. We apply the coherent state approach of [Phys. Rev. X 1, 021015 (2011)] to show that the elementary (localized) bulk excitations are Fibonacci anyons. This demonstrates that the DNA associated with fractional quantum Hall states encodes all universal properties. Specifically, for parton-like states, we establish a link with tensor network structures of finite bond dimension that emerge via root level entanglement.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2026

Symmetrizing relativistic three-body partial wave amplitudes

S matrix principles and symmetries impose constraints on three-particle scattering amplitudes, which can be formulated as a class of integral equations for their partial wave projections. However, these amplitudes are typically expressed in an asymmetric basis, where one of the initial and final state particles is singled out, and all quantum numbers are defined relative to this spectator. In this work, we show how to construct symmetric partial wave amplitudes, which have been symmetrized over all possible spectator combinations, using their asymmetric counterparts and sets of recoupling coefficients. We derive these recoupling coefficients for arbitrary angular momentum and isospin for arbitrary systems of spinless particles with SU(2) flavor symmetry. We propose a simple intensity observable suitable for visualizing the structure of three-body dynamics in Dalitz distributions. Finally, we provide some numerical examples of Dalitz distributions relevant for future lattice QCD calculations of 3⁢𝜋 systems and provide numerical evidence that the symmetrization procedure is consistent with expected symmetries of Dalitz plots.

Lattice QCD↗
DOE OSTI2024

Model-independent predictions for decays of double-heavy hadrons into pairs of heavy hadrons

Double-heavy hadrons can decay into pairs of heavy hadrons through transitions from confining Born-Oppenheimer potentials to heavy-hadron-pair potentials with the same Born-Oppenheimer quantum numbers. The states of the double-heavy hadron are constrained by a Born-Oppenheimer exclusion principle from the identical heavy quarks. The states of a pair of identical heavy hadrons are constrained by exclusion principles from identical particles. The transitions are also constrained by conservation of angular momentum and parity. From these constraints, we derive model-independent selection rules for decays of double-heavy hadrons into pairs of heavy hadrons. The coupling potentials are expressed as sums of products of Born-Oppenheimer transition amplitudes and angular-momentum coefficients. If there is a single dominant Born-Oppenheimer transition amplitude, it factors out of the coupling potentials between double-heavy hadrons in the same Born-Oppenheimer multiplet and pairs of heavy hadrons in specific heavy-quark-spin-symmetry multiplets and out of the corresponding partial decay rates. As examples, we discuss the Born-Oppenheimer potentials and multiplets for conventional double-heavy baryons and for double-heavy tetraquark mesons. We also discuss the relative partial decay rates for conventional double-heavy baryons into pairs of heavy hadrons.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗