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All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

coh3

CoH3 (CoH ver.3) is an optical model, exciton pre-equilibrium, and Hauser-Feshbach statistical model code, which calculates nuclear reaction cross sections for medium to heavy targets in the keV to MeV energy region. This program is written in standard C++, divided into approximately 200 source and header files. CoH solves the Schroedinger equation for optical potentials defined in the code, and calculates differential elastic scattering, reaction, and total cross sections, for neutron, proton, deuteron, triton, 3He, and alpha-particle. Deformed optical potentials are solved with the coupled-channels method, in which the ground state rotational band members, or vibrational phonon states are coupled. The optical model gives particle transmission coefficients that are fed into the statistical model calculations. CoH includes the pre-equilibrium model (exciton model), the direct/semidirect capture model, and the multi-stage Hauser-Feshbach statistical decay with width fluctuation correction based on the Gaussian orthogonal ensemble. For weakly coupled levels, the DWBA (distorted wave Born approximation) method is used to calculate the direct inelastic scattering process to the excited states.

Kawano, Toshihiko↗
DOE OSTI2025

Classical eikonal from Magnus expansion

In a classical scattering problem, the classical eikonal is defined as the generator of the canonical transformation that maps in-states to out-states. It can be regarded as the classical limit of the log of the quantum S-matrix. In a classical analog of the Born approximation in quantum mechanics, the classical eikonal admits an expansion in oriented tree graphs, where oriented edges denote retarded/advanced worldline propagators. The Magnus expansion, which takes the log of a time-ordered exponential integral, offers an efficient method to compute the coefficients of the tree graphs to all orders. We exploit a Hopf algebra structure behind the Magnus expansion to develop a fast algorithm which can compute the tree coefficients up to the 12th order (over half a million trees) in less than an hour. In a relativistic setting, our methods can be applied to the post-Minkowskian (PM) expansion for gravitational binaries in the worldline formalism. We demonstrate the methods by computing the 3PM eikonal and find agreement with previous results based on amplitude methods. Importantly, the Magnus expansion yields a finite eikonal, while the naïve eikonal based on the time-symmetric propagator is infrared-divergent from 3PM on.

Black Holes↗
DOE OSTI2022

In-flight production of an isomeric beam of 16 N

In this work, an in-flight beam of 16 N was produced via the single-neutron adding ($\textit{d,p}$) reaction in inverse kinematics at the recently upgraded Argonne Tandem Linear Accelerator System (ATLAS) in-flight system. The amount of the 16 N beam which resided in its excited 0.120 MeV $J^\pi$ = 0 – isomeric state (T 1/2 ≈ 5 μs) was determined to be 40(5)% at a reaction energy of 7.9(3) MeV/$\textit{u}$, and 24(2)% at a reaction energy of 13.2(2) MeV/$\textit{u}$. The isomer measurements took place at an experimental station ≈ 30 m downstream of the production target and utilized an Al beam-stopping foil and a HPGe Clover detector. Composite 16 N beam rate determinations were made at the experimental station and the focal plane of the Argonne in-flight radioactive ion-beam separator (RAISOR) with Si ΔE-E telescopes. A Distorted Wave Born Approximation (DWBA) approach was coupled with the known spectroscopic information on 16 N in order to estimate the relative 16 N isomer yields and composite 16 N beam rates. In addition to the observed reaction-energy dependence of the isomer fraction, a large sensitivity to the angular acceptance of the recoils was also observed.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2025

Observation of three-proton-decaying resonant states in 21 Al

The structure of the proton-unbound nucleus 21 Al has been studied via proton transfer from a 9 Be target to a 20 Mg beam at E/A = 103 MeV. Three resonant states in 21 Al are identified by the invariant-mass reconstruction of 18 Ne + 3p events. The decay-energy spectra for the two subsystems of 21 Al , i.e. 18 Ne+ 1 p and 18 Ne+ 2 p , indicate that the observed resonant state with the lowest energy has decay branches consisting of three sequential steps of one-proton decay. Based on the ab initio and the distorted-wave Born approximation (DWBA) calculations, this resonant state at Ε ⁎ = 6.09(11) MeV likely has a spin-parity of (1/2 + - 7/2 + ). Meanwhile, the possibility that the observed resonant peak represents an admixture of several states cannot be ruled out. The good isospin-symmetry of the low-lying states with d 5/2 , d 3/2 configurations in the 21 Al- 21 O pair and the ab initio calculations indicate weak configuration mixing between the s - and d -orbital components. The systematics of experimental energy differences between the 5/2 + ground state and lowest-lying 3/2 + excited state for isotopes (isotones) of Z(N) = 13 suggest a likely semimagic nature of 21 Al.

21Al↗
DOE OSTI2023

Effects of the Grazing Incidence Geometry on X-ray Photon Correlation Spectroscopy Measurements

X-ray photon correlation spectroscopy (XPCS) is a versatile tool to measure dynamics on the nanometer to micrometer scale in bulk samples. XPCS has also been applied in grazing incidence (GI) geometry to examine the dynamics of surface layers. However, considering GI scattering experiments more universally, the GI geometry leads to a superposition of signals due to reflection and refraction effects, also known from the distorted-wave Born approximation (DWBA). In this paper, the impact of these reflection and refraction effects on the correlation analysis is determined experimentally by measuring grazing incidence transmission XPCS (GT-XPCS) and grazing incidence XPCS (GI-XPCS) simultaneously for a thin film sample, showing non-equilibrium dynamics. Here the results of the GI and GT geometry comparisons are combined within the framework of the standardly applied, simplified DWBA. These calculations allow identifying the main contributions of the detected signal from the leading scattering terms along the out-of-plane direction q z , which dominate the measured intensity pattern on the detector. In combination with the calculation of the non-linear effect of refraction in GTSAXS and GISAXS, it is possible to identify experimental conditions that can be chosen to run experiments and data analysis as close as possible to transmission XPCS and to explain which limitations for data interpretations are observed. Consequently, the beam exposure can be significantly reduced by using GI geometry only. Calculations of experimental settings prior to experiments are detailed to determine suitable q z regions for a variety of material systems measured in bulk-sensitive GI-XPCS experiments, allowing us to determine the scaling behavior of typical decay times as a function of q that is comparable to the scaling behavior obtained in distortion-free GT-XPCS or transmission XPCS experiments.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Double differential distributions of e-emission in ionization of N 2 by 3,4 and 5 keV electron impact

In this paper, we report the measurement of the absolute double differential cross sections (DDCS) of secondary electrons emitted due to the ionization of N2 molecule in collisions with fast electrons having energies between 3 and 5 keV. The emitted electrons with energies from 1-500 eV have been measured for different forward and backward emission angles. The measured DDCS have been compared with the state-of-the-art first Born approximation with correct boundary condition (CB1) model calculations as well as with the classical trajectory Monte Carlo (CTMC) method. From the measured DDCS, the single differential cross sections (SDCS) as a function of the emission energies have been computed and eventually the total ionization cross sections (TCS) have been derived. The TCS values are also compared with a semi-empirical calculation, namely, the CSP-ic (complex scattering potential-ionization contribution) model.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2021

Electron emission from fluorene (C 13 H 10 ) upon 3.5 MeV/u Si 8+ ion impact: double differential distributions

In this work, we have studied the electron emission from one of the polycyclic aromatic hydrocarbon (PAH) molecules namely, fluorene (C13H10), upon 3.5 MeV/u Si8+ ion impact. The experimentally measured absolute double differential cross sections (DDCS) are compared with the continuum distorted wave-eikonal initial state (CDW-EIS) model and the first Born approximation including correct boundary conditions (CB1). The measurements are carried out in the ejected e⁻-energy range of 1 eV–400 eV and in the angular range of 20°–160°. We have obtained the single differential and the total cross sections (TCSs) of e⁻-emission as well. The CB1 calculation largely underestimates the data. The CDW-EIS model, which is applied for the PAH molecule for the first time, provides an overall better agreement with the double differential, single differential and TCS data. The DDCS data for fluorene has also been compared with that for CH4 molecule, at a few angles. The forward–backward angular asymmetry shows a relatively flatter distribution compared to the theoretical predictions. The contribution due to the giant plasmon resonance could not be clearly observed except a mild indication in the asymmetry parameter. The angular distribution of the carbon KLL Auger electron cross section shows certain variations. The study of the KLL hyper-satellite component indicates the double K-ionization cross section is about 8.6% of the single K-ionization one.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2025

Valence 1⁢𝑠−0⁢𝑑 proton vacancy of the 32 Si ground state

The 32 Si( 3 He,d) 33 P reaction was studied in inverse kinematics at 6.3 MeV/u. States in 33 P corresponding to the proton 1s-0d single-particle orbitals were identified up to ≈ 4.5 MeV in excitation energy. The ( 3 He,d) spectroscopic factors were determined from distorted-wave Born approximation calculations. When combined with complementary neutron-adding data, the 1s-0d proton vacancies in the 32 Si ground state were extracted. In conjunction with a reanalysis of data from previous single-particle measurements, the trends in proton and neutron vacancy were explored across the 28,30,32,34 Si isotopes. Both proton and neutron vacancy data show gradual changes in their occupancies. The proton 1s 1/2 orbitals in 32 Si and 34 Si are both consistent with being empty. In conclusion, the ground-state nucleon distributions are described by shell-model calculations constrained to the 1s-0d model space.

Watwood, N. [Argonne National Laboratory (ANL), Ar↗
DOE OSTI2020

Ultrafast nonequilibrium evolution of excitonic modes in semiconductors

We study the time evolution of excitonic states after photoexcitation in the one-dimensional spinless extended Falicov-Kimball model. Several numerical methods are employed and benchmarked against each other: time-dependent mean-field simulations, the second-Born approximation (2BA) within the Kadanoff-Baym formalism, the generalized Kadanoff-Baym ansatz (GKBA) implemented with the 2BA, and the infinite time-evolving block decimation (iTEBD) method. It is found that the GKBA gives the best agreement with iTEBD and captures the relevant physics. Excitations to the particle-hole continuum and resonant excitations of the equilibrium exciton result in a qualitatively different dynamics. In the former case, the exciton binding energy remains positive and the frequency of the corresponding coherent oscillations is smaller than the band gap. On the other hand, resonant excitations trigger a collective mode whose frequency is larger than the band gap. We discuss the origin of these different behaviors by evaluating the nonequilibrium susceptibility using the nonthermal distribution and a random phase approximation. We note the peculiar mode with frequency larger than the band gap is associated with a partial population inversion with a sharp energy cutoff. We also discuss the effects of the cooling by a phonon bath. We demonstrate the real-time development of coherence in the polarization, which indicates excitonic condensation out of equilibrium.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2023

Spin-mediated Mott excitons

Motivated by recent experiments on Mott insulators, in both iridates and ultracold atoms, we theoretically study the effects of magnetic order on the Mott-Hubbard excitons. In particular, we focus on spin-mediated doublon-holon pairing in Hubbard materials. Here, we use several complementary theoretical techniques: Mean-field theory to describe the spin degrees of freedom, the self-consistent Born approximation to characterize individual charge excitations across the Hubbard gap, and the Bethe-Salpeter equation to identify bound states of doublons and holons. The binding energy of the Mott exciton is found to increase with increasing the Néel order parameter, whereas the exciton mass decreases. We observe that these trends rely significantly on the retardation of the effective interaction, and require consideration of multiple effects from changing the magnetic order. Our results are consistent with the key qualitative trends observed in recent experiments on iridates. Moreover, the findings could have direct implications on ultracold atom Mott insulators where the Hubbard model is the exact description of the system and the microscopic degrees of freedom can be directly accessed.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2023

Three-dimensional structure of hybrid magnetic skyrmions determined by neutron scattering

Magnetic skyrmions are topologically protected chiral spin textures which present opportunities for next-generation magnetic data storage and logic information technologies. The topology of these structures originates in the geometric configuration of the magnetic spins, more generally described as the structure. While the skyrmion structure is most often depicted using a two-dimensional projection of the three-dimensional (3D) structure, recent works have emphasized the role of all three dimensions in determining the topology and their response to external stimuli. Here, grazing-incidence small-angle neutron scattering and polarized neutron reflectometry are used to determine the 3D structure of hybrid skyrmions. The structure of the hybrid skyrmions, which includes a combination of Néel-like and Bloch-like components along their length, is expected to significantly contribute to their notable stability, which includes ambient conditions. To interpret the neutron scattering data, micromagnetic simulations of the hybrid skyrmions were performed, and the corresponding diffraction patterns were determined using a Born approximation transformation. The converged magnetic profile reveals the magnetic structure along with the skyrmion depth profile, including the thickness of the Bloch and Néel segments and the diameter of the core.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2023

Machine learning the spectral function of a hole in a quantum antiferromagnet

Understanding charge motion in a background of interacting quantum spins is a fundamental problem in quantum many-body physics. The most extensively studied model for this problem is the so-called t-t'-t''-J model, where the determination of the parameter t' in the context of cuprate superconductors is challenging. Here we present a theoretical study of the spectral functions of a mobile hole in the t-t'-t''-J model using two machine-learning techniques: K-nearest neighbor regression (KNN) and a feed-forward neural network (FFNN). We employ the self-consistent Born approximation to generate a dataset of about 1.3 x 10 5 spectral functions. Here we show that, for the forward problem, both methods allow for the accurate and efficient prediction of spectral functions, allowing, e.g., rapid searches through parameter space. Furthermore, we find that for the inverse problem (inferring Hamiltonian parameters from spectra), the FFNN can, but the KNN cannot, accurately predict the model parameters using merely the density of states. Our results suggest that it may be possible to use deep-learning methods to predict materials parameters from experimentally measured spectral functions.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2020

Neutron-hole strength in N = 81 nuclei

A systematic study of neutron-hole strength in the N = 81 nuclei 137 Ba, 139 Ce, 141 Nd, and 143 Sm is reported. The single-neutron removal reactions (p,d) and ( 3 He,α) were measured at energies of 23 and 34 MeV, respectively. Spectroscopic factors were extracted from measured cross sections through a distorted-wave Born approximation analysis and centroids of single-particle strength have been established. Here, the change in these centroid energies as a function of proton number have been compared to calculations of the monopole shift for the s 1/2 and h 11/2 orbitals, where the majority of the strength has been observed. Significant fragmentation of strength was observed for the d and g 7/2 orbitals, particularly for the latter orbital which is deeply bound, with summed strengths that indicate a significant amount lies outside of the measured excitation energy range.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2020

Bayesian analysis of the Zn 70 ( d , He 3 ) Cu 69 transfer reaction

Transfer reactions provide information about the single-particle nature of nuclear levels. In particular, the differential cross sections from these measurements are sensitive to the angular momentum of the transferred particle and the spectroscopic factor of the populated level. However, the process of extracting these properties is subject to uncertainties, both from experimental and theoretical sources. By integrating the distorted wave Born approximation into a Bayesian model, we propagate these uncertainties through to the spectroscopic factors and orbital angular momentum values. We use previously reported data of the proton pickup reaction Zn 70 ( d , He 3 ) Cu 69 as an example. By accounting for uncertainties in the experimental data, optical model parameters, and reaction mechanism, we find that the extracted spectroscopic factors for low-lying states of 69 Cu are subject to large, asymmetric uncertainties ranging from 35 to 108%. Additionally, Bayesian model comparison is employed to assign probabilities to each of the allowed angular momentum transfers. This method confirms the assignments for many states, but suggests that the data for a state lying at 3.70 MeV are better characterized by an ℓ =3 transfer, rather than the previously reported ℓ =2 .

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2020

Level Structure of {sup 31}S Via {sup 32}S({ital p,d}) {sup 31}S

Background: Properties of proton-unbound S-31 states determine the P-30(p, gamma) S-31 reaction rate, which has a significant impact on explosive hydrogen burning in classical novae and type-I x-ray bursts. Despite several previous studies, uncertainties still remain with respect to the nuclear structure of S-31 near the proton threshold. Purpose: The level structure of S-31 has been presently investigated via a charged-particle spectroscopy experiment using the S-32(p, d) S-31 reaction. Method: Deuterons corresponding to S-31 excited states with 3.285 <= E-x <= 10.8 MeV were momentum analyzed via an Enge split-pole spectrograph at six laboratory angles between 10 degrees and 62 degrees. Differential cross sections of the S-32(p, d)S-31 reaction were measured at E-p = 34.5 MeV. Distorted-wave Born approximation calculations were performed to constrain the spin-parity assignments of several of the observed levels. Results: We have detected 72 excited states of S-31, out of which 17 are within the astrophysical region of interest corresponding to the temperature range of 0.1-1.5 GK. We have resolved the discrepancy in the spin and parity of an excited state with E-x = 6542 keV, showing that is it not J(pi) = 3/2(-), and therefore the contribution of this state to the P-30(p, gamma) reaction rate is likely much less significant than previously thought owing to the larger angular-momentum transfer required to populate this excited state. Moreover, our measurement results help consolidate the spin-parity assignments for the 6377 and 6636 keV states in S-31. Conclusions: This work presents the most comprehensive spin-parity assignments to date from a single-neutron transfer reaction on S-32 to S-31 excited states in the region between 6 to 7 MeV excitation energy. This region is significant for the determination of the P-30(p, gamma)S-30 reaction rate over the temperatures characteristic of explosive hydrogen burning in novae.

Setoodehnia, K.↗
DOE OSTI2021

Using spin alignment of inelastically excited nuclei in fast beams to assign spins: The spectroscopy of 13 O as a test case

Excited states in O 13 were investigated using inelastic scattering of an E / A = 69.5 MeV O 13 beam off of a Be 9 target. The excited states were identified in the invariant-mass spectra of the decay products. Both single-proton and sequential two-proton decays of the excited states were examined. Furthermore, for a number of the excited states, the protons were emitted with strong anisotropy where emissions transverse to the beam axis are favored. The measured proton-decay angular distributions were compared to predictions from distorted-wave Born-approximation calculations of the spin alignment which was shown to be largely independent of the excitation mechanism. The deduced O 13 level scheme is compared to ab initio no-core shell model with continuum predictions. The lowest-energy excited states decay isotropically consistent with predictions of strong proton 1 s 1 / 2 structure. Above these states in the level scheme, we observed a number of higher-spin states not predicted within the model. Possibly these are associated with rotational bands built on deformed cluster configurations predicted by antisymmetrized molecular dynamics calculations. The spin alignment mechanism is shown to be useful for making spin assignments and may have widespread use.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2022

Experimental study of the isomeric state in 16 N using the 16 N$^{g,m}$($\textit{d}$, 3 He) reaction

Here, the isomeric state of 16 N was studied using the 16 N$^{g,m}$($\textit{d}$, 3 He) proton-removal reactions at 11.8 MeV/u in inverse kinematics. The 16 N beam, of which 24% was in the isomeric state, was produced using the Argonne Tandem-Linac Accelerator System (ATLAS) in-flight system and delivered to the Helical Orbit Spectrometer (HELIOS), which was used to analyze the 3 He ions from the ($\textit{d}$, 3 He) reactions. The simultaneous measurement of reactions on both the ground state and the isomeric states, reduced the systematic uncertainties from the experiment and in the analysis. A direct and reliable extraction of the relative spectroscopic factors was made based on a distorted-wave Born approximation approach. The experimental results suggest that the isomeric state of 16N is an excited neutron-halo state. The results can be understood through calculations using a Woods-Saxon potential model, which captures the effects of weak binding.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2022

Photoproduction of pion pairs at high energy and small angles

Here, we explore the photoproduction mechanisms for charged and neutral pion pairs off a heavy nucleus at threshold. We calculate the production of charged pairs in the Coulomb field of the nucleus in the Born approximation using explicit expressions for the differential cross sections and their connection with the total cross section σ(γγ→π + π - ). The production of σ mesons at threshold and their subsequent decay into pions is an important mechanism and is investigated quantitatively in a framework that can be used for both charged and neutral pions. σ mesons can be produced via electromagnetic (photon exchange) or strong (ω exchange) interactions. For neutral pions, another production mechanism consists of the two-step process where charged pions are produced first and then charge exchange into two neutral pions. Differential and total cross sections are computed for each production mechanism.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗