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DOE OSTI2020

Covariance Testing at BNL [Slides]

This presentation discusses testing implemented in FUDGE & ADVANCE in regard to proper ENDF formatting: STAN, STANEF, CHECKR, FUDGE, NJOY, convert to BOXR format, plotting, endfcovreport.py which is an overview of ENDF library’s covariance contents, and covariance Matrix class implements that are the core of all GNDS covariance. Several checks are performed, including symmetric, real, positive definite, condition # of Eigenvalues, and too big uncertainties. The presentation states that it can fix too big and/or small uncertainties and that it can plot matrices. It states that further testing is recommended by CSEWG but has not yet been implemented and suggests methods such as documentation which needs a human to execute, completeness which is partially complete, and reasonableness which has not been started. The presentation concludes by elaborating on reasonableness and states that only cross section is documented, that similar limits on CP reactions cross sections are needed, that maximum limits are needed too which is tricky since ENDF assumes Normal PDFs, and that there may be other observables.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

DOE OSTI2020

Estimate of Lorentz force effects on charged particles

Thermonuclear (TN) fusion reaction between deutrons are D + D → T + P D + D → 3 He + n where P is the proton, D is the deuteron, T is the triton, n is the neutron, and 3 He is the helion. They are born with high energies (0.82 MeV for 3 He, 1.01 MeV for T, 3.02 MeV for P, and 2.45 MeV for n). The charged particles slow down due to the drag force (stopping power). While slowing down, the charged particles deposit their energy, which may affect the TN burn characteristics. When magnetic field is present, the velocity of the charged particle would be affected due to the Lorentz force, which can affect the stopping of the charged particle. As a consequence, TN burn characteristics may change, Our purpose is to asses the importance of the Lorentz force in stopping of the charged particle, based on a simple comparison between the Lorentz force and stopping power.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2020

Trojan horse method as an indirect approach to study resonant reactions in nuclear astrophysics

The primary goal of the Trojan horse method (THM) is to analyze resonant rearrangement reactions when the density of the resonance levels is low and statistical models cannot be applied. The main difficulty of the analysis is related with the facts that in the final state the THM reaction involves three particles and that the intermediate particle, which is transferred from the Trojan horse particle to the target nucleus to form a resonance state, is virtual. Another difficulty is associated with the Coulomb interaction between the particles, especially, taking into account that the goal of the THM is to study resonant rearrangement reactions at very low energies important for nuclear astrophysics. The exact theory of such reactions with three charged particles is very complicated and is not available. This is why different approximations are used to analyze THM reactions. In this review paper we describe a new approach based on a few-body formalism that provides a solid basis for deriving the THM reaction amplitude taking into account rescattering of the particles in the initial, intermediate and final states of the THM reaction. Since the THM uses a two-step reaction in which the first step is the transfer reaction populating a resonance state, we address the theory of the transfer reactions. The theory is based on the surface-integral approach and R-matrix formalism. We also discuss application of the THM to resonant reactions populating both resonances located on the second energy sheet and subthreshold resonances, which are subthreshold bound states located at negative energies close to thresholds. We consider the application of the THM to determine the astrophysical factors of resonant radiative-capture reactions at energies so low that direct measurements can hardly be performed due to the negligibly small penetrability factor in the entry channel of the reaction. Here, we elucidated the main ideas of the THM and outline necessary conditions to perform the THM experiments.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2021

Gauge-symmetrization method for energy-momentum tensors in high-order electromagnetic field theories

For electromagnetic field theories, canonical energy-momentum conservation laws can be derived from the underpinning spacetime translation symmetry according to the Noether procedure. However, the canonical energy-momentum tensors (EMTs) are neither symmetric nor gauge-symmetric (gauge invariant). The Belinfante-Rosenfeld (BR) method is a well-known procedure to symmetrize the EMTs, which also renders them gauge symmetric for first-order field theories. High-order electromagnetic field theories appear in the study of gyrokinetic systems for magnetized plasmas and the Podolsky system for the radiation reaction of classical charged particles. For these high-order field theories, gauge-symmetric EMTs are not necessarily symmetric and vice versa. In the present study, we develop a new gauge-symmetrization method for EMTs in high-order electromagnetic field theories. The Noether procedure is carried out using the Faraday tensor $F_{μν}$, instead of the 4-potential $A_{μ}$, to derive a canonical EMT $T^{μν}_{N}$. We show that the gauge-dependent part of $T^{μν}_{N}$ can be removed using the displacement-potential tensor $F^{σμν}$ ≡ $D^{σμ}A^{ν}/4π$, where $D^{σμ}$ is the antisymmetric electric displacement tensor. This method gauge-symmetrizes the EMT without necessarily making it symmetric, which is adequate for applications not involving general relativity. For first-order electromagnetic field theories, such as the standard Maxwell system, $F^{σμν}$ reduces to the familiar BR superpotential $S^{σμν}$, and the method developed can be used as a simpler procedure to calculate $S^{σμν}$ without employing the angular momentum tensor in 4D spacetime. When the electromagnetic system is coupled to classical charged particles, the gauge-symmetrization method for EMTs is shown to be effective as well.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2023

Kinematics reconstruction in solenoidal spectrometers operated in active target mode

Here, we discuss the reconstruction of low-energy nuclear reaction kinematics from charged-particle tracks in solenoidal spectrometers working in Active Target Time Projection Chamber mode. In this operation mode, reaction products are tracked within the active gas medium of the Active Target with a three dimensional space point cloud. We have inferred the reaction kinematics from the point cloud using an algorithm based on a linear quadratic estimator (Kalman filter). The performance of this algorithm has been evaluated using experimental data from nuclear reactions measured with the Active Target Time Projection Chamber (AT-TPC) detector.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

DOE OSTI2024

Advancements in nuclear data evaluations in the unresolved resonance region [Slides]

Minimal updates to current capabilities (SAMMY/AMPX) and to the ENDF format are proposed to include threshold reaction for outgoing charged-particle channels in the URR formalism. If average resonance parameters are reported, probability tables for newly defined reactions channels may be needed, implemented, and tested. Nuclear data evaluation of n+ 35 Cl reactions can be considered the best case to apply the proposed updates.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

DOE OSTI2022

Investigating Particle Size‐Dependent Redox Kinetics and Charge Distribution in Disordered Rocksalt Cathodes

Abstract Understanding how various redox activities evolve and distribute in disordered rocksalt oxides (DRX) can advance insights into manipulating materials properties for achieving stable, high‐energy batteries. Herein, the authors present how the reaction kinetics and spatial distribution of redox activities are governed by the particle size of DRX materials. The size‐dependent electrochemical performance is attributed to the distinct cationic and anionic reaction kinetics at different sizes, which can be tailored to achieve optimal capacity and stability. Overall, the local charged domains in DRX particles display random heterogeneity caused by the isotropic delithiation pathways. Owing to the kinetic limitation, the micron‐sized particles exhibit a holistic “core‐shell” charge distribution, whereas sub‐micron particles show more uniform redox reactions throughout the particles and ensembles. Sub‐micron DRX particles exhibit increasing anionic redox activities yet inferior cycling stability. In summary, engineering particle size can effectively modulate how cationic and anionic redox activities evolve and distribute in DRX materials.

36 MATERIALS SCIENCE↗

DOE OSTI2024

Towards modelling AR Sco: generalized particle dynamics and strong radiation-reaction regimes

Numerical simulations of relativistic plasmas have become more feasible, popular, and crucial for various astrophysical sources with the availability of computational resources. The necessity for high-accuracy particle dynamics is especially highlighted in pulsar modelling due to the extreme associated electromagnetic fields and particle Lorentz factors. Including the radiation-reaction force in the particle dynamics adds even more complexity to the problem, but is crucial for such extreme astrophysical sources. We have also realized the need for such modelling concerning magnetic mirroring and particle injection models proposed for AR Sco, the first white dwarf pulsar. This paper demonstrates the benefits of using higher-order explicit numerical integrators with adaptive time-step methods to solve the full particle dynamics with radiation-reaction forces included. We show that for standard test scenarios, namely various combinations of uniform E- and B-fields and a static dipole B-field, the schemes we use are equivalent to and in extreme field cases outperform standard symplectic integrators in accuracy. We show that the higher-order schemes have massive computational time improvements due to the adaptive time-steps we implement, especially in non-uniform field scenarios and included radiation reaction where the particle gyro-radius rapidly changes. When balancing accuracy and computational time, we identified the adaptive Dormand–Prince eighth-order scheme to be ideal for our use cases. The schemes we use maintain accuracy and stability in describing the particle dynamics and we indicate how a charged particle enters radiation-reaction equilibrium and conforms to the analytical Aristotelian Electrodynamics expectations.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2020

Charging Reactions Promoted by Geometrically Necessary Dislocations in Battery Materials Revealed by In Situ Single-Particle Synchrotron Measurements

Crystallographic defects exist in many redox active energy materials, e.g., battery and catalyst materials, which significantly alter their chemical properties for energy storage and conversion. However, there is lack of quantitative understanding of the interrelationship between crystallographic defects and redox reactions. Herein, crystallographic defects, such as geometrically necessary dislocations, are reported to influence the redox reactions in battery particles through single-particle, multimodal, and in situ synchrotron measurements. Through Laue X-ray microdiffraction, many crystallographic defects are spatially identified and statistically quantified from a large quantity of diffraction patterns in many layered oxide particles, including geometrically necessary dislocations, tilt boundaries, and mixed defects. The in situ and ex situ measurements, combining microdiffraction and X-ray spectroscopy imaging, reveal that LiCoO 2 particles with a higher concentration of geometrically necessary dislocations provide deeper charging reactions, indicating that dislocations may facilitate redox reactions in layered oxides during initial charging. The present study illustrates that a precise control of crystallographic defects and their distribution can potentially promote and homogenize redox reactions in battery materials.

25 ENERGY STORAGE↗

DOE OSTI2023

A Primer on Nuclear "Recoil" Data

For many years the ENDF-6 format has existed to contain evaluated nuclear data. One primary driver for the format and the data is neutron transport calculations. Evaluated data can be processed by a code like NJOY into either continuous energy form (ACE format) for Monte Carlo codes like MCNP or into multi-group form (NDI tables) for deterministic codes like Partisn. The reaction cross sections are found in the MF 3 section of the ENDF-6 format. If the reaction produces one or more neutrons as outputs, then secondary neutron data must also be given in MF 4,5 or 6 sections of the format. Energy and angular distributions for the output neutrons must be given in one of several available formats. The most general formats are found in MF 6. MF 4 is for angular distributions, MF 5 is for Energy distributions, and MF 6 contains both. In recent years, more interest has developed in the other output particles (i.e., the “recoil” particles) from neutron induced reactions. This has been driven by interest in charged particle transport and in more specialized partial kermas. ( A separate total neutron kerma has been available for a long time.) Partial kermas are a breakdown of the Kinetic Energy Released into the MAterial by output particle or by neutron reaction. The sum of the partial kermas should be equal to the total kerma on a group-wise basis. The ENDF-6 format is general enough for these new data requirements. Ideally, evaluated data would exist for every output particle (including the secondary neutrons) from every neutron-induced reaction. In the MF 6 format section, data for multi-particle outputs may be entered using the LAW =1 option. This option explicitly allows energy and angular output distributions for each particle produced in the reaction. Such information should preserve the balance between partial kermas and the total kerma at the groupwise level as well as the individual particle averaged energies. For simpler 2-body reactions, LAW = 2 is available. This allows the evaluation to specify only enough data to specify the 2-body reaction fully. Such a simplification does not exist for 3 (or more) body breakups. A simplified form of LAW 2, i.e., LAW 3, also exists to generate approximate recoil output distributions in the absence of full data. However, evaluated data does not generally exist at this fine granularity for reactions involving more than 2 output particles ( e.g., the 3-body break-up reaction). When the multi-body detailed output distribution data is not available, LAW=6 may be employed in NJOY. LAW 6 produces approximate output distributions for all the particles produced in the reaction. Just like in the 2-body case, the smaller particles will generally carry off more energy. At any particular energy, the balance between the sum of the partial kermas and the total kerma will not necessarily be preserved. However, the average energy of each output particle from a reaction is preserved.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

DOE OSTI2023

Editorial: Using high energy density plasmas for nuclear experiments relevant to nuclear astrophysics

Thermonuclear reaction rates and nuclear processes have traditionally been explored by means of accelerator experiments, which are difficult to execute at conditions relevant to nucleosynthesis. High energy density (HED) plasmas generated using lasers, such as the inertial confinement fusion (ICF) platform, more closely mimic astrophysical environments in several ways, including with thermal distributions of reacting ions as opposed to mono-energetic ions impinging on a cold target; stellar-relevant plasma temperatures and densities; and neutron flux densities not found anywhere else on earth. The most extreme conditions can currently be achieved at the National Ignition Facility (NIF) laser in the US, where densities of 10 3 g/cm 3 and neutron fluxes up to 5∙10 27 neutrons/cm/s have been demonstrated over a time period of a few tens of picoseconds. The HED platform is emerging as an interesting complement to accelerator experiments.

charged-particle-induced reactions↗

DOE OSTI2023

Templates of expected measurement uncertainties

The covariance committee of CSEWG (Cross Section Evaluation Working Group) established templates of expected measurement uncertainties for neutron-induced total, (n,γ), neutron-induced charged-particle, and (n,xn) reaction cross sections as well as prompt fission neutron spectra, average prompt and total fission neutron multiplicities, and fission yields. Templates provide a list of what uncertainty sources are expected for each measurement type and observable, and suggest typical ranges of these uncertainties and correlations based on a survey of experimental data, associated literature, and feedback from experimenters. Information needed to faithfully include the experimental data in the nuclear-data evaluation process is also provided. These templates could assist (a) experimenters and EXFOR compilers in delivering more complete uncertainties and measurement information relevant for evaluations of new experimental data, and (b) evaluators in achieving a more comprehensive uncertainty quantification for evaluation purposes. This effort might ultimately lead to more realistic evaluated covariances for nuclear-data applications. In this topical issue, we cover the templates coming out of this CSEWG effort–typically, one observable per paper. This paper here prefaces this topical issue by introducing the concept and mathematical framework of templates, discussing potential use cases, and giving an example of how they can be applied (estimating missing experimental uncertainties of 235 U(n,f) average prompt fission neutron multiplicities), and their impact on nuclear-data evaluations.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

DOE OSTI2021

Nonequilibrium information entropy approach to ternary fission of actinides

Ternary fission of actinides probes the state of the nucleus at scission. Light clusters are produced in space and time very close to the scission point. Within the nonequilibrium statistical operator method, a generalized Gibbs distribution is constructed from the information given by the observed yields of isotopes. Using this relevant statistical operator, yields are calculated taking excited states and continuum correlations into account, in accordance with the virial expansion of the equation of state. Furthermore, clusters with mass number A≤10 are well described using the nonequilibrium generalizations of temperature and chemical potentials. Improving the virial expansion, in-medium effects may become of importance in determining the contribution of weakly bound states and continuum correlations to the intrinsic partition function. Yields of larger clusters, which fail to reach this quasiequilibrium form of the relevant distribution, are described by nucleation kinetics, and a saddle-to-scission relaxation time of about 7000 fm/c is inferred. Light-charged particle emission, described by reaction kinetics and virial expansions, may therefore be regarded as a very important tool to probe the nonequilibrium time evolution of actinide nuclei during fission.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

DOE OSTI2022

Effective field theory of pairing rotations

Pairing rotations are the low-energy excitations of finite superfluid systems, connecting systems that differ in their number of Cooper pairs. This paper presents a model-independent derivation of pairing rotations within an effective theory that exploits the emergent breaking of U(1) phase symmetries. The symmetries are realized nonlinearly and the Nambu-Goldstone modes depend only on time because the system is finite. Semimagic nuclei exhibit pairing rotational bands while the pairing spectrum becomes an elliptical paraboloid for open-shell nuclei. Model-independent relations between double charge-exchange reactions and α particle capture or knockout in open-shell nuclei are in analogy to the pair transfer reactions in a single superfluid. Odd semimagic nuclei are described by coupling a fermion to the superfluid. Furthermore, the leading-order theories reproduce data for pairing rotational bands within uncertainty estimates.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

DOE OSTI2025

New charged-particle transport computational capability: the SIT code An L-4 milestone

We have developed a new high-fidelity code for direct transport of charged particles using the simple integral transport method. The code can be coupled to the outputs of any hydrodynamical simulation code in 1-D, 2-D or 3-D. In this report we summarize the formalism involved in treating complex transport problems. We present physical examples wherein we have used the code to calculate the transport of alpha particles. Future work is planned to study the sensitivity of hydrodynamical mix to charged-particle radiochemistry and reaction-in-flight neutrons for the complex inertial confinement fusion problems encountered at NIF and at the Z-machine.

38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEA↗

DOE OSTI2022

Installation of a solid state neutral particle analyzer array on mega ampere spherical tokamak upgrade

A compact solid state neutral particle analyzer (SSNPA) diagnostic, previously installed at NSTX-U, has been moved to MAST-U and successfully operated in the first physics campaign (MU01). The SSNPA operates by detecting the flux of fast neutral particles produced by charge exchange (CX) reactions to diagnose the fast ion distribution. The diagnostic consists of three 16-channel sensors, which provide a radial view of the plasma and have a sightline intersection with the South–South neutral beam line. From this radial geometry, active CX signals from mostly trapped particles are observed. Each channel has a spatial resolution of 3–4 cm, a temporal resolution of 200 kHz, and an average pitch angle resolution of a few degrees. The three-sensor configuration allows for coarse energy resolution of the CX signals; each sensor sees similar sightlines but different filter thicknesses alter the energy cutoffs by known amounts. Experimental data show that all channels are collecting data as intended. The signal to noise ratio is typically around 15. Preliminary data analysis shows a correlation between the SSNPA signal and magnetohydrodynamic activity in the plasma as expected.

Instruments & Instrumentation↗

DOE OSTI2020

Measurement of the central exclusive production of charged particle pairs in proton-proton collisions at $\sqrt{s}$ = 200 GeV with the STAR detector at RHIC

We report on the measurement of the Central Exclusive Production of charged particle pairs h+h- (h = π, K, p) with the STAR detector at RHIC in proton-proton collisions at $\sqrt{s}$ = 200 GeV. The charged particle pairs produced in the reaction pp → p' + h + h - + p' are reconstructed from the tracks in the central detector and identified using the specific energy loss and the time of flight method, while the forward-scattered protons are measured in the Roman Pot system. Exclusivity of the event is guaranteed by requiring the transverse momentum balance of all four final-state particles. Differential cross sections are measured as functions of observables related to the central hadronic final state and to the forward-scattered protons. They are measured in a fiducial region corresponding to the acceptance of the STAR detector and determined by the central particles’ transverse momenta and pseudorapidities as well as by the forward-scattered protons’ momenta. This fiducial region roughly corresponds to the square of the four-momentum transfers at the proton vertices in the range 0.04 GeV 2 < -t 1 , -t 2 < 0.2 GeV 2 , invariant masses of the charged particle pairs up to a few GeV and pseudorapidities of the centrally-produced hadrons in the range |η| < 0.7. The measured cross sections are compared to phenomenological predictions based on the Double Pomeron Exchange (DPE) model. Structures observed in the mass spectra of π + π - and K + K - pairs are consistent with the DPE model, while angular distributions of pions suggest a dominant spin-0 contribution to π + π - production. For π + π - production, the fiducial cross section is extrapolated to the Lorentz-invariant region, which allows decomposition of the invariant mass spectrum into continuum and resonant contributions. The extrapolated cross section is well described by the continuum production and at least three resonances, the f 0 (980), f 2 (1270) and f 0 (1500), with a possible small contribution from the f 0 (1370). Fits to the extrapolated differential cross section as a function of t 1 and t 2 enable extraction of the exponential slope parameters in several bins of the invariant mass of π + π - pairs. These parameters are sensitive to the size of the interaction region.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

DOE OSTI2026

Direct cross section measurement of 102 Pd ⁢(𝛾,𝑝) and 102 Pd ⁢(𝛾,𝛼) for the astrophysical 𝑝 process

Background: A handful of neutron-deficient stable nuclei, known as the “p nuclei,” cannot be produced through astrophysical neutron capture processes. Instead, some of these nuclei are proposed to be produced by 𝛾-induced reactions on existing r- and s-process seeds. The specific astrophysical site or sites are not yet identified, however, with uncertainties in the cross sections of these 𝛾-induced reactions playing a role. Databases of reaction rates for astrophysical simulations often rely on theoretical statistical model calculations, such as Hauser-Feshbach, for rates where no experimental information is known. However, reasonable variations in the choice of parametrizations of various nuclear properties can create order-of-magnitude variations in the final predicted cross sections and reaction rates, which are then propagated through the models to the predicted final abundances. Purpose: To better constrain these statistical model calculations and ultimately reduce the uncertainties from the nuclear physics on our understanding of the p nuclei, a measurement of the cross sections of 𝛾-induced reactions on the p-nucleus 102 Pd was undertaken. This work represents the first measurement of its kind, using segmented silicon detectors to measure prompt charged particle emission from 𝛾-induced reactions. Methods: Quasimonoenergetic gamma beams from the High Intensity 𝛾 Source facility bombarded an enriched 102 Pd target. A segmented silicon array was arranged to detect the particles emitted from (𝛾,𝑝) and (𝛾,𝛼) reactions. Results: Reaction cross sections were deduced at multiple 𝛾-beam energies between 10 and 19 MeV, and compared to statistical model calculations using talys-1.96. The 102 Pd ⁢(𝛾,𝑝)⁢ 101 Rh reaction cross section was reasonably well reproduced by a subset of photon strength functions and level densities, though the strength to the ground state of 101 Rh was underestimated at higher incident gamma energies. The 102 Pd ⁢(𝛾,𝛼)⁢ 98 Ru was in general overpredicted by the various alpha-nucleus optical model potentials. Conclusions: While the theoretical cross sections used to model the (𝛾,𝑝) reactions for the p process may be reasonable, a more careful approach is needed in the case of (𝛾,𝛼). Further work to probe gamma-induced reaction cross sections at and near the p nuclei is warranted.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗