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All sourcesNASA NTRSDOE OSTI
NASA NTRS1982

Harmonic well matter densities and Pauli correlation effects in heavy-ion collisions

A generalized optical model heavy ion reaction theory is extended to include correlation effects between projectile and target constituents according to the Pauli exclusion principle. These correlation effects are significant for accurately predicting cross sections for projectile nucleus abrasions, but are relatively unimportant for determining total and absorption cross sections for heavy ion collisions. For lighter nuclei, predictive capabilities were also improved by developing an analytic method for extracting their nuclear single particle density distributions from experimentally measured harmonic well charge density distributions. This improved theory is compared with previous theoretical predictions and recent experimental results.

Townsend, L. W.↗
DOE OSTI2020

Microscopic predictions for the production of neutron-rich nuclei in the reaction Yb 176 + Yb 176

Background: Production of neutron-rich nuclei is of vital importance to both understanding nuclear structure far from stability and to informing astrophysical models of the rapid neutron capture process (r-process). Multinucleon transfer (MNT) in heavy-ion collisions offers a possibility to produce neutron-rich nuclei far from stability. Purpose: The 176 Yb + 176 Yb reaction has been suggested as a potential candidate to explore the neutron-rich region surrounding the principal fragments. The current study has been conducted with the goal of providing guidance for future experiments wishing to study this (or similar) system. Methods: Time-dependent Hartree-Fock (TDHF) and its time-dependent random-phase approximation (TDRPA) extension are used to examine both scattering and MNT characteristics in 176 Yb + 176 Yb. TDRPA calculations are performed to compute fluctuations and correlations of the neutron and proton numbers, allowing for estimates of primary fragment production probabilities. Results: Both scattering results from TDHF and transfer results from the TDRPA are presented for different energies, orvientations, and impact parameters. In addition to fragment composition, scattering angles and total kinetic energies, as well as correlations between these observables are presented. Conclusions: 176 Yb + 176 Yb appears to be an interesting probe for the midmass neutron-rich region of the chart of nuclides. Lastly, the predictions of both TDHF and TDRPA are speculative, and will benefit from future experimental results to test the validity of this approach to studying MNT in heavy, symmetric collisions.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2021

Reevaluation of the 22 Ne(α,γ) 26 Mg and 22 Ne(α,n) 25 Mg reaction rates

The competing 22 Ne(α, γ) 26 Mg and 22 Ne(α,n) 25 Mg reactions control the production of neutrons for the weak s process in massive and asymptotic giant branch (AGB) stars. In both systems, the ratio between the corresponding reaction rates strongly impacts the total neutron budget and strongly influences the final nucleosynthesis. A number of experimental studies have been performed over recent years which necessitate the reevaluation of the 26 Mg and 22 Ne(α, γ) 25 Mg reactions control the production 26 Mg and 22 Ne(α, n) 25 Mg reaction rates. Evaluations of the reaction rates following the collection of new nuclear data presently show differences of up to a factor of 500, resulting in considerable uncertainty in the resulting nucleosynthesis. To reevaluate the 22 Ne(α, γ) 26 Mg and 22 Ne(α,n) 25 Mg reaction rates using updated nuclear data from a number of sources including updating spin and parity assignments. With updated spin and parity assignments, the levels which can contribute to the reaction rates are identified. The reaction rates are computed using a Monte Carlo method which has been used for previous evaluations of the reaction rates in order to focus solely on the changes due to modified nuclear data. The evaluated 22 Ne(α, γ) 26 Mg reaction rate remains substantially similar to that of Longland et al. but, including recent results from Texas A&M, the 22 Ne(α, n) 25 Mg reaction rate is lower at a range of astrophysically important temperatures. Stellar models computed with newton and mesa predict decreased production of the weak branch s process due to the decreased efficiency of 22 Ne as a neutron source. Using the new reaction rates in the mesa model results in 96 Zr / 94 Zr and 135 Ba / 136 Ba ratios in much better agreement with the measured ratios from presolar SiC grains. The 22 Ne + α reaction rates 22 Ne(α, γ) 26 Mg and 22 Ne(α, n) 25 Mg have been recalculated based on more recent nuclear data. The 22 Ne(α, γ) 26 Mg reaction rate remains substantially unchanged since the previous evaluation but the 22 Ne(α, γ) 25 Mg reaction rate is substantially decreased due to updated nuclear data. This results in significant changes to the nucleosynthesis in the weak branch of the s process.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
NASA NTRS2010

Pion Production Data Needed for Space Radiation

A recent discovery concerning the importance of hadron production in space radiation is that pions can contribute up to twenty percent of the dose from galactic cosmic ray interactions (S. Aghara, S. Blattnig, J. Norbury, R. Singleterry, Nuclear Instruments and Methods, Vol. 267, 2009, p. 1115). Although the contribution for dose equivalent will be smaller, the dose contribution could be important for fluence based radiation models. Pion production cross sections will be an essential ingredient to such models, and it is of interest to investigate the adequacy of the pion production experimental data base for energies relevant to space radiation. The pion production threshold in nucleon - nucleon reactions is at 280 MeV and, in an interesting accident of nature, this lies near the peak of the galactic cosmic ray proton spectrum. Therefore, pion production data are needed from threshold up to energies around 50 GeV/nucleon, where the galactic cosmic ray fluence is of decreasing importance. Total and differential cross section data for pion production in this energy range will be reviewed. The availability and accuracy of theoretical models will also be discussed. It will be shown that there are a significant lack of data in this important energy range and that theoretical models still need improvement.

Norbury, John W.↗
DOE OSTI2021

Practical Effects of Integrating Temperature with Strang Split Reactions

For astrophysical reacting flows, operator splitting is commonly used to couple hydrodynamics and reactions. Each process operates independent of one another, but by staggering the updates in a symmetric fashion (via Strang splitting) second order accuracy in time can be achieved. However, approximations are often made to the reacting system, including the choice of whether or not to integrate temperature with the species. Here we demonstrate through a simple convergence test that integrating an energy equation together with reactions achieves the best convergence when modeling reactive flows with Strang splitting. Additionally, second order convergence cannot be achieved without integrating an energy or temperature equation.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2024

An Assessment of the Safeguards Implications of Particle and Alloy Formation in MSRs

Molten salt reactors (MSRs) present unique challenges for applying safeguards measures and differ significantly from traditional nuclear reactors. Although the special fissionable materials within MSRs principally exist as dissolved species within the fuel salt, key actinides of interest may also be converted to solid phases including alloys and precipitated oxides via chemical and electrochemical reactions. These solid-phase components will complicate the nuclear material accounting and control (NMAC) approaches that have, so far, primarily targeted measurements of the liquid salt itself. For example, most of the proposed monitoring and characterization methods for MSRs are reliant on homogeneity of the salt and the ability to maintain accountable materials in solution. Solid deposits and particulates could invalidate the assumption of homogeneity and necessitate the use of new models and measurement tools to permit a full accounting of all nuclear material in an MSR. To address this, the likelihood of solids formation in MSRs, estimated the rate at which these solids could form, and assessed the monitoring tools that are available to account for the presence of these materials were examined. Specifically, three solid forming mechanisms were investigated, including (1) the accumulation of actinides within the MSR’s structural materials due to alloying, (2) the accumulation of actinides within noble metal fission product particulates, and (3) the generation of actinide oxides from interactions with salt impurities. These modeling-informed studies were completed with considerations to both fluoride- and chloride-containing salts. It was determined that, although measurable amounts of special fissionable material were expected to alloy with the structural elements and fission products, the predicted amounts were below levels considered as significant quantities (SQ) by the International Atomic Energy Agency (IAEA). However, it was determined that sufficiently large oxygen concentrations could potentially lead to significant quantities of special fissionable material being converted to solid oxide phases. As such, a comparative study of technologies that are commercially available to assist in monitoring and accountancy of this material was presented. Policy implications, design recommendations, and suggestions for follow-on experimental work were also presented to further assist reactor vendors in designing and controlling the fuel salt chemistry to address potential safeguards considerations.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2022

MISPR : an open-source package for high-throughput multiscale molecular simulations

Computational tools provide a unique opportunity to study and design optimal materials by enhancing our ability to comprehend the connections between their atomistic structure and functional properties. However, designing materials with tailored functionalities is complicated due to the necessity to integrate various computational-chemistry software (not necessarily compatible with one another), the heterogeneous nature of the generated data, and the need to explore vast chemical and parameter spaces. The latter is especially important to avoid bias in scattered data points-based models and derive statistical trends only accessible by systematic datasets. Here, we introduce a robust high-throughput multi-scale computational infrastructure coined MISPR (Materials Informatics for Structure–Property Relationships) that seamlessly integrates classical molecular dynamics (MD) simulations with density functional theory (DFT). By enabling high-performance data analytics and coupling between different methods and scales, MISPR addresses critical challenges arising from the needs of automated workflow management and data provenance recording. The major features of MISPR include automated DFT and MD simulations, error handling, derivation of molecular and ensemble properties, and creation of output databases that organize results from individual calculations to enable reproducibility and transparency. In this work, we describe fully automated DFT workflows implemented in MISPR to compute various properties such as nuclear magnetic resonance chemical shift, binding energy, bond dissociation energy, and redox potential with support for multiple methods such as electron transfer and proton-coupled electron transfer reactions. The infrastructure also enables the characterization of large-scale ensemble properties by providing MD workflows that calculate a wide range of structural and dynamical properties in liquid solutions. MISPR employs the methodologies of materials informatics to facilitate understanding and prediction of phenomenological structure–property relationships, which are crucial to designing novel optimal materials for numerous scientific applications and engineering technologies.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Establishing the Maximum Collectivity in Highly Deformed N = Z Nuclei

The lifetimes of the first excited 2 + states in the N = Z nuclei 80 Zr, 78 Y, and 76 Sr have been measured using the γ-ray line shape method following population via nucleon-knockout reactions from intermediate-energy rare-isotope beams. The extracted reduced electromagnetic transition strengths yield new information on where the collectivity is maximized and provide evidence for a significant, and as yet unexplained, odd-odd vs even-even staggering in the observed values. As a result, the experimental results are analyzed in the context of state-of-the-art nuclear density-functional model calculations.

59 ≤ A ≤ 89↗
DOE OSTI2020

Search for Dark Matter Induced Deexcitation of 180 Ta m

Weak-scale dark matter particles, in collisions with nuclei, can mediate transitions between different nuclear energy levels. In particular, owing to sizeable momentum exchange, dark matter particles can enable de-excitation of nuclear isomers that are extremely long lived with respect to regular radioactive decays. In this paper, we utilize data from a past experiment with 180 Ta m to search for γ-lines that would accompany dark matter induced de-excitation of this isomer. Non-observation of such transitions above background yields the first direct constraint on the lifetime of 180 Ta m against DM-initiated transitions: T 1/2 > 1.3 × 10 14 a at 90% C.I. Using this result, we derive novel constraints on dark matter models with strongly interacting relics, and on models with inelastic dark matter particles. Existing constraints are strengthened by this independent new method. As a result, the obtained limits are also valid for the Standard Model γ-decay of 180 Ta m .

150 ≤ A ≤ 189↗
DOE OSTI2023

Search for an s -wave resonance in Li 7 just above the proton-decay threshold

Near-threshold resonances play an important role in nucleosynthesis and applied nuclear science. The study of nuclei removed from stability has greatly extended the list of resonances close to decay thresholds. The no core shell model with continuum (NCSMC) recently predicted an s-wave resonance just above the proton-decay threshold of 7 Li at an excitation energy of 10.2 MeV. This potential case of a near-threshold resonance is dependent on the quantum mechanics of the p + 6 He fragments extended into the continuum. Further, the 6 He(d,n) 7 Li* reaction was employed in an attempt to populate this resonance and search for its proton decay via the invariant-mass method. No evidence of this resonance was found. However, the data collected in this search led to better constraints on the energy and width of the isobaric analog state (IAS) with (J π ,T) = (3/2 - , 3/2) and revealed a new weak resonance just above the IAS in energy, predicted by the NCSMC as a (J π , T ) = (3/2 – , 1/2) state and potentially a part of the antianalog structure.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2021

Entanglement rearrangement in self-consistent nuclear structure calculations

Background: Entanglement plays a central role in a diverse array of increasingly important research areas, including quantum computation, simulation, measurement, sensing, and communication. Extensive suites of investigations have been performed to better understand entanglement in atomic and molecular quantum many-body systems, while the exploration of entanglement in the structure of nuclei and their reactions is presently in its infancy. Purpose: The goal of this work is to begin investigating the entanglement properties of nuclei from first-principles nuclear many-body calculations. We attempt to identify common features and emergent structures of entanglement that could ultimately lead to new and natural many-body schemes. With an eye toward quantum accelerators in future hybrid-supercomputers, criteria for partitioning nuclear many-body calculations into quantum and classical components may provide advantages in future large-scale computations. Along the way we look for explanations of the relative success of phenomenological models such as the nuclear shell model, and for better ways to match to low-energy nuclear effective field theories and lattice QCD calculations to nuclear many-body techniques that are based upon entanglement. Method: We explore the entanglement between single-particle states in 4 He and 6 He. The patterns of entanglement emerging from different single-particle bases are compared, and possible links with the convergence of observables are explored, in particular, ground-state energies. The nuclear wave functions are obtained by performing active-space no-core configuration-interaction calculations using a two-body nucleon-nucleon interaction derived from chiral effective field theory. Entanglement measures within single-particle bases exhibiting different degrees of complexity are determined, in particular, harmonic oscillator (HO), Hartree-Fock (HF), natural (NAT) and variational natural (VNAT) bases. Specifically, single-orbital entanglement entropy, two-orbital mutual information, and negativity are studied. Results: The entanglement structures in 4 He and 6 He are found to be more localized within NAT and VNAT bases than within a HO basis for the optimal HO parameters we have worked with. In particular a core-valence structure clearly emerges from the full no-core calculation of 6 He. Here, the two-nucleon mutual information shows that the VNAT basis, which typically exhibits good convergence properties, effectively decouples the active and inactive spaces. Conclusions: Measures of one- and two-nucleon entanglement are found to be useful in analyzing the structure of nuclear wave functions, in particular the efficacy of basis states, and may provide useful metrics toward developing more efficient schemes for ab initio computations of the structure and reactions of nuclei, and quantum many-body systems more generally.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
NASA NTRS1992

Ground-based measurements of galactic cosmic ray fragmentation in shielding

The mean free path for nuclear interactions of galactic cosmic-rays is comparable to shielding and tissue thicknesses present in human interplanetary exploration, resulting in a significant fraction of nuclear reaction products at depth. In order to characterize the radiation field, the energy spectrum, the angular distribution, and the multiplicity of each type of secondary particles must also be known as a function of depth. Reactions can take place anywhere in a thick absorber; therefore, it is necessary to know these quantities as a function of particle energy for all particles produced. HZE transport methods are used to predict the radiation field; they are dependent on models of the interaction of man-made systems with the space environment to an even greater extent than methods used for other types of radiation. Hence, there is a major need to validate these transport codes by comparison with experimental data. The most cost-effective method of validation is a comparison with ground-based experimental measurements. A research program to provide such validation measurements using neon, iron and other accelerated heavy ion beams will be discussed and illustrated using results from ongoing experiments and their comparison with current transport codes. The extent to which physical measurements yield radiobiological predictions will be discussed.

NASA Discipline Radiation Health↗
NASA NTRS1995

Multiplicities of secondaries in interactions of 1.8 GeV/nucleon Fe-56 nuclei with photoemulsion and the cascade evaporation model

A nuclear photographic emulsion method was used to study the charge-state, ionization, and angular characteristics of secondaries produced in inelastic interactions of Fe-56 nuclei at 1.8 GeV/nucleon with H, CNO, and AgBr nuclei. The data obtained are compared with the results of calculations made in terms of the Dubna version of the cascade evaporation model (DCM). The DCM has been shown to satisfactorily describe most of the interaction characteristics for two nuclei in the studied reactions. At the same time, quantitative differences are observed in some cases.

Dudkin, V. E↗
DOE OSTI2020

Calculation of Critical Heat Flux Using an Inverse Heat Transfer Method to Support TREAT Experiment Analysis

Heat transfer between cladding and coolant during transient scenarios remains a critical area of uncertainty in understanding nuclear reactor safety. To advance the understanding of transient and accident scenarios involving critical heat flux (CHF), an in-pile experiment for the Transient Reactor Test (TREAT) facility at Idaho National Laboratory was developed. The experiment named CHF-Static Environment Rodlet Transient Test Apparatus (CHF-SERTTA), consists of a hollow borated stainless steel heater rod submerged in a static water pool which is heated via the (n, a) reaction in boron-10. This paper presents a novel inverse heat transfer method to determine CHF by using the optimization and uncertainty software DAKOTA to calibrate a RELAP5-3D model of CHF-SERTTA to temperature measurements obtained from a thermocouple welded to the surface of the rod.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
NASA NTRS2000

Scientific Objectives of the Mars Surveyor 2001 Gamma-Ray Spectrometer

The Gamma-Ray Spectrometer (GRS) is one of the instruments on the Mars Surveyor 2001 Orbiter, which is part of NASA's Mars-Surveyor program. The GRS is really an instrument suite consisting of the GRS, a neutron spectrometer (NS), and a high-energy neutron detector (FIEND). Each of these instruments/sensors are remotely mounted at different locations on the spacecraft and connect to a central electronics box. The GRS will achieve global mapping of the elemental composition of the surface and the abundance of hydrogen in the shallow subsurface. It is an updated design using the same technology as the lost Mars Observer mission. The Martian surface is continuously bombarded by cosmic ray particles; their interactions with the constituents of the soil produces nuclear reaction cascades with fast neutrons being the main secondaries. Those neutrons interact in turn with the nuclei of the elements that make up the soil and they eventually get slowed to thermal energies. In this process they leave the nuclei in an excited state that decays via the emission of characteristic gamma rays. All these processes are precisely known and have been simulated by means of numerical models. Thus, remote gamma-ray spectroscopy is a useful method for quantitatively measuring the geochemical composition of the surface down to a few tens of g/sq cm. Additional information is contained in original extended abstract.

Boynton, W. V.↗
DOE OSTI2023

Ab initio single-neutron spectroscopic overlaps in lithium isotopes

We calculate single-neutron spectroscopic overlaps for lithium isotopes in the framework of the ab initio symmetry-adapted no-core shell model. We report the associated neutron-nucleus asymptotic normalization coefficients (ANCs) and spectroscopic factors (SFs) that are important ingredients in many reaction cross-section calculations. While spectroscopic factors have been traditionally extracted from experimental cross sections, their sensitivity on the type of reactions, the energy, and the underlying models point to the need for determining SFs from first-principle structure considerations. As illustrative examples, we present 6 Li + n, 7 Li ⁢+ n, and 8 Li ⁢+ n, and we show that the results are in a good agreement with those of other ab initio methods, where available, including the quantum Monte Carlo approach. Here, we compare ANCs and SFs to available experimentally deduced values, with a view toward expanding this study to heavier nuclei and to extracting intercluster effective interactions for input into analyses of existing and future experimental data.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2021

Prospects for Surrogate Neutron Capture Measurements with Radioactive Ion Beams and GODDESS

Neutron capture reactions are responsible for the synthesis of almost all of the elements heavier than iron through the slow s-process, that proceeds close to the line of stability, and the rapid r-process, with very neutron-rich waiting points. Uncertainties in (n,γ) rates in neutron rich nuclei, especially near closed neu- tron shells, can have significant impact [1] on the predictions of final abundances for different astrophysical scenarios for the r process. Understanding (n,γ) rates on neutron-rich fission fragments is also important for nuclear forensics and stockpile stewardship science. Ratkiewicz et al. [2 and references therein] has recently demonstrated that the (d,pγ) reaction is a valid surrogate for (n,γ), where the formation of the compound nucleus from the breakup of the deuteron has been calculated in a reaction model and the subsequent measured gamma-decay probabilities are reproduced with standard level density and strength functions in a Bayesian approach. In parallel to the surrogate validation efforts, we have demonstrated that the (d,pγ) reaction can be measured in inverse kinematics with Gammasphere ORRUBA: Dual Detectors for Experimental Structure Studies (GODDESS) [3] where the Gammasphere array of Compton-suppressed HPGe detectors is coupled to the Oak Ridge Rutgers University Barrel Array of position-sensitive silicon strip detectors. During the commissioning campaign we measured the (d,pγ) reaction with 134 Xe and 95 Mo beams, the latter to demonstrate the surrogate method in inverse kinematics. The present talk will present preliminary results from this campaign including γ-decay probabilities and prospects for surrogate (n,γ) measurements with 143 Ba fission-fragment beams.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2023

Determination of energy-dependent neutron backgrounds using shadow bars

Understanding the neutron background is essential for determining the neutron yield from nuclear reactions. Here, the neutron backgrounds were determined for heavy-ion collision experiment using the shadow-bar method, where beams of 40,48 Ca at 56, 140 MeV/u impinged on targets of 58,64 Ni and 112,124 Sn. In the analysis presented here, brass shadow bars are placed in front of organic liquid scintillator neutron detectors to determine the energy-dependent neutron background fractions. The measurement of neutron spectra with and without shadow bars is important to determine the neutron background more accurately. The neutron background, along with its sources and systematic uncertainties, are explored with a focus on the impact of background models and their dependence on neutron energy.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗