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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 19 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Description of the Fission Process: Nuclear Models for Fission Dynamics

Nuclear fission is the splitting of a heavy nucleus into two or more fragments, a process that releases a substantial amount of energy. It is ubiquitous in modern applications, critical for national security, energy generation and reactor safeguards. Fission also plays an important role in understanding the astrophysical formation of elements in the universe. Eighty years after the discovery of the fission process, its theoretical understanding from first principles remains a great challenge. In this paper, we present promising new approaches to make more accurate predictions of fission observables.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2018

Effects of surface initial condition on aqueous corrosion of glass-A study with a model nuclear waste glass

Being a nonequilibrium material, the structure of glass varies with the sample history. Thus, the initial surface condition of a glass can vary with the preparation condition and have a large impact on its reactivity. This paper shows that the aqueous corrosion behavior of international simple glass (ISG) varies depending on the initial surface state. The ISG glass samples were prepared as-polished-only and polished-then-annealed and they were immersed in aqueous solution saturated with soluble SiO 2 at 30°C (modeling a mild condition) and at 90°C (modeling a severe condition). Molecular dynamics simulations were performed to obtain coordination numbers of network formers of ISG to assist oxygen speciation calculations. The surface structures of as-prepared and corroded ISG samples were analyzed using various imaging and spectroscopic techniques. Among these analyses, only the oxygen speciation with x-ray photoelectron spectroscopy showed discernable differences between two uncorroded surfaces with different preparation histories; all other methods could not differentiate the surface preparation history before aqueous corrosion. Such minor difference in chemical structures was found to have a profound impact on corrosion behaviors in the mild condition. In the harsh condition, the surface history dependence was not as drastic as the corrosion in the mild condition. The analysis results of the corroded surfaces suggested that the thickness and structure of the alteration layer formed on ISG in aqueous corrosion can vary with the initial surface state.

nuclear, defects, corrosion↗
DOE OSTI2025

Discovering nuclear models from symbolic machine learning

Numerous phenomenological nuclear models have been proposed to describe specific observables within different regions of the nuclear chart. However, developing a unified model that describes the complex behavior of all nuclei remains an open challenge. Here, we explore whether symbolic Machine Learning (ML) can rediscover traditional nuclear physics models or identify alternatives with improved simplicity, fidelity, and predictive power. To address this challenge, we developed a Multi-objective Iterated Symbolic Regression approach that handles symbolic regressions over multiple target observables, accounts for experimental uncertainties and is robust against high-dimensional problems. As a proof of principle, we applied this method to describe the nuclear binding energies and charge radii of light and medium mass nuclei. Our approach identified simple analytical relationships based on the number of protons and neutrons, providing interpretable models with precision comparable to state-of-the-art nuclear models. Additionally, we integrated this ML-discovered model with an existing complementary model to estimate the limits of nuclear stability. These results highlight the potential of symbolic ML to develop accurate nuclear models and guide our description of complex many-body problems.

Nuclear structure↗
DOE OSTI2017

Validating nuclear models: electron data to interpret neutrino physics

Nuclear models in Monte Carlo event generators are crucial for interpreting neutrino scattering experiments, but are dicult to verify using only neutrino data due to incomplete data for some energy ranges. In particular, we seek to constrain the GENIE neutrino event generator's models. To overcome the uncertainties inherent to neutrino experiments, it is useful to take advantage of more controllable electron scattering experiments to evaluate current models and place constraints on future models. In this preliminary study on the feasibility of this strategy, we evaluate variables sensitive to the choice of nuclear model for the GENIE default model and data from the Jeerson Labs CLAS experiment. We nd some disagreement between them, likely explained by the the use of a dated default and background known to be remaining in the CLAS data that is not accounted for.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2025

Implementation of INCL Nuclear Model in GENIE Generator

The Li ge Intranuclear Cascade (INCL) model is a nuclear-physics model that simulates hadron (baryon, anti-baryon and meson) reactions on nuclei, for incident energies ranging from a few tens of MeV to 10-20 GeV. The INCL model has been well validated by hadron scattering data. In my work, I implement an interface in GENIE to use the INCL nuclear model in the simulations of both the initial state of the target nucleus and the Final State Interaction in neutrino-nucleus interaction. It has a consistent treatment of nuclear models in both neutrino interaction and hadron rescattering. A full event record including neutrino vertex and each vertex of hadron rescattering has been accomplished. Several processes, e.g. cluster production, Delta transportation and de-excitation will also be included as benefits of the implementation of the INCL model in GENIE. I will show some initial simulation results showcasing the new GENIE features and discuss plans for making them available for use in experimental analyses.

Liu, Liang [Fermilab]↗
DOE OSTI2025

Implementation of INCL nuclear model in GENIE Generator

The Liège Intranuclear Cascade (INCL) model is a nuclear-physics model that simulates hadron (baryon, anti-baryon and meson) reactions on nuclei, for incident energies ranging from a few tens of MeV to 10-20 GeV. The INCL model has been well validated by hadron scattering data. In my work, I implement an interface in GENIE to use the INCL nuclear model in the simulations of both the initial state of the target nucleus and the Final State Interaction in neutrino-nucleus interaction. It has a consistent treatment of nuclear models in both neutrino interaction and hadron rescattering. A full event record including neutrino vertex and each vertex of hadron rescattering has been accomplished. Several processes, e.g. cluster production, Delta transportation and de-excitation will also be included as benefits of the implementation of the INCL model in GENIE. I will show some initial simulation results showcasing the new GENIE features and discuss plans for making them available for use in experimental analyses.

Liu, Liang [Fermilab] (ORCID:000000026753925X)↗
DOE OSTI2015

Modeling nuclear processes by Simulink

Modelling and simulation are essential parts in the study of dynamic systems behaviours. In nuclear engineering, modelling and simulation are important to assess the expected results of an experiment before the actual experiment is conducted or in the design of nuclear facilities. In education, modelling can give insight into the dynamic of systems and processes. Most nuclear processes can be described by ordinary or partial differential equations. Efforts expended to solve the equations using analytical or numerical solutions consume time and distract attention from the objectives of modelling itself. This paper presents the use of Simulink, a MATLAB toolbox software that is widely used in control engineering, as a modelling platform for the study of nuclear processes including nuclear reactor behaviours. Starting from the describing equations, Simulink models for heat transfer, radionuclide decay process, delayed neutrons effect, reactor point kinetic equations with delayed neutron groups, and the effect of temperature feedback are used as examples.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2016

Quantitative properties of clustering within modern microscopic nuclear models

A method for studying cluster spectroscopic properties of nuclear fragmentation, such as spectroscopic amplitudes, cluster form factors, and spectroscopic factors, is developed on the basis of modern precision nuclear models that take into account the mixing of large-scale shell-model configurations. Alpha-cluster channels are considered as an example. A mathematical proof of the need for taking into account the channel-wave-function renormalization generated by exchange terms of the antisymmetrization operator (Fliessbach effect) is given. Examples where this effect is confirmed by a high quality of the description of experimental data are presented. By and large, the method in question extends substantially the possibilities for studying clustering phenomena in nuclei and for improving the quality of their description.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2015

“Full Model” Nuclear Data and Covariance Evaluation Process Using TALYS, Total Monte Carlo and Backward-forward Monte Carlo

The “Full model” evaluation process, that is used in CEA DAM DIF to evaluate nuclear data in the continuum region, makes extended use of nuclear models implemented in the TALYS code to account for experimental data (both differential and integral) by varying the parameters of these models until a satisfactory description of these experimental data is reached. For the evaluation of the covariance data associated with this evaluated data, the Backward-forward Monte Carlo (BFMC) method was devised in such a way that it mirrors the process of the “Full model” evaluation method. When coupled with the Total Monte Carlo method via the T6 system developed by NRG Petten, the BFMC method allows to make use of integral experiments to constrain the distribution of model parameters, and hence the distribution of derived observables and their covariance matrix. Together, TALYS, TMC, BFMC, and T6, constitute a powerful integrated tool for nuclear data evaluation, that allows for evaluation of nuclear data and the associated covariance matrix, all at once, making good use of all the available experimental information to drive the distribution of the model parameters and the derived observables.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2015

Sub-saturation matter in compact stars: Nuclear modelling in the framework of the extended Thomas-Fermi theory

A recently introduced analytical model for the nuclear density profile [1] is implemented in the Extended Thomas-Fermi (ETF) energy density functional. This allows to (i) shed a new light on the issue of the sign of surface symmetry energy in nuclear mass formulas, as well as to (ii) show the importance of the in-medium corrections to the nuclear cluster energies in thermodynamic conditions relevant for the description of core-collapse supernovae and (proto)-neutron star crust.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2021

YAHFC: A Code Framework to Model Nuclear Reactions and Estimate Correlated Uncertainties

Reaction modeling is a key ingredient in designing experiments and interpreting their results, and is an essential component in the process of evaluating nuclear data and assembling nuclear data libraries used in nuclear technology applications. Typically, experimental data are available only for a handful of reaction channels and theory models are used to fill in the gaps. In addition, theory is often called upon as the arbitrator between discrepant data. Most importantly, theory and modeling are required for an accurate determination of uncertainties in the evaluated data and the correlations between the multiple channels. A fast, accurate, and flexible modeling capability has been developed at LLNL with the code system YAHFC (Yet Another Hauser-Feshbach Code). YAHFC is a Monte Carlo, Hauser-Feshbach code framework, making full use of dynamic memory allocation, derived types, and parallel computing. YAHFC can generate events to simulate experiments and is guiding experiments designed to measure inelastic neutron scattering from actinide targets. YAHFC is also being used to analyze decays from surrogate experiments, thereby enabling the inference of reaction cross sections inaccessible by direct measurement. Finally, by modeling nuclear reactions with constraints from experimental data, YAHFC can deliver complete nuclear data libraries, with evaluated uncertainties, using the modernized Generalized Nuclear Data Structure (GNDS).

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2021

Monte Carlo Hauser-Feshbach computer code system to model nuclear reactions: YAHFC

A computer program framework, YAHFC, to model low-energy nuclear reactions is presented. The framework allows for reactions with incident particles ranging from protons/neutrons to alphas and is designed to address reactions that ultimately lead to the formation of compound nuclear systems that then decay statistically as outlined in concepts of Hauser and Feshbach. Additionally, instead of a reaction, it is also possible to model the decay of a nuclear system with an initial excitation and population. The code models nuclear decays with a Monte Carlo process that tracks the decay of each state. This allows for an exact representation of the spectra for all emitted particles in each of the final exit channels and the possibility of generating reaction data for simulation purposes. The program is interfaced with the optical model code system FRESCOX to calculate transmission coefficients as well as the effects of coupled channels and other direct excitations via the distorted wave Born approximation (DWBA). Modules are included to account for nuclear processes such as width corrections, pre-equilibrium emission, and fission. The program is controlled by a series of input commands and while a set of input parameters exists for each projectile and target, the input commands allow for complete control over each input parameter. Extensive data files are produced and a program is provided that converts YAHFC data files into nuclear data library entries in the generalized nuclear data structure (GNDS).

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2025

Nuclear Modeling and Simulation Using MOOSE-based Tools

Overview presentation of the variety of modeling and simulation activities for nuclear applications to be presented to visitors (professors and their students) from the United Kingdom. Presentation compiled by listed author with contributions from others at the laboratory. Others are listed within the acknowledgements of the presentation rather than a long list of authors on the title slide.

11 - NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2013

Shell model nuclear matrix elements for competing mechanisms contributing to double beta decay

Recent progress in the shell model approach to the nuclear matrix elements for the double beta decay process are presented. This includes nuclear matrix elements for competing mechanisms to neutrionless double beta decay, a comparison between closure and non-closure approximation for {sup 48}Ca, and an updated shell model analysis of nuclear matrix elements for the double beta decay of {sup 136}Xe.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2018

Sesame-style decomposition of KS-DFT molecular dynamics for direct interrogation of nuclear models

A common paradigm used in the construction of equations of state is to decompose the thermodynamics into a superposition of three terms: a static-lattice cold curve, a contribution from the thermal motion of the nuclei, and a contribution from the thermal excitation of the electrons. While statistical mechanical models for crystals provide tractable framework for the nuclear contribution in the solid phase, much less is understood about the nuclear contribution above the % melt temperature $(C^{(nuc)}_ν≈3R)$ and how it should transition to the high-temperature limit $(C^{(nuc)}_ν\sim\frac{3}{2}R)$. Here, we describe an algorithm for extracting both the thermal nuclear and thermal electronic contributions from quantum molecular dynamics (QMD) simulations. We then use the VASP QMD package to probe thermal nuclear behavior of liquid aluminum at normal density to compare the results to semi-empirical models – the Johnson generic model, the Chisolm high-temperature liquid model, and the CRIS model. The thermal electronic energy is also calculated from the VASP results and compared to the Kohn-Sham calculations from QE-DFT simulations, Green’s function average atom calculations, and the Thomas-Fermi atomic model.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2013

Validation of nuclear models used in space radiation shielding applications

A program of verification and validation has been undertaken to assess the applicability of models to space radiation shielding applications and to track progress as these models are developed over time. In this work, simple validation metrics applicable to testing both model accuracy and consistency with experimental data are developed. The developed metrics treat experimental measurement uncertainty as an interval and are therefore applicable to cases in which epistemic uncertainty dominates the experimental data. To demonstrate the applicability of the metrics, nuclear physics models used by NASA for space radiation shielding applications are compared to an experimental database consisting of over 3600 experimental cross sections. A cumulative uncertainty metric is applied to the question of overall model accuracy, while a metric based on the median uncertainty is used to analyze the models from the perspective of model development by examining subsets of the model parameter space.

61 RADIATION PROTECTION AND DOSIMETRY↗
DOE OSTI2013

The fundamental role of symmetry in nuclear models

The purpose of these lectures is to illustrate how symmetry and pattern recognition play essential roles in the progression from experimental observation to an understanding of nuclear phenomena in terms of interacting neutrons and protons. We do not discuss weak interactions nor relativistic and sub-nucleon degrees of freedom. The explicit use of symmetry and the power of algebraic methods, in combination with analytical and geometrical methods are illustrated by their use in deriving a shell-model description of nuclear rotational dynamics and the structure of deformed nuclei.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2023

Modeling nuclear energy’s future role in decarbonized energy systems

Increased attention has been focused on the potential role of nuclear energy in future electricity markets and energy systems as stakeholders target rapid and deep decarbonization and reductions in fossil fuel use. This paper examines models of electric sector planning and broader energy systems optimization to understand the prospective roles of nuclear energy and other technologies. In this perspective, we survey modeling challenges in this environment, illustrate opportunities to propagate best practices, and highlight insights from the deep decarbonization literature on the range of visions for nuclear energy's role. Nuclear energy deployment is highest with combinations of stringent emissions policies, nuclear cost reductions, and constraints on the deployment of other technologies, which underscores model dimensions related to these areas. New modeling capabilities are needed to adequately address emerging issues, including representing characteristics and applications of nuclear energy in systems models, and to ensure the relevance of models for policy and planning as deeper decarbonization is explored.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗