Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “Fission Calculations”

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.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 469 records · Page 26
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

The Transient Multi-Level method for Monte Carlo reactor statics calculations

The Transient Multi-Level (TML) method is applied to a time-dependent Monte Carlo transport solver to offload some of the computational burden of the expensive Monte Carlo solve to lower-order Coarse Mesh Finite Difference (CMFD) and Exact Point Kinetics Equations (EPKE) solvers via factorization of the neutron flux at the transport and CMFD levels using the Predictor Corrector Quasi-Static Method (PCQM). The Monte Carlo transient is solved by a modified fission source iteration scheme that introduces a single transient source bank. The method is implemented in the production-level Monte Carlo code, Shift, and verified with prescribed reactivity ramps from the two-dimensional version of the C5G7-TD reactor benchmark. The results show that, as compared to other quasi-static methods, the TML reduces the stochastic noise inherent to the transient Monte Carlo solver by factors of ~2 to 6 for various norm comparisons of the reactor power amplitude. Finally, the TML additionally reduces the number of Monte Carlo evaluations needed to simulate the transient, leading to roughly an order of magnitude improvement in CPU time relative to the standard PCQM for the problems tested.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2025

Quantifying fission gas adsorption onto natural clinoptilolite in the presence of environmental air and water

Adsorption of noble gas fission products onto naturally occurring minerals is of interest for its potential to retain or retard emissions from nuclear fuel reprocessing operations or underground nuclear explosions. However, experimental studies of trace noble gas adsorption in the presence of air and water have largely focused on synthetic materials, such as activated carbon or metal-organic frameworks. Here, in this study, adsorption of Kr and Xe onto the naturally occurring zeolitic mineral clinoptilolite is studied in the presence of nitrogen and water. By varying the composition of the gas phase and monitoring the change in the combined adsorbate mass, the adsorbed concentration of noble gas is calculated gravimetrically. For dry clinoptilolite, the concentration of adsorbed Kr and Xe is linearly correlated with noble gas pressure and Henry's Law appears satisfactory, despite the presence of nitrogen at atmospheric pressures. However, the presence of water significantly reduces the adsorbed concentration of both Kr and Xe, which is typical in nanoporous sorbents. Here, an empirical bivariate model is presented, combining the Henry's Law adsorption model for a dry adsorbent with the exponential reduction in the presence of water, as reported by Lungu and Underhill in 1999. This model provides a means to estimate the adsorbate concentration at the trace partial pressures and higher water contents relevant to field-scale modeling of fission gas transport through the vadose zone.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2021

Nuclear Data Needs for Radiochemistry

There are many elements of interest to the weapons community that include light elements, activation products, fission products, actinides and heavy elements. Of course, that is the whole periodic table! In this memo we summarize a down-selected list, 22 of 118+ of elements that have or could serve as radiochemical diagnostic measurements. The simulations would need cross sections for nuclides (and metastable states) of these elements to be able to calculate values for comparison with debris measurements.

38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEA↗
DOE OSTI2022

Nuclear Data Needs for Radiochemistry

There are many elements of interest to the weapons community that include light elements, activation products, fission products, actinides, and heavy elements. Of course, that is the whole periodic table! In this memo we summarize a down-selected list, 22 of 118+ of elements that have or could serve as radiochemical diagnostic measurements. The simulations would need cross sections for nuclides (and metastable states) of these elements to be able to calculate values for comparison with debris measurements.

36 MATERIALS SCIENCE↗
NASA NTRS1988

Cosmic string induced peculiar velocities

This paper considers the scenario of a flat universe with a network of heavy cosmic strings as the primordial fluctuation spectrum. The joint probability of finding streaming velocities of at least 600 km/s on large scales and local peculiar velocities of less than 800 km/s is calculated. It is shown how the effects of loops breaking up and being born with a spectrum of sizes can be estimated. It is found that to obtain large-scale streaming velocities of at least 600 km/s, it is necessary that either a large value for beta G mu exist or the effect of loop fissioning and production details be considerable.

Van Dalen, Anthony↗
NASA NTRSDate not supplied

Advanced Materials for the Lunar Surface: Multiscale Computational Design of Refractory Alloys and Carbides

Emerging operational environments, such as the lunar surface, present novel challenges for NASA and drive the need for advanced materials in applications like fission surface power systems. To address these demands, computational materials science is rapidly evolving to augment or replace costly and hazardous empirical testing. Although materials selection at NASA remains predominantly experimentally driven, advanced simulation methodologies are being steadily integrated into the engineering lifecycle. This work details the application of multiscale simulation techniques—including first-principles calculations, CALPHAD, dislocation dynamics, and molecular dynamics—at NASA's Ames Research Center to evaluate advanced materials for extreme environments. First, we present contributions to the Space Nuclear Propulsion Project. Be-cause propellant channel coatings in nuclear thermal rockets must withstand high-pressure, high-temperature hydro-gen, optimizing these materials is critical. First-principles calculations were employed to establish a rigorous quantitative and qualitative understanding of the behavior of the refractory carbides ZrC, NbC, and their mixtures in high-enthalpy hydrogen environments. This necessitated the generation of high-fidelity thermodynamic models for both stoichiometric and carbon-depleted carbides, both with and without the presence of hydrogen. Furthermore, we highlight efforts under the Refractory Alloy Additive Manufacturing Build Optimization (RAAMBO) project, where existing and novel alloy compositions were assessed for additive manufacturing printability and subsequent performance in applications such as heat pipes and rocket nozzle extensions. This was accomplished through a comprehensive multiscale simulation framework that bridged the gap from the nanometer to the millimeter scale. Across both initiatives, rigorous validation against empirical data was prioritized. By systematically employing a verified and validated computational frame-work, we demonstrate how simulation effectively supports multidisciplinary engineering efforts, builds project-wide confidence, and drives critical materials development.

computational materials↗
DOE OSTI2024

Effect of iodides on thermal behavior and phase partitioning in LiCl-KCl

Liquid-fueled molten salt reactors (MSRs) are designed to operate with fissile materials and, ultimately, fission products dissolved in the primary molten salt coolant. Understanding the speciation and transport of iodine—a high-yield fission product—is essential because this element’s accidental release poses significant environmental concerns due to its capacity to be readily absorbed by the human thyroid gland. Here, we report the impact of iodide species (LiI and KI) on phase transitions, phase distribution, and phase stability in LiCl–KCl-eutectic salt mixtures. The study employed a combination of computational and experimental techniques, including thermodynamic FactSage calculations, differential scanning calorimetry, and high-temperature X-ray diffraction. The results indicate that the presence of iodide (10–25 wt%) significantly alters the melting behavior of the LiCl–KCleutectic system. Adding 10 wt% LiI has a more-pronounced effect than 10 wt% KI, as LiI converts to KI, leading to formation of LiCl, thereby, altering the LiCl-KCl ratio which significantly affects the melting temperature of the mixture. Furthermore, the evolution of crystalline structure, solid-fraction composition, and the dynamics of mixed-halide solid–liquid partitioning as a function of temperature indicate the potential for selective iodide separation from chloride-salt mixtures via solid–liquid separation techniques. Overall, the presented findings provide valuable insights that are beneficial for the design and operation of MSRs, as well as for the safe handling and effective processing of used nuclear fuel using advanced pyrochemical techniques.

11 - NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2024

Computing the solubility of argon and xenon in molten sodium chloride and potassium chloride salts

Molten salt reactors (MSRs) offer significant advancements in nuclear reactor safety and efficiency by operating at higher temperatures and lower pressures compared to traditional reactors. A critical aspect of MSR operation involves understanding the solubility of fission byproducts, particularly noble gases, in the molten salts used. This study employs molecular dynamics (MD) simulations to compute Henry’s law constants and enthalpies of solvation for argon and xenon in molten sodium chloride (NaCl) and potassium chloride (KCl). We developed a new pairwise potential for the noble gas and salt interactions based on first principles calculations. We then used this potential to calculate Henry’s law constants of the two gases in the molten salts, which were modeled using both a rigid ion model (RIM) and a polarizable ion model (PIM). The solubility calculations, performed using the Widom insertion method, show qualitative agreement with limited experimental data, highlighting the temperature dependence and greater solubility of both gases in KCl compared to NaCl. Additionally, free volume analysis elucidated the role of available space within the molten salts in governing solubility trends. Our findings suggest that PIM trajectories provide more reliable predictions for noble gas solubility than RIM due to their accurate density representation. Furthermore, these results enhance understanding of gas solubility in MSR environments, and the methods can be readily extended to other systems.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2020

Light element ($$Z=1,2$$) production from spontaneous ternary fission of $$^{252}$$Cf

Abstract The yields of light elements ( $$Z=1,2$$ Z = 1 , 2 ) obtained from spontaneous ternary fission of $$^{252}$$ 252 Cf are treated within a nonequilibrium approach, and the contribution of unstable nuclei and excited bound states is taken into account. These light cluster yields may be used to probe dense matter, and to infer in-medium corrections such as Pauli blocking which is determined by the nucleon density. Continuum correlations are calculated from scattering phase shifts using the Beth-Uhlenbeck formula, and the effect of medium modification is estimated. The relevant distribution is reconstructed from the measured yields of isotopes. This describes the state of the nucleon system at scission and cluster formation, using only three Lagrange parameters which are the nonequilibrium counterparts of the temperature and chemical potentials, as defined in thermodynamic equilibrium. We concluded that a simple nuclear statistical equilibrium model neglecting continuum correlations and medium effects is not able to describe the measured distribution of H and He isotopes. Moreover, the freeze-out concept may serve as an important ingredient to the nonequilibrium approach using the relevant statistical operator concept.

Röpke, G.↗
DOE OSTI2026

High-Burnup LOCA Burst Susceptibility BISON Analysis in PWRs and BWRs

Accurately assessing high-burnup fuel behavior during loss-of-coolant accidents (LOCAs) is essential for understanding fuel fragmentation, relocation, and dispersal (FFRD) risks across the US light-water reactor fleet. This work updates previous Nuclear Energy Advanced Modeling and Simulation (NEAMS) Program multiphysics LOCA analyses for a pressurized water reactor (PWR) and a boiling water reactor (BWR) by incorporating recent model and material property advancements in the BISON fuel performance code, including a high-burnup structure (HBS) model, revised cladding burst criteria, and updated thermal–mechanical correlations. This update was needed to support ongoing industry initiatives and upcoming regulatory changes. Full-core, rod-resolved operating histories generated using Virtual Environment for Reactor Analysis (VERA) and system-level LOCA conditions obtained from TRACE were applied to statistically representative rod samples in BISON to evaluate burst behavior and FFRD susceptibility. These calculations used two cladding burst correlations and three fuel pulverization models so that the predictions of these models could be compared. The updated PWR simulations show markedly improved numerical stability as the number of crashed simulations decreased by 95% compared to the previous study, and hence higher confidence in results. The updated PWR simulations predicted cladding bursts exclusively among once-burned, high-power rods, with two different cladding burst models identifying the same burst-susceptible population. Resulting FFRD susceptibility estimates are significantly reduced compared with earlier studies, driven by cooler predicted fuel and plenum temperatures, lower hoop strains, and reduced fission gas release in the updated models. In contrast, none of the BWR rods were predicted to burst under either burst criterion, reaffirming minimal BWR FFRD susceptibility even with updated HBS and material models. Comparisons between the PWR and BWR end-of-cycle predictions are made. Comparison with prior work highlights significant shifts in PWR fuel performance metrics and confirmation of earlier BWR conclusions. Overall, the updated results underscore the importance of having high-resolution detailed modeling capability and continuously integrating evolving material models and physics into high-resolution multiphysics simulations. The unified assessment presented here strengthens confidence in predicting high-burnup LOCA behavior by improving agreement between different cladding burst correlations. These results also provide an improved foundation for future BISON model development, FFRD susceptibility calculations.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2020

FAST-1.0: A Computer Code for Thermal-Mechanical Nuclear Fuel Analysis under Steady-state and Transients: Developed under NQA-1-2017

Fuel Analysis under Steady-state and Transients (FAST) is the US Nuclear Regulatory Commission (NRC)’s computer code that calculates the steady-state and transient response of nuclear reactor fuel rods during long-term in-reactor burnup, anticipated operational occurrences (AOOs), design basis accidents (DBAs), and dry storage conditions. The code calculates the temperature, pressure, and deformation of a fuel rod as functions of time-dependent fuel rod power and coolant boundary conditions. The phenomena modeled by the code include: heat conduction through the fuel and other materials, heat transfer from the cladding-to-coolant, cladding elastic and plastic deformation, including creep, fuel-cladding mechanical interaction, fission gas release from the fuel, rod internal pressure and void volume, and cladding oxidation. The code contains necessary material and coolant properties, as well as clad-to-coolant heattransfer correlations, for normal operation through postulated accidents for today’s US-based light water reactor (LWR) fuel designs. FAST-1.0 also contains preliminary materials and models for new LWR fuel concepts, such as accident tolerant fuel (ATF), and non-LWR fuel concepts such as metallic fuels for sodium fast reactors (SFRs). FAST has been developed for use on Windows and Linux operating systems. This document describes FAST-1.0, which is the first official version of this code. This document is one of a series of documents on FAST; the other documents detail the material properties used by FAST as well as its integral assessment to experiments and commercial data.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2022

FAST-1.1: A Computer Code for Thermal-Mechanical Nuclear Fuel Analysis under Steady-state and Transients (Developed under NQA-1-2017)

Fuel Analysis under Steady-state and Transients (FAST) is the U.S. Nuclear Regulatory Commission (NRC)’s computer code that calculates the steady-state and transient response of nuclear reactor fuel rods during long-term in-reactor burnup, anticipated operational occurrences (AOOs), design basis accidents (DBAs), and dry storage conditions. The code calculates the temperature, pressure, and deformation of a fuel rod as functions of time-dependent fuel rod power and coolant boundary conditions. The phenomena modeled by the code include: * heat conduction through the fuel and other materials * heat transfer from the cladding-to-coolant * cladding elastic and plastic deformation, including creep * fuel-cladding mechanical interaction * fission gas release from the fuel * rod internal pressure and void volume * cladding oxidation The code contains necessary material and coolant properties, as well as clad-to-coolant heat transfer correlations, for normal operation through postulated accidents and AOOs for today’s U.S.-based light water reactor (LWR) fuel designs. FAST-1.1 also contains preliminary materials and models for new LWR fuel concepts, such as accident tolerant fuel (ATF), and non-LWR fuel concepts such as metallic fuels for sodium fast reactors (SFRs). FAST has been developed for use on Windows and Linux operating systems. This document describes FAST-1.1 and is one of a series of documents on the code; the other documents detail the material properties used by FAST as well as its integral assessment to experiments and commercial data.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2024

Abatement Case Study

Radioxenon emissions from industrial sources such as fission based medical isotope production (MIP) facilities and nuclear reactors are generally known to be well below levels of public health and safety concern. However, the global background of radioxenon produced by MIP interferes with nuclear explosion monitoring by the International Monitoring System (IMS) developed for the Comprehensive Nuclear-Test-Ban Treaty (CTBT) (CTBTO, 2024). It was calculated that xenon emissions levels of 5×10 9 Bq/day 133 Xe were low enough to have minimal impact on International Monitoring System (IMS) stations (Bowyer et al, 2013). There are several technologies currently used to abate radioactive xenon emissions to meet regulatory release levels, and some alternative methods have been investigated to reduce xenon release levels well below required regulatory levels (Doll et al, 2014, Gueibe, et al, 2014). While MIP producers are sympathetic to the issue of radioxenon interference with IMS monitoring, the cost to implement and maintain additional abatement systems has resulted in limited implementation. Therefore, more cost-effective options for xenon abatement are needed to help reduce the impact of these emissions on nuclear explosion monitoring.

07 ISOTOPE AND RADIATION SOURCES↗
DOE OSTI2023

FAST-1.2: A Computer Code for Thermal-Mechanical Nuclear Fuel Analysis under Steady-state and Transients

Fuel Analysis under Steady-state and Transients (FAST) is the U.S. Nuclear Regulatory Commission (NRC)’s computer code that calculates the steady-state and transient response of nuclear reactor fuel rods during long-term in-reactor burnup, anticipated operational occurrences (AOOs), design basis accidents (DBAs), and dry storage conditions. The code calculates the temperature, pressure, and deformation of a fuel rod as functions of time-dependent fuel rod power and coolant boundary conditions. The phenomena modeled by the code include: • heat conduction through the fuel and other materials • heat transfer from the cladding-to-coolant • cladding elastic and plastic deformation, including creep • fuel-cladding mechanical interaction • fission gas release from the fuel • rod internal pressure and void volume • cladding oxidation The code contains necessary material and coolant properties, as well as clad-to-coolant heat-transfer correlations, for normal operation through postulated accidents and AOOs for today’s U.S.-based light water reactor (LWR) fuel designs. FAST-1.2 also contains preliminary materials and models for new LWR fuel concepts, such as accident tolerant fuel (ATF), and non-LWR fuel concepts such as metallic fuels for sodium fast reactors (SFRs). FAST has been developed for use on Windows and Linux operating systems. This document describes FAST-1.2 and is one of a series of documents on the code; the other documents detail the material properties used by FAST as well as its integral assessment to experiments and commercial data.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2026

FAST-1.2.2: A Computer Code for Thermal-Mechanical Nuclear Fuel Analysis under Steady-state and Transients

Fuel Analysis under Steady-state and Transients (FAST) is the U.S. Nuclear Regulatory Commission (NRC)’s computer code that calculates the steady-state and transient response of nuclear reactor fuel rods during long-term in-reactor burnup, anticipated operational occurrences (AOOs), design basis accidents (DBAs), and dry storage conditions. The code calculates the temperature, pressure, and deformation of a fuel rod as functions of time-dependent fuel rod power and coolant boundary conditions. The phenomena modeled by the code include heat conduction through the fuel and other materials, heat transfer from the cladding-to-coolant, cladding elastic and plastic deformation (including creep), fuel-cladding mechanical interaction, fission gas release from the fuel, rod internal pressure, void volume, and cladding oxidation. The code contains necessary material and coolant properties, as well as clad-to-coolant heat transfer correlations, for normal operation through postulated accidents and AOOs for today’s U.S.-based light water reactor (LWR) fuel designs. FAST-1.2.2 also contains preliminary materials and models for new LWR fuel concepts, such as accident tolerant fuel (ATF), and non-LWR fuel concepts such as metallic fuels for sodium fast reactors (SFRs). FAST has been developed for use on Windows and Linux operating systems. This document describes FAST-1.2.2 and is one of a series of documents on the code; the other documents detail the material properties used by FAST as well as its integral assessment to experiments and commercial data.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2023

Consistent Nuclear Data Evaluations for Criticality Safety

Evaluations of nuclear data are based on statistical analysis of available experimental data and their uncertainties plus model calculations and their uncertainties. As the models are currently rather limited, the evaluations are heavily biassed toward experimental data, with the caveat that a thorough analysis is also required to understand possible discrepancies between data sets. Hence, as new experimental data become available, they are incorporated into the evaluation procedure. Recent measurements of the 233 U capture to fission cross section ratio at the Los Alamos Neutron Science Center have prompted a re-evaluation of the capture cross section in the resonance and fast regions up to 250 keV. We will discuss the challenges of including the new fast neutron experimental data in an evaluation that is consistent with the resonance region. We will also discuss our consistent evaluation procedure based on the Hauser-Feshbach statistical model for nuclear reactions and its application to the evaluations of 239 Pu and 139 La neutron-induced reactions.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2024

Improving Fission Products at CARIBU: Near Field Detection (Q1/FY24 Quarterly Progress Report)

The article on “Direct Mass Measurements to Inform the Behavior for 128mSb in Nucleosynthesis Environments” by Daniel Hoff et al., recently published in Physical Review Letters. The results of the work are a combination of an extraordinary work on precision mass measurements performed with the Canadian Penning Trap at ANL (the most precise mass measurement of the ground state and the isomeric state in 128Sb performed to date), and an extensive nucleosynthesis theory calculation that include isomers performed by the theorists at LANL.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2022

Health Physics Research Reactor Criticality Accident Alarm System Benchmark Overview [Slides]

This presentation discusses the Health Physics Research Reactor (HPRR) or Fast Burst Reactor (FBR) and how available data from Health Physics Research Reactor (HPRR) operation to can be used to create a benchmark report for inclusion in the ICSBEP, as a Criticality Accident Alarm System (CAAS) shielding benchmark. The evaluation of experimental data is also presented, specifically four experimental candidates are considered of potential value for the benchmark: 1. Neutron source estimation from a HPRR pulse (energy spectrum, fission yield), 2. Threshold Detector Unit (TDU) measurements at different distances from a HPRR pulse, shielded and unshielded, 3. Sulfur pellet activation at different distances from a HPRR pulse, shielded and unshielded, and 4. Total neutron fluence from a HPRR pulse measured by Bonner Sphere Spectrometry, shielded and unshielded. Additionally, a benchmark model overview is discussed as are sample calculation results.

61 RADIATION PROTECTION AND DOSIMETRY↗