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DOE OSTI2025

Impact of Time Dependent Reactor and Sensor Physics on Core Power Synthesis

Online synthesis of the power distribution is critical in the operation and control of nuclear power reactors to ensure that the core is operating within safety margins, and to provide essential knowledge associated with the burnup of the fuel. In light water reactors (LWRs), power synthesis is achieved by using some a priori knowledge of the state of the reactor core and updating based on the signals coming from in-core sensors—namely, self-powered neutron detectors (SPNDs). This report aims to study the effects of fuel burnup and sensor degradation on the ability to accurately synthesize the power distribution in a LWR. Several modeling tools were used to simulate power synthesis based on the responses of SPNDs, with emitters made out of Rh or V. A representative pressurized water reactor low-enriched uranium (LEU) core was modeled using the Polaris/Purdue Advanced Reactor Core Simulator (PARCS) approach. The Monte Carlo N-Particle Transport 6 (MCNP6) code was used, as well, to calculate response functions between different segments of fuel to individual SPNDs; this is a crucial parameter for power synthesis. The Oak Ridge Isotope GENeration (ORIGEN) package in the Standardized Computer Analyses for Licensing Evaluation (SCALE) code was used to model the time-dependent isotopic transmutation in the SPND emitters. All these data were fed into a custom code that enacted the point-based iterative (PBI) method to simulate power synthesis. Developmental work was also performed on high-fidelity SPND models in the GEometry ANd Tracking 4 (Geant4) code, which enables higher-accuracy modeling of the current responses from SPNDs. In this work, five sets of time-dependent power synthesis test cases were conducted. In these test cases, systematic changes in the input conditions enabled an analysis of the effect of (1) slightly inaccurate a priori power distribution assumptions with respect to fuel burnup, (2) highly inaccurate a priori assumptions with respect to fuel burnup (such that burnup is not included in the a priori assumed distribution), and (3) differences between Rh and V SPNDs in terms of downstream consequences of the transmutation in the emitters. The authors discovered that one may permissibly have slightly inaccurate a priori assumptions of the fuel burnup (such that the level of burnup may be slightly under- or over-approximated by the accumulated burnup in approximately 9.3 full power days), but to not account for burnup at all in the a priori assumption leads to severe levels of error, approaching 25% at maximum. The authors also discovered that V SPNDs are extraordinarily robust in the low-enriched uranium fuel cycle considered in this modeling work, whereas Rh SPNDs undergo significant transmutation that can result in large errors in the synthesized power distribution.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

NASA NTRS1993

A simulation model for probabilistic analysis of Space Shuttle abort modes

A simulation model which was developed to provide a probabilistic analysis tool to study the various space transportation system abort mode situations is presented. The simulation model is based on Monte Carlo simulation of an event-tree diagram which accounts for events during the space transportation system's ascent and its abort modes. The simulation model considers just the propulsion elements of the shuttle system (i.e., external tank, main engines, and solid boosters). The model was developed to provide a better understanding of the probability of occurrence and successful completion of abort modes during the vehicle's ascent. The results of the simulation runs discussed are for demonstration purposes only, they are not official NASA probability estimates.

Hage, R. T.↗

DOE OSTI2025

Monte Carlo simulation analysis for radiation damage on Glidcop Al-15 caused by 17-20 MeV/u heavy ions

The Facility for Rare Isotope Beams (FRIB) SRF linear heavy-ion accelerator is designed to accelerate all ions up to uranium to a maximum beam power of 400 kW. Several beam intercepting devices (BIDs) are essential to the successful operation of the accelerator, including a low power charge selector (LPCS) made of copper containing 0.15% precipitated aluminum oxide by weight called Glidcop Al-15. As FRIB ramps up the primary beam power beyond the current 20 kW level, the charge selector must withstand higher radiation damage rates, typically measured in displacements per atom (dpa). Significant beam induced radiation damage including significant deformation, like swelling, blistering, and cracking has been observed on a recently removed LPCS. We also observed physical features up to about 5.5 mm wide and appear to be deeper than the projected range of any ions. This paper presents the results of Monte Carlo simulations carried out using the Particle and Heavy Ion Transport code System (PHITS), quantifying the total damage dose and ion concentration, etc. Simulating an accurate irradiation history is essential to determining the scope of post irradiation examination (PIE) work.

Fletcher, Ethan [Michigan State U.]↗

DOE OSTI2024

Uncertainty in determining carbon dioxide removal potential of biochar

A quantitative and systematic assessment of uncertainty in life-cycle assessment is critical to informing sustainable development of carbon dioxide removal (CDR) technologies. Biochar is the most commonly sold form of CDR to date and it can be used in applications ranging from concrete to agricultural soil amendments. Previous analyses of biochar rely on modeled or estimated life-cycle data and suggest a cradle-to-gate range of 0.20–1.3 kg CO 2 net removal per kg of biomass feedstock, with the range reported driven by differences in energy consumption, pyrolysis temperature, and feedstock sourcing. Herein, we quantify the distribution of CDR possible for biochar production with a compositional life-cycle inventory model paired with scenario-aware Monte Carlo simulation in a 'best practice' (incorporating lower transportation distances, high pyrolysis temperatures, high energy efficiency, recapture of energy for drying and pyrolysis energy requirements, and co-generation of heat and electricity) and 'poor practice' (higher transportation distances, lower pyrolysis temperatures, low energy efficiency, natural gas for energy requirements, and no energy recovery) scenarios. In the best-practice scenario, cradle-to-gate CDR (which is representative of the upper limit of removal across the entire life cycle) is highly certain, with a median removal of 1.4 kg of CO 2 e/kg biomass and results in net removal across the entire distribution. In contrast, the poor-practice scenario results in median net emissions of 0.090 kg CO 2 e/kg biomass. Whether this scenario emits (66% likelihood) or removes (34% likelihood) carbon dioxide is highly uncertain. The emission intensity of energy inputs to the pyrolysis process and whether the bio-oil co-product is used as a chemical feedstock or combusted are critical factors impacting the net carbon dioxide emissions of biochar production, together responsible for 98% of the difference between the best- and poor-practice scenarios.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2020

Sputter-deposited low-stress boron carbide films

Significant challenges have been faced in the manufacturing of low-stress B 4 C films. Here, we demonstrate a set of process parameters for direct-current magnetron sputter deposition of smooth, high-purity, amorphous B 4 C films with near-zero total residual stress and with thicknesses up to 10 μm. Films are characterized by a combination of high-energy ion scattering, x-ray diffraction, electron microscopy, and stress measurements based on substrate curvature. In order to facilitate the process transfer to other sputtering geometries, the favorable deposition conditions are correlated with distributions of landing energies and incident angles of depositing species estimated by Monte Carlo simulations of ballistic collisions and gas phase atomic transport. Based on such simulations, a decrease in compressive stress with increasing Ar working gas pressure is attributed to the corresponding broadening of the angular distribution of depositing species and associated atomic shadowing effects.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Demonstration of a new unstructured mesh IMC x-ray transport capability in LAP codes

The Advanced Simulation and Computing (ASC) Transport project’s Jayenne Implicit Monte Carlo (IMC) transport library now includes an unstructured mesh capability and is available in a Lagrangian Applications Project (LAP) code. In this presentation, we discuss recent work by the LAP and Transport projects that provides an IMC transport capability for radiation hydrodynamics in the Lagrangian frame. Verification problems testing the new capabilities have been simulated and analyzed, i.e. Marshak wave, Mach 45, Su-Olsen, picket fence, and crooked pipe, both in one and two dimensions. We also present results on two stretch goal problems: a simplified COAX high energy density physics experiment and a supernova shock simulation. Finally, we identify current limitations and future work needed to bring a full capability to the user community.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

DOE OSTI2022

Efficiency Studies of Fast Neutron Tracking Using MCNP

Fast neutron identification and spectroscopy is of great interest to nuclear physics experiments. Using the neutron elastic scattering, the fast neutron momentum can be measured. Wang and Morris introduced the theoretical concept that the initial fast neutron momentum can be derived from up to three consecutive elastic collisions between the neutron and the target, including the information of two consecutive recoil ion tracks and the vertex position of the third collision or two consecutive elastic collisions with the timing information. Here, we also include the additional possibility of measuring the deposited energies from the recoil ions. In this paper, we simulate the neutron elastic scattering using the Monte Carlo N-Particle Transport Code (MCNP) and study the corresponding neutron detection and tracking efficiency. The corresponding efficiency and the scattering distances are simulated with different target materials, especially natural silicon (92.23%28Si, 4.67%29Si, and 3.1%30Si) and helium-4 (4He). The timing of collision and the recoil ion energy are also investigated, which are important characters for the detector design. We also calculate the ion traveling range for different energies using the software, “The Stopping and Range of Ions in Matter (SRIM)”, showing that the ion track can be most conveniently observed in 4He unless sub-micron spatial resolution can be obtained in silicon.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

NASA NTRS2003

Monte Carlo Methods in Materials Science Based on FLUKA and ROOT

A comprehensive understanding of mitigation measures for space radiation protection necessarily involves the relevant fields of nuclear physics and particle transport modeling. One method of modeling the interaction of radiation traversing matter is Monte Carlo analysis, a subject that has been evolving since the very advent of nuclear reactors and particle accelerators in experimental physics. Countermeasures for radiation protection from neutrons near nuclear reactors, for example, were an early application and Monte Carlo methods were quickly adapted to this general field of investigation. The project discussed here is concerned with taking the latest tools and technology in Monte Carlo analysis and adapting them to space applications such as radiation shielding design for spacecraft, as well as investigating how next-generation Monte Carlos can complement the existing analytical methods currently used by NASA. We have chosen to employ the Monte Carlo program known as FLUKA (A legacy acronym based on the German for FLUctuating KAscade) used to simulate all of the particle transport, and the CERN developed graphical-interface object-oriented analysis software called ROOT. One aspect of space radiation analysis for which the Monte Carlo s are particularly suited is the study of secondary radiation produced as albedoes in the vicinity of the structural geometry involved. This broad goal of simulating space radiation transport through the relevant materials employing the FLUKA code necessarily requires the addition of the capability to simulate all heavy-ion interactions from 10 MeV/A up to the highest conceivable energies. For all energies above 3 GeV/A the Dual Parton Model (DPM) is currently used, although the possible improvement of the DPMJET event generator for energies 3-30 GeV/A is being considered. One of the major tasks still facing us is the provision for heavy ion interactions below 3 GeV/A. The ROOT interface is being developed in conjunction with the CERN ALICE (A Large Ion Collisions Experiment) software team through an adaptation of their existing AliROOT (ALICE Using ROOT) architecture. In order to check our progress against actual data, we have chosen to simulate the ATIC14 (Advanced Thin Ionization Calorimeter) cosmic-ray astrophysics balloon payload as well as neutron fluences in the Mir spacecraft. This paper contains a summary of status of this project, and a roadmap to its successful completion.

Pinsky, Lawrence↗

DOE OSTI2024

Determining the 9 $\mathrm{Be}$($n, γ$) 10 $\mathrm{Be}$ integral cross section at fission neutron energies

The 9 B neutron capture cross section has significant implications for Be materials in the nuclear industry as well as the α process in stellar nucleosynthesis. While the cross section is well constrained at thermal neutron energies, there is a lack of experimental data at higher neutron energies, and the evaluated nuclear data libraries can differ by up to two orders of magnitude. We calculate the 9 Be(n, γ) 10 Be integral cross section at fission neutron energies in an effort to resolve disagreements amongst the nuclear data libraries. Foil irradiation experiments were performed using the Flattop critical assembly at the National Criticality Experiments Research Center with either the highly enriched U or Pu cores, with target foil stacks placed at multiple locations to exploit different neutron energy profiles. Accelerator mass spectrometry was used to measure the 10 Be/ 9 Be ratio in irradiated Be foils, while all other activation products were quantified through gamma spectrometry. The experiments were simulated using the Monte Carlo N-Particle radiation transport code and combined with experimental results to determine the total neutron fluence, while the staysl-pnnl suite and fispact-ii code were used to validate the model and assess the systematic uncertainty. The new 9 Be(n, γ) 10 Be integral cross sections calculated in this work are 26.5 ± 2.2µb at 0.59 ± 0.07 MeV, 24 ± 3 µb at 0.98 ± 0.14 MeV, 21.7 ± 1.3 µb at 1.26 ± 0.11 MeV, 21.8 ± 1.4 µb at 1.32 ± 0.11 MeV, and 18.6 ± 1.1 µb at 1.46 ± 0.13 MeV. These results do not agree with integral cross sections from any of the nuclear data library evaluations. Discrepancies between the new integral cross sections reported here and the nuclear data libraries suggest a more complex cross-section structure in the MeV range which allows for more resonance contributions, and more work is needed to further constrain the evaluated cross sections.

38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEA↗

DOE OSTI2025

A new way to unravel the $^{12}$C($\alpha $,$\gamma $)$^{16}$O cross section components using neural networks

The $^{12}$C($\alpha $,$\gamma $)$^{16}$O reaction rate is crucial in determining the carbon-to-oxygen abundance ratio in stellar nucleosynthesis. Measuring this reaction’s cross section at stellar energies is challenging due to its extremely small value, approximately 10 -17 barn at E c.m. = 300 keV. To address this, R-matrix calculations are employed to extrapolate data to lower energies, requiring a comprehensive understanding of each contribution to the cross section. The dominant contributions to the cross section at stellar energies arise from electric dipole (E1) and electric quadrupole (E2) transitions to the ground state of 16 O, along with a significant cascade contribution. Traditionally, these contributions have been separated using the γ-ray angular distribution. In this work, we propose a novel technique using the energy distribution of the 16 O recoils at the focal plane. This method involves a neural network trained on detailed Monte Carlo simulations of the energy distribution of recoils transported through the recoil mass separator ERNA. This approach enables the simultaneous determination of all three contributions with errors around 10% in the energy range E c.m. = 1.0–2.2 MeV. In conclusion, by employing this new technique, we aim to significantly improve the accuracy of determining the cross section of the $^{12}$C($\alpha $,$\gamma $)$^{16}$O reaction at astrophysical energies.

Astrochemistry↗

DOE OSTI2022

Celeritas

Celeritas is a new Monte Carlo transport code designed for high-performance simulation of high-energy physics detectors.

Johnson, Seth R.↗

DOE OSTI2021

EMPIRE Simulations of the July 2020 photoelectron driven cavity B-Dot experiments at the National Ignition Facility

Simulations of several of the end-irradiated cylindrical photoelectron driven cavity experiments (also known as B-Dot cavities) that were fielded during the July 1 through 2, 2020 shot series at the National Ignition Facility are presented in this report with comparisons to experimental measurements. All cavity B-Dots fielded on the second, third, fourth, fifth and seventh shots were simulated using coupled Integrated Tiger Series (ITS) Monte Carlo transport codes and the Electromagnetic Plasmas in Realistic Environments (EMPIRE) electromagnetic particle-in-cell code.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

NASA NTRS2004

Update on the Status of the FLUKA Monte Carlo Transport Code

The FLUKA Monte Carlo transport code is a well-known simulation tool in High Energy Physics. FLUKA is a dynamic tool in the sense that it is being continually updated and improved by the authors. Here we review the progresses achieved in the last year on the physics models. From the point of view of hadronic physics, most of the effort is still in the field of nucleus--nucleus interactions. The currently available version of FLUKA already includes the internal capability to simulate inelastic nuclear interactions beginning with lab kinetic energies of 100 MeV/A up the the highest accessible energies by means of the DPMJET-II.5 event generator to handle the interactions for greater than 5 GeV/A and rQMD for energies below that. The new developments concern, at high energy, the embedding of the DPMJET-III generator, which represent a major change with respect to the DPMJET-II structure. This will also allow to achieve a better consistency between the nucleus-nucleus section with the original FLUKA model for hadron-nucleus collisions. Work is also in progress to implement a third event generator model based on the Master Boltzmann Equation approach, in order to extend the energy capability from 100 MeV/A down to the threshold for these reactions. In addition to these extended physics capabilities, structural changes to the programs input and scoring capabilities are continually being upgraded. In particular we want to mention the upgrades in the geometry packages, now capable of reaching higher levels of abstraction. Work is also proceeding to provide direct import into ROOT of the FLUKA output files for analysis and to deploy a user-friendly GUI input interface.

Pinsky, L.↗

NASA NTRS2006

Update On the Status of the FLUKA Monte Carlo Transport Code*

The FLUKA Monte Carlo transport code is a well-known simulation tool in High Energy Physics. FLUKA is a dynamic tool in the sense that it is being continually updated and improved by the authors. We review the progress achieved since the last CHEP Conference on the physics models, some technical improvements to the code and some recent applications. From the point of view of the physics, improvements have been made with the extension of PEANUT to higher energies for p, n, pi, pbar/nbar and for nbars down to the lowest energies, the addition of the online capability to evolve radioactive products and get subsequent dose rates, upgrading of the treatment of EM interactions with the elimination of the need to separately prepare preprocessed files. A new coherent photon scattering model, an updated treatment of the photo-electric effect, an improved pair production model, new photon cross sections from the LLNL Cullen database have been implemented. In the field of nucleus-- nucleus interactions the electromagnetic dissociation of heavy ions has been added along with the extension of the interaction models for some nuclide pairs to energies below 100 MeV/A using the BME approach, as well as the development of an improved QMD model for intermediate energies. Both DPMJET 2.53 and 3 remain available along with rQMD 2.4 for heavy ion interactions above 100 MeV/A. Technical improvements include the ability to use parentheses in setting up the combinatorial geometry, the introduction of pre-processor directives in the input stream. a new random number generator with full 64 bit randomness, new routines for mathematical special functions (adapted from SLATEC). Finally, work is progressing on the deployment of a user-friendly GUI input interface as well as a CAD-like geometry creation and visualization tool. On the application front, FLUKA has been used to extensively evaluate the potential space radiation effects on astronauts for future deep space missions, the activation dose for beam target areas, dose calculations for radiation therapy as well as being adapted for use in the simulation of events in the ALICE detector at the LHC.

Ferrari, A.↗

NASA NTRS2007

Quantifying Low Energy Proton Damage in Multijunction Solar Cells

An analysis of the effects of low energy proton irradiation on the electrical performance of triple junction (3J) InGaP2/GaAs/Ge solar cells is presented. The Monte Carlo ion transport code (SRIM) is used to simulate the damage profile induced in a 3J solar cell under the conditions of typical ground testing and that of the space environment. The results are used to present a quantitative analysis of the defect, and hence damage, distribution induced in the cell active region by the different radiation conditions. The modelling results show that, in the space environment, the solar cell will experience a uniform damage distribution through the active region of the cell. Through an application of the displacement damage dose analysis methodology, the implications of this result on mission performance predictions are investigated.

Messenger, Scott R.↗

NASA NTRS2009

Wake Encounter Analysis for a Closely Spaced Parallel Runway Paired Approach Simulation

A Monte Carlo simulation of simultaneous approaches performed by two transport category aircraft from the final approach fix to a pair of closely spaced parallel runways was conducted to explore the aft boundary of the safe zone in which separation assurance and wake avoidance are provided. The simulation included variations in runway centerline separation, initial longitudinal spacing of the aircraft, crosswind speed, and aircraft speed during the approach. The data from the simulation showed that the majority of the wake encounters occurred near or over the runway and the aft boundaries of the safe zones were identified for all simulation conditions.

Mckissick,Burnell T.↗

NASA NTRS2014

Evaluation of Fast-Time Wake Vortex Models using Wake Encounter Flight Test Data

This paper describes a methodology for the integration and evaluation of fast-time wake models with flight data. The National Aeronautics and Space Administration conducted detailed flight tests in 1995 and 1997 under the Aircraft Vortex Spacing System Program to characterize wake vortex decay and wake encounter dynamics. In this study, data collected during Flight 705 were used to evaluate NASA's fast-time wake transport and decay models. Deterministic and Monte-Carlo simulations were conducted to define wake hazard bounds behind the wake generator. The methodology described in this paper can be used for further validation of fast-time wake models using en-route flight data, and for determining wake turbulence constraints in the design of air traffic management concepts.

Ahmad, Nashat N.↗

DOE OSTI2021

A linked-scale coupled model of mass erosion and redistribution in plasma-exposed micro-foam surfaces

Surface evolution due to exposure to harsh environments is of importance in many scientific and technological applications. In plasma-exposed materials, the surface receives charged particles from the plasma, leading to a series of processes that drive the system far from equilibrium and may lead to the severe deterioration of the surface properties. Although surface morphological changes are driven by atomic collisions taking place over picoseconds and nanometers, these processes result in mass loss and redistribution of matter over much larger length and time scales. This necessitates a multi-scale approach capable of capturing the range of processes linking primary atomic collision events with engineering-level surface geometry changes. In this paper, we develop a computational model to simulate the morphological evolution and effective erosion rate of micro-architected tungsten foams during low-energy plasma ion bombardment. Furthermore, the model acts on several length scales, with the energy and angular dependence of the sputtering yield of flat tungsten surfaces determined using the SRIM code based on the binary collision approximation. This information is introduced into a low-fluence, short-term Monte Carlo raytracing model, and further into a high-fluence, long-term particle transport model. In the latter, material particles representing billions of atoms are described in a digitized 3-D representation of the foam structure from X-ray tomography data, and are sputtered off and redeposited using the atomistic information. We show that the redeposition of sputtered atoms leads to partial self-healing in the bottom layers with a sharp reduction in the sputtering coefficient of low density foams, roughly 25% of the solid W value. This is in qualitative agreement with recent experiments on low porosity W structures. At high fluence, the foam structure degrades considerably as there are fewer ligaments available to recapture sputtered atoms and, consequently, the sputtering rate increases again.

36 MATERIALS SCIENCE↗