Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “production simulation codes”

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 1,243 records · Page 69

Radiological characterization and Decommissioning of Research and Power Reactors - 15602

The production of the detailed activity and dose rate atlases (ADAs) is one of the indispensable measures in the decommissioning process of nuclear reactors which allows to determine the radiation field for optimal radiation protection as well as to quantify and characterize nuclear waste for disposal. High-detailed simulation models capable of performing neutron and radiation transport calculations at different levels of precision and details are applied for this purpose. Within the framework of the research project 'Decommissioning of Research and Power Reactors', funded by the German Federal Ministry of Education and Research (BMBF), and implemented by the Institute of Nuclear Engineering and Technology Transfer (NET) -RWTH Aachen, sophisticated simulation tools are developed. The enhances capability of these tools for the generation of the activity and dose rate distribution are tested and demonstrated on the shutdown German research reactor FRJ-2. To achieve the project goal different computational steps were required: 1. Development of a calculational CAD-based model for Monte Carlo neutron and gamma transport simulation using converter tool McCad 2. Design of the neutron source which reproduce the neutron distribution leaving the core 3. Enhancement of the simulation performance by using the hybrid deterministic Monte Carlo variance reduction methods 4. Calculation of N-flux distribution in the entire geometry 5. Development of couple codes between MCNP5 and the activation code ORIGEN2.2 This paper describes the main significant project milestones. (authors)

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

Monte Carlo Simulation of Nanoparticle Encapsulation in Flames

Two critical challenges facing the application of flames for synthesis of nanopowder materials are: (1) overcoming formation of agglomerates and (2) ensuring that the highly reactive nanopowders that are synthesized in flames can be produced in such a manner that their purity is maintained during subsequent processing. Agglomerates are produced in flames because particle formation occurs in a high temperature and high number density environment. They are undesirable in most advanced applications of powders. For example, agglomerates have a deleterious effect on compaction density, leading to voids when nanopowders are consolidated. Efforts to avoid agglomeration in flames without substantially reducing particle number density and, consequently, production rate, have had limited success. Powder purity must also be maintained during subsequent handling of nanopowders and this poses a significant challenge for any synthesis route because nanopowders, particularly metals and non-oxide ceramic powders, are inherently reactive. Impurities acquired during handling of nanopowders have slowed the advancement of the nanostructured materials industry. One promising approach that has been proposed to address these problems is nano-encapsulation. In this approach, the core particles are encapsulated in a removable material while they are within the flame but before excessive agglomeration has occurred. Condensation can be very rapid so that core particles are trapped within the condensed material and agglomeration is limited. Nano-encapsulation also addresses the handling concerns for post-synthesis processing. Results have shown that when nano-encapsulated powders are exposed to atmosphere the core particles are protected from oxidation and/or hydrolysis. Thus, handling of the powders does not require extreme care. If, for example, at the time of consolidation the encapsulation material is removed by vacuum annealing, the resulting powder remains unagglomerated and free of impurities. In this work, we described a novel aerosol model that has been developed to simulate particle encapsulation in flames. The model will ultimately be coupled to a one-dimensional spherical flame code and compared to results from microgravity flame experiments.

Sun, Z.↗

Fan-beam intensity modulated proton therapy

Purpose: This paper presents a concept for a proton therapy system capable of delivering intensity modulated proton therapy using a fan beam of protons. This system would allow present and future gantry-based facilities to deliver state-of-the-art proton therapy with the greater normal tissue sparing made possible by intensity modulation techniques.Methods: A method for producing a divergent fan beam of protons using a pair of electromagnetic quadrupoles is described and particle transport through the quadrupole doublet is simulated using a commercially available software package. To manipulate the fan beam of protons, a modulation device is developed. This modulator inserts or retracts acrylic leaves of varying thickness from subsections of the fan beam. Each subsection, or beam channel, creates what effectively becomes a beam spot within the fan area. Each channel is able to provide 0–255 mm of range shift for its associated beam spot, or stop the beam and act as an intensity modulator. Results of particle transport simulations through the quadrupole system are incorporated into the MCNPX Monte Carlo transport code along with a model of the range and intensity modulation device. Several design parameters were investigated and optimized, culminating in the ability to create topotherapy treatment plans using distal-edge tracking on both phantom and patient datasets.Results: Beam transport calculations show that a pair of electromagnetic quadrupoles can be used to create a divergent fan beam of 200 MeV protons over a distance of 2.1 m. The quadrupole lengths were 30 and 48 cm, respectively, with transverse field gradients less than 20 T/m, which is within the range of water-cooled magnets for the quadrupole radii used. MCNPX simulations of topotherapy treatment plans suggest that, when using the distal edge tracking delivery method, many delivery angles are more important than insisting on narrow beam channel widths in order to obtain conformal target coverage. Overall, the sharp distal falloff of a proton depth-dose distribution was found to provide sufficient control over the dose distribution to meet objectives, even with coarse lateral resolution and channel widths as large as 2 cm. Treatment plans on both phantom and patient data show that dose conformity suffers when treatments are delivered from less than approximately ten angles. Treatment time for a sample prostate delivery is estimated to be on the order of 10 min, and neutron production is estimated to be comparable to that found for existing collimated systems.Conclusions: Fan beam proton therapy is a method of delivering intensity modulated proton therapy which may be employed as an alternative to magnetic scanning systems. A fan beam of protons can be created by a set of quadrupole magnets and modified by a dual-purpose range and intensity modulator. This can be used to deliver inversely planned treatments, with spot intensities optimized to meet user defined dose objectives. Additionally, the ability of a fan beam delivery system to effectively treat multiple beam spots simultaneously may provide advantages as compared to spot scanning deliveries.

61 RADIATION PROTECTION AND DOSIMETRY↗

Transmutation Analysis of Enriched Uranium and Deep Burn High Temperature Reactors

High temperature reactors (HTRs) have been under consideration for production of electricity, process heat, and for destruction of transuranics for decades. As part of the transmutation analysis efforts within the Fuel Cycle Research and Development (FCR&D) campaign, a need was identified for detailed discharge isotopics from HTRs for use in the VISION code. A conventional HTR using enriched uranium in UCO fuel was modeled having discharge burnup of 120 GWd/MTiHM. Also, a deep burn HTR (DB-HTR) was modeled burning transuranic (TRU)-only TRU-O2 fuel to a discharge burnup of 648 GWd/MTiHM. For each of these cases, unit cell depletion calculations were performed with SCALE/TRITON. Unit cells were used to perform this analysis using SCALE 6.1. Because of the long mean free paths (and migration lengths) of neutrons in HTRs, using a unit cell to represent a whole core can be non-trivial. The sizes of these cells were first set by using Serpent calculations to match a spectral index between unit cell and whole core domains. In the case of the DB-HTR, the unit cell which was arrived at in this way conserved the ratio of fuel to moderator found in a single block of fuel. In the conventional HTR case, a larger moderator-to-fuel ratio than that of a single block was needed to simulate the whole core spectrum. Discharge isotopics (for 500 nuclides) and one-group cross-sections (for 1022 nuclides) were delivered to the transmutation analysis team. This report provides documentation for these calculations. In addition to the discharge isotopics, one-group cross-sections were provided for the full list of 1022 nuclides tracked in the transmutation library.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Propagation And Damping Of High Harmonic Fast Waves And Electron Cyclotron Waves In The Nstx-U-Device

For the spherical torus and for conventional tokamaks to be viable means of producing fusion energy there are two important requirements. The first is to heat the plasma in the experimental devices to high temperatures; preferably, to fusion relevant temperatures. The second is to drive a current in the plasma so that the fusion device operates in a steady-state mode. A pulsed fusion reactor for energy production is not desirable. A favored means to achieve both of these requirements is through the use of microwaves, commonly referred to as radio frequency waves. This proposal was to understand observations from the National Spherical Torus Experiment Upgrade (NSTX-U) device on radio frequency wave heating of the confined plasma during operations with high harmonic fast waves. The proposed research was also directed toward assisting in the optimization of the experimental modes of operation so as to maximize the heating efficiency. A detailed analysis of the experiments has shown that about one-third of the input radio frequency power does not make it into the core region of the plasma where heating is required. The losses are believed to occur primarily in the edge region where the radio frequency power is initially coupled into the plasma. Using sophisticated computational codes and theoretical models, that have been developed for the NSTX-U experimental program, this research quantified the physical processes which occur in the edge plasma and lead to a decrease in the heating efficiency. The effect of edge turbulence on the scattering of radio frequency waves was studied for waves in the ion cyclotron and electron cyclotron range of frequencies. For high harmonic fast waves in the ion cyclotron range of frequencies, simulations were carried out using a full-wave solver that was extended to the vacuum vessel wall. These simulations successfully reproduced trends that were observed experimentally. This simulation capability was also used to study the interaction of high harmonic fast waves with the scrape-off layer plasma. More recently, a new technique has been developed for the calculation of radio frequency waves in toroidal geometry that enables the simultaneous incorporation of antenna geometry, plasma facing components, the scrape off-layer, and core propagation in the high harmonic fast wave regime. The effect of turbulent plasmas on the mode conversion of extraordinary electromagnetic waves in the electron cyclotron range of frequencies in the NSTX-U plasma has been studied theoretically. In the over-dense plasmas of NSTX-U, the traditional electromagnetic waves are not effective for delivering energy and momentum to the core plasma. However, electron Bernstein waves generated by mode conversion are efficient carriers of wave energy and momentum to the core. The mode conversion occurs in the turbulent edge region. A theory for mode conversion in such plasmas has been developed. The parameters that can optimize the mode conversion can be readily determined. Also, the model is useful for experimentalists to analyze observation on a shot-to-shot basis.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Propagation And Damping Of High Harmonic Fast Waves And Electron Cyclotron Waves In The Nstx-U-Device

For the spherical torus and for conventional tokamaks to be viable means of producing fusion energy there are two important requirements. The first is to heat the plasma in the experimental devices to high temperatures; preferably, to fusion relevant temperatures. The second is to drive a current in the plasma so that the fusion device operates in a steady-state mode. A pulsed fusion reactor for energy production is not desirable. A favored means to achieve both of these requirements is through the use of microwaves, commonly referred to as radio frequency waves. This proposal was to understand observations from the National Spherical Torus Experiment Upgrade (NSTX-U) device on radio frequency wave heating of the confined plasma during operations with high harmonic fast waves. The proposed research was also directed toward assisting in the optimization of the experimental modes of operation so as to maximize the heating efficiency. A detailed analysis of the experiments has shown that about one-third of the input radio frequency power does not make it into the core region of the plasma where heating is required. The losses are believed to occur primarily in the edge region where the radio frequency power is initially coupled into the plasma. Using sophisticated computational codes and theoretical models, that have been developed for the NSTX-U experimental program, this research quantified the physical processes which occur in the edge plasma and lead to a decrease in the heating efficiency. The effect of edge turbulence on the scattering of radio frequency waves was studied for waves in the ion cyclotron and electron cyclotron range of frequencies. For high harmonic fast waves in the ion cyclotron range of frequencies, simulations were carried out using a full-wave solver that was extended to the vacuum vessel wall. These simulations successfully reproduced trends that were observed experimentally. This simulation capability was also used to study the interaction of high harmonic fast waves with the scrape-off layer plasma. More recently, a new technique has been developed for the calculation of radio frequency waves in toroidal geometry that enables the simultaneous incorporation of antenna geometry, plasma facing components, the scrape off-layer, and core propagation in the high harmonic fast wave regime. The effect of turbulent plasmas on the mode conversion of extraordinary electromagnetic waves in the electron cyclotron range of frequencies in the NSTX-U plasma has been studied theoretically. In the over-dense plasmas of NSTX-U, the traditional electromagnetic waves are not effective for delivering energy and momentum to the core plasma. However, electron Bernstein waves generated by mode conversion are efficient carriers of wave energy and momentum to the core. The mode conversion occurs in the turbulent edge region. A theory for mode conversion in such plasmas has been developed. The parameters that can optimize the mode conversion can be readily determined. Also, the model is useful for experimentalists to analyze observation on a shot-to-shot basis.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Development of mathematical model and simulation tool for the high capacity production of carbon fiber

Weight reduction in the transportation is the most effective way for reducing fuel consumption. Carbon fiber composites have been increasingly used by automotive manufacturers in vehicle nonstructural and structural parts. Larger penetration of carbon fiber-based materials requires very large quantities of fiber at a low price, and of consistently high quality. The advancements in carbon fiber technology that are required to achieve this production scale-up and cost reduction, are very challenging. The most expensive production step is the conversion of textile-grade polyacrylonitrile (PAN) precursor to carbon fiber. The conversion takes place in three main stages: stabilization, low and high temperature carbonization. Most of the research to date has focused on the stabilization of the PAN precursors and oxidized PAN fibers. Comparingly little effort has been dedicated to the investigation of processing conditions during low temperature (LT) carbonization. During this stage of fiber conversion, the largest fiber mass loss occurs, and the fundamental carbon fiber structure and material properties are established. The understanding of the conversion processes in the LT furnace, and the effects of spatial and temporal variations of the LT process parameters on the carbon fiber properties are necessary to identify possible process improvements and cost savings. The objective of this research was to develop computational models for gas flow and energy transport in the gas and fiber phases of the LT furnace, and to couple them with the fiber conversion process models. The model is implemented in the three-dimensional framework that enables analysis of process condition variations in all directions. The formulation is based on modified transport equation to simulate steady state conditions and thus significantly reduce computational effort associated with transient methods. The model is implemented in open source computational fluid dynamics (CFD) code OpenFOAM. The model has been demonstrated on a prototype carbon fiber LT furnace and can be extended to other geometries and process conditions. Extensions to other physical effects, such as accounting evolution of multiple gas species, and fiber tensioning are straightforward. The model uses High Performance Computing (HPC) capabilities of OpenFOAM and can be implemented on multi-processor workstations or mid-size computer clusters common in the industrial setting.

36 MATERIALS SCIENCE↗

A Hydro-particle-mesh Code for Efficient and Rapid Simulations of the Intracluster Medium

We introduce the cosmological HYPER code based on an innovative hydro-particle-mesh (HPM) algorithm for efficient and rapid simulations of gas and dark matter. For the HPM algorithm, we update the approach of Gnedin & Hui to expand the scope of its application from the lower-density intergalactic medium (IGM) to the higher-density intracluster medium (ICM). While the original algorithm tracks only one effective particle species, the updated version separately tracks the gas and dark matter particles, as they do not exactly trace each other on small scales. For the approximate hydrodynamics solver, the pressure term in the gas equations of motion is calculated using robust physical models. In particular, we use a dark matter halo model, ICM pressure profile, and IGM temperature–density relation, all of which can be systematically varied for parameter-space studies. We show that the HYPER simulation results are in good agreement with the halo model expectations for the density, temperature, and pressure radial profiles. Simulated galaxy cluster scaling relations for Sunyaev–Zel’dovich (SZ) and X-ray observables are also in good agreement with mean predictions, with scatter comparable to that found in hydrodynamic simulations. HYPER also produces lightcone catalogs of dark matter halos and full-sky tomographic maps of the lensing convergence, SZ effect, and X-ray emission. These simulation products are useful for testing data analysis pipelines, generating training data for machine learning, understanding selection and systematic effects, and for interpreting astrophysical and cosmological constraints.

79 ASTRONOMY AND ASTROPHYSICS↗

Development and evaluation of a variably saturated flow model in the global E3SM Land Model (ELM) version 1.0

Abstract. Improving global-scale model representations of near-surface soil moisture and groundwater hydrology is important for accurately simulating terrestrial processes and predicting climate change effects on water resources. Most existing land surface models, including the default E3SM Land Model (ELMv0), which we modify here, routinely employ different formulations for water transport in the vadose and phreatic zones. Clark et al. (2015) identified a variably saturated Richards equation flow model as an important capability for improving simulation of coupled soil moisture and shallow groundwater dynamics. In this work, we developed the Variably Saturated Flow Model (VSFM) in ELMv1 to unify the treatment of soil hydrologic processes in the unsaturated and saturated zones. VSFM was tested on three benchmark problems and results were evaluated against observations and an existing benchmark model (PFLOTRAN). The ELMv1-VSFM's subsurface drainage parameter, fd, was calibrated to match an observationally constrained and spatially explicit global water table depth (WTD) product. Optimal spatially explicit fd values were obtained for 79 % of global 1.9∘ × 2.5∘ grid cells, while the remaining 21 % of global grid cells had predicted WTD deeper than the observationally constrained estimate. Comparison with predictions using the default fd value demonstrated that calibration significantly improved predictions, primarily by allowing much deeper WTDs. Model evaluation using the International Land Model Benchmarking package (ILAMB) showed that improvements in WTD predictions did not degrade model skill for any other metrics. We evaluated the computational performance of the VSFM model and found that the model is about 30 % more expensive than the default ELMv0 with an optimal processor layout. The modular software design of VSFM not only provides flexibility to configure the model for a range of problem setups but also allows for building the model independently of the ELM code, thus enabling straightforward testing of the model's physics against other models.

58 GEOSCIENCES↗

Spinbox: tools for many-body quantum systems in a Monte Carlo context

Spinbox is a piece of software that facilitates quantum mechanical calculations relevant to Monte Carlo simulation of atomic nuclei. At the front lines of research on the nuclear many-body problem are a large number of supercomputer-scale simulation codes. These codes produce valuable results but can be hard to understand, especially for those without intimate knowledge of the relevant theoretical methods. Thus, tools that fill pedagogical roles are extremely valuable. Spinbox makes it easy for one to replicate and analyze the computational processes relevant to a Quantum Monte Carlo (QMC) simulation that may be difficult to understand/debug/analyze due to the scale of the corresponding simulation software. Spinbox is written in Python using other state-of-the-art Python modules for numerical calculations. While a number of Python libraries exist that are suited to general quantum many-body calculations, the motivation of Spinbox is quite particular. In Diffusion Monte Carlo methods (DMC, GFMC, AFDMC), the central calculation is the imaginary-time propagation of individual samples of the many-body wavefunction. Although quantum wavefunctions generally must be described by a probability distribution over a basis, DMC imbues particles (within one sample) with classical spatial coordinates. This method is unusual, so other Python packages are typically not set up to do this easily. Furthermore, the software has built-in options for nuclear systems assuming isospin symmetry, which can be set up with other libraries but is a nontrivial process to do so. Features: - numerical representation of samples of the many-body wavefunctions, including tensor-product states (used in AFDMC) - numerical representation of many-body operators, including tensor-product operators: general, spin, imaginary-time propagation, etc. - the correct associated arithmetic and algebra, implemented as class methods - classes for representing realistic nuclear two- and three-body Hamiltonians (e.g. Argonne V18, Illinois NNN) - large-scale parallel integration over random variables, crucial for the AFDMC method My goal is to make this package open source so that anyone may use it and contribute to it, particularly other researchers doing AFDMC calculations

Fox, Jordan↗

Fukushima Daiichi Unit 1 Accident Progression Uncertainty Analysis and Implications for Decommissioning of Fukushima Reactors - Volume I.

Sandia National Laboratories (SNL) has conducted an uncertainty analysis (UA) on the Fukushima Daiichi unit (1F1) accident progression with the MELCOR code. The model used was developed for a previous accident reconstruction investigation jointly sponsored by the US Department of Energy (DOE) and Nuclear Regulatory Commission (NRC). That study focused on reconstructing the accident progressions, as postulated by the limited plant data. This work was focused evaluation of uncertainty in core damage progression behavior and its effect on key figures-of-merit (e.g., hydrogen production, reactor damage state, fraction of intact fuel, vessel lower head failure). The primary intent of this study was to characterize the range of predicted damage states in the 1F1 reactor considering state of knowledge uncertainties associated with MELCOR modeling of core damage progression and to generate information that may be useful in informing the decommissioning activities that will be employed to defuel the damaged reactors at the Fukushima Daiichi Nuclear Power Plant. Additionally, core damage progression variability inherent in MELCOR modeling numerics is investigated.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

Adaptation of SUBSTOR for controlled-environment potato production with elevated carbon dioxide

The SUBSTOR crop growth model was adapted for controlled-environment hydroponic production of potato (Solanum tuberosum L. cv. Norland) under elevated atmospheric carbon dioxide concentration. Adaptations included adjustment of input files to account for cultural differences between the field and controlled environments, calibration of genetic coefficients, and adjustment of crop parameters including radiation use efficiency. Source code modifications were also performed to account for the absorption of light reflected from the surface below the crop canopy, an increased leaf senescence rate, a carbon (mass) balance to the model, and to modify the response of crop growth rate to elevated atmospheric carbon dioxide concentration. Adaptations were primarily based on growth and phenological data obtained from growth chamber experiments at Rutgers University (New Brunswick, N.J.) and from the modeling literature. Modified-SUBSTOR predictions were compared with data from Kennedy Space Center's Biomass Production Chamber for verification. Results show that, with further development, modified-SUBSTOR will be a useful tool for analysis and optimization of potato growth in controlled environments.

NASA Discipline Life Support Systems↗

A high-fidelity method to analyze perturbation evolution in turbulent flows

Small perturbation propagation in fluid flows is usually examined by linearizing the governing equations about a steady basic state. It is often useful, however, to study perturbation evolution in the unsteady evolving turbulent environment. Such analyses can elucidate the role of perturbations in the generation of coherent structures or the production of noise from jet turbulence. The appropriate equations are still the linearized Navier–Stokes equations, except that the linearization must be performed about the instantaneous evolving turbulent state, which forms the coefficients of the linearized equations. This is a far more difficult problem since in addition to the turbulent state, its rate of change and the perturbation field are all required at each instant. In this paper, we develop and use a novel technique for this problem by using a pair (denoted “baseline” and “twin”) of simultaneous synchronized Large-Eddy Simulations (LES). At each time-step, small disturbances whose propagation characteristics are to be studied, are introduced into the twin through a forcing term. At subsequent time steps, the difference between the two simulations is shown to be equivalent to solving the forced Navier–Stokes equations, linearized about the instantaneous turbulent state. The technique does not put constraints on the forcing, which could be arbitrary, e.g., white noise or other stochastic variants. We consider, however, “native” forcing having properties of disturbances that exist naturally in the turbulent environment. The method then isolates the effect of turbulence in a particular region on the rest of the field, which is useful in the study of noise source localization. The synchronized technique is relatively simple to implement into existing codes. In addition to minimizing the storage and retrieval of large time-varying datasets, it avoids the need to explicitly linearize the governing equations, which can be a very complicated task for viscous terms or turbulence closures. The method is illustrated by application to a well-validated Mach 1.3 jet. Specifically, the effects of turbulence on the jet lipline and core collapse regions on the near-acoustic field are isolated. The properties of the method, including linearity and effect of initial transients, are discussed. The results provide insight into how turbulence from different parts of the jet contribute to the observed dominance of low and high frequency content at shallow and sideline angles, respectively.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

MCNP6 enhancements of delayed-particle production

Over the last decade, there has been an increased interest in the production of delayed-particle signatures from neutron and photon interactions with matter. To address this interest, various radiation transport codes have developed a wide range of delayed-particle physics packages. With the recent merger of the Monte Carlo transport codes MCNP5 and MCNPX, MCNP6 inherited the comprehensive model-based delayed-particle production capabilities developed in MCNPX over the last few years. An integral part of this capability consists of the depletion code CINDER90 which was incorporated into MCNPX in 2004. During this last year, significant improvements have been made to the MCNP6 physics and algorithms associated with delayed-particle production, including the development of a delayed-beta capability, an algorithm enhancement for the delayed-neutron treatment, and a database enhancement for delayed-gamma emission. The delayed-beta feature represents an important component in modeling background signals produced by active interrogation sources. Combined, these improvements provide MCNP6 with a flexible state-of-the-art physics package for generating high-fidelity signatures from fission and activation. This paper provides details of these enhancements and presents results for a variety of fission and activation examples. (authors)

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Implementation of a generalized coherent elastic scattering formulation for thermal neutron scattering analysis - 14487

The scattering interactions of thermal neutrons in matter are classified into inelastic and elastic components. In crystalline materials, coherent elastic scattering represents a dominant form of interaction. Traditionally, the treatment of this interaction in standard computer codes (e.g., the LEAPR module of the NJOY code system) was performed within the cubic approximation and restricted the analyst to a few materials that were hardwired into the code. In general, these restrictions can hinder the production of ENDF style thermal neutron scattering libraries for new materials outside the current portfolio of treated materials. In this work, a general formulation based on the exact theory of coherent elastic scattering was developed. This formulation is capable of processing the crystalline structure of any material. The cubic approximation is relaxed by accounting for the partial forces from asymmetric crystal structures in the calculation. The atom sites approximation is relaxed by utilizing a site-wise Debye-Waller factor. Specifically, the Debye-Waller factor is no longer regarded as a uniform constant across the crystal but treated as a matrix tensor that uses the integral of the partial phonon density of states. Therefore, the calculation of the coherent elastic scattering cross section is executed by applying the matrix-form of the Debye-Waller factor on each reciprocal space point and summing them up. Furthermore, the developed algorithm supports compounds with any number of elements and of any ratio to each other. This general formulation was successfully implemented and contributed to the production of ENDF style thermal neutron scattering libraries for silicon dioxide (α-SiO{sub 2}) and silicon carbide (3C-SiC). The needed input for the analysis was generated using density functional theory (DFT) atomistic simulations and dynamical matrix calculations for both materials. (authors)

42 ENGINEERING↗

Numerical Modeling of Complex Targets for High-Energy- Density Experiments with Ion Beams and other Drivers

We explore the simulation challenges and requirements for experiments planned on facilities such as the NDCX-II ion accelerator at LBNL, currently undergoing commissioning. Hydrodynamic modeling of NDCX-II experiments include certain lower temperature effects, e.g., surface tension and target fragmentation, that are not generally present in extreme high-energy laser facility experiments, where targets are completely vaporized in an extremely short period of time. Target designs proposed for NDCX-II range from metal foils of order one micron thick (thin targets) to metallic foam targets several tens of microns thick (thick targets). These high-energy-density experiments allow for the study of fracture as well as the process of bubble and droplet formation. We incorporate these physics effects into a code called ALE-AMR that uses a combination of Arbitrary Lagrangian Eulerian hydrodynamics and Adaptive Mesh Refinement. Inclusion of certain effects becomes tricky as we must deal with non-orthogonal meshes of various levels of refinement in three dimensions. A surface tension model used for droplet dynamics is implemented in ALE-AMR using curvature calculated from volume fractions. Thick foam target experiments provide information on how ion beam induced shock waves couple into kinetic energy of fluid flow. Although NDCX-II is not fully commissioned, experiments are being conducted that explore material defect production and dynamics.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

VIPER Lunar Rover Agile Mission Systems

Agile development methods, which have gone from outlier to mainstream in software development, are poised to expand into all aspects of space mission development. Modern software development operates on a principle of continuous deployment, where progress is verified not with conventional metrics, but with a continuous build, available to key stakeholders, enabling direct examination of the state of the code base, and assessment of progress through demonstration of capability. Delivery times are measured in weeks, not months. Stakeholders are part of the process on an ongoing basis. The cost of change is comparatively low and requirements, which often are not precisely defined at the start of a project, may be iteratively refined in a series of agile development cycles. Agile methods are compatible with traditional system engineering methods and may be tailored to the space operations environment. The low cost of change and iterative development cycles of agile enable requirements to be defined as outcomes and constraints, with design details to be refined during the development cycle. We are now at a point where agile methods may be extended beyond software, to Mission Systems, including the Mission Operations System and the Ground Data System. For NASA’s VIPER Lunar Rover Mission, scheduled to land at a lunar pole in late 2023, we are developing the Mission System using agile methods. As in agile software, where the measure of progress is working code, in agile mission system development, the measure of capability is what we can demonstrate. Demonstrations over presentations. We demonstrate mission system capability using simulations. The concept of operations, from commanding, to driving the rover, to how we downlink images for evaluation for a near-real time command cycle, will be tested and proven in simulation, years before we begin the traditional simulation cycle for training. “Say it then simulate it.” We develop and refine our designs using simulations, with an emphasis on new components of the system that are not well known early. For example, the required duration of a mission planning cycle for a lunar surface asset such as VIPER, that operates twenty-four hours a day, seven days a week, with continuous communications and a unique set of constraints based on the physics of the lunar poles and the line of site to Earth, is a unique problem in mission planning that is unlikely to be solved in a series of meetings. A small number of requirements specifying the outcomes may serve as the jumping off point to an agile development cycle, with demonstration in simulations. We have already demonstrated this process with simulations of rover driver decision time. VIPER is driven using near-real time command and control to waypoints. The driver decision time between waypoints is a fundamental enabling unit of productivity to accomplish the mission timeline. We have validated driver decision time in simulations of rover driving at the lunar South Pole, using the prototype mission tools for driving, command and control. The capability to develop and refine designs using simulations as part of agile Mission System development cycle changes the nature of team interactions, creating a focus on doing, rather than analyzing and documenting. Waterfall development cycles were, in part, a product of the significant cost of change in the early days of spaceflight. When the cost of change is high, it is vital to get your requirements right at the outset, because the system will be built to those specifications, and, when change is expensive, you better get it right early. However, modern technology has greatly lowered the cost of change, enabling iterative, rapid development cycles, in which key operations concepts may be tested and refined during development. Extending agile development to the Mission System for VIPER is a significant step in moving agile development methods for space operations beyond software, to the Mission System.

Agile↗

"Source Term Modeling for Advanced Gas Micro-Reactors"

Maintaining the safety of the public, environment, and operating personnel is the most important factor in designing, operating, maintaining, and decommissioning nuclear reactors. In recent years, there has been a growing interest in the development of micro-reactors employing TRi-structural ISOtropic (TRISO)-coated particle fuel. In gas reactors, TRISO fuel plays an important role in the safety case for high temperature reactors because of the fission product retention properties of the fuel. This ability enables the use of a functional containment strategy for the reactor where multiple barriers are used to prevent fission product release to the environment. Part of the safety analysis of these advanced reactors is the assessment of radionuclide releases under normal and accident conditions through the multiple credited safety barriers. Using conservative assumptions, a mechanistic analysis can be performed to quantify these releases that combines the probabilistic assessment of failure with analytic solutions to radionuclide transport equations. Source term modeling for TRISO fuel has been performed for previous reactor designs; however, these models are outdated, in many cases proprietary, and need updates to be applied to the current state of TRISO fuel technology and alternative gas reactor core configurations [1]. Currently, the only publicly available source term assessment for gas reactors is an expert-based Monte Carlo simulation based on the effectiveness of the fuel kernel, coating layers, and graphite block in a modular high temperature gas reactor [2]. Thus, there is a need to develop a simple, versatile, and mechanistic model of fission product release and transport in gas reactor cores that could be applied to a variety of reactors through user inputs and reactor-specific radionuclide inventories. The release is calculated by the diffusion of the key safety important fission products through the kernel, silicon carbide (SiC), graphite for both intact and defective TRISO particles based on fuel and graphite temperatures in the reactor under normal operation. These releases from the fuel enter the coolant where they can plate-out on cooler surfaces. A clean-up model is included for designs with a coolant purification system to remove fission gases. This initial distribution of fission products in the reactor serves as an initial condition for potential releases under postulated accident conditions. The model then can calculate the fission product release for any transient temperature profile and fission product releases can then be used to assess radiological dose to the workers and the public using conventional dose tools. Data on the diffusion of fission products is based on historic German TRISO experiments and the more current Department of Energy (DOE) Advanced Gas Reactor (AGR) TRISO fuel development program. The model is coded in python with inputs and outputs in excel spreadsheets, as well as python plotting utilities to aid in the interpretation of the results. References: [1] INL, NGNP Mechanistic Source Term White Paper, INL-10-17997, July 2010. [2] David A. Petti, Richard R. Hobbins, Peter Lowry, Hans Gougar, “Representative Source Terms and The Influence of Reactor Attributes on Functional Containment in Modular High Temperature Gas-cooled Reactors,” Nuclear Technology, Vol. 184, p. 181-197, Nov. 2013.

07 ISOTOPE AND RADIATION SOURCES↗