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NASA NTRS2016

Simulation of Mission Phases

This position with the Simulation and Graphics Branch (ER7) at Johnson Space Center (JSC) provided an introduction to vehicle hardware, mission planning, and simulation design. ER7 supports engineering analysis and flight crew training by providing high-fidelity, real-time graphical simulations in the Systems Engineering Simulator (SES) lab. The primary project assigned by NASA mentor and SES lab manager, Meghan Daley, was to develop a graphical simulation of the rendezvous, proximity operations, and docking (RPOD) phases of flight. The simulation is to include a generic crew/cargo transportation vehicle and a target object in low-Earth orbit (LEO). Various capsule, winged, and lifting body vehicles as well as historical RPOD methods were evaluated during the project analysis phase. JSC core mission to support the International Space Station (ISS), Commercial Crew Program (CCP), and Human Space Flight (HSF) influenced the project specifications. The simulation is characterized as a 30 meter +V Bar and/or -R Bar approach to the target object's docking station. The ISS was selected as the target object and the international Low Impact Docking System (iLIDS) was selected as the docking mechanism. The location of the target object's docking station corresponds with the RPOD methods identified. The simulation design focuses on Guidance, Navigation, and Control (GNC) system architecture models with station keeping and telemetry data processing capabilities. The optical and inertial sensors, reaction control system thrusters, and the docking mechanism selected were based on CCP vehicle manufacturer's current and proposed technologies. A significant amount of independent study and tutorial completion was required for this project. Multiple primary source materials were accessed using the NASA Technical Report Server (NTRS) and reference textbooks were borrowed from the JSC Main Library and International Space Station Library. The Trick Simulation Environment and User Training Materials version 2013.0 release was used to complete the Trick tutorial. Multiple network privilege and repository permission requests were required in order to access previous simulation models. The project was also an introduction to computer programming and the Linux operating system. Basic C++ and Python syntax was used during the completion of the Trick tutorial. Trick's engineering analysis and Monte Carlo simulation capabilities were observed and basic space mission planning procedures were applied in the conceptual design phase. Multiple professional development opportunities were completed in addition to project duties during this internship through the System for Administration, Training, and Education Resources for NASA (SATERN). Topics include: JSC Risk Management Workshop, CCP Risk Management, Basic Radiation Safety Training, X-Ray Radiation Safety, Basic Laser Safety, JSC Export Control, ISS RISE Ambassador, Basic SharePoint 2013, Space Nutrition and Biochemistry, and JSC Personal Protective Equipment. Additionally, this internship afforded the opportunity for formal project presentation and public speaking practice. This was my first experience at a NASA center. After completing this internship I have a much clearer understanding of certain aspects of the agency's processes and procedures, as well as a deeper appreciation from spaceflight simulation design and testing. I will continue to improve my technical skills so that I may have another opportunity to return to NASA and Johnson Space Center.

Carlstrom, Nicholas Mercury↗

DOE OSTI2019

A Salt Repository Concept for CSNF in 21-PWR Size Canisters

The most straightforward concept for disposal of large, heavy packages containing commercial spent nuclear fuel (CSNF) in a repository in bedded salt, would be to emplace them directly on the floor in emplacement tunnels. In-tunnel axially aligned horizontal emplacement would minimize excavated volume and avoid drilling of large-diameter emplacement boreholes. A similar concept was proposed in Germany for direct disposal of POLLUX ® canisters. The repository would be constructed at a depth of 500 to 1,000 m for isolation from the surface, and for sufficient overburden stress to ensure creep reconsolidation of repository openings. It could entail modular panels of emplacement tunnels arranged on headings oriented in cardinal directions from a central core, to accommodate the estimated 140,000 MTU total U.S. CSNF inventory. To do so, the overall area of the repository layout would be approximately 20 km 2 . Many layouts are possible, but the approach should be modular, excavation should be deferred for as long as possible to avoid maintenance, and the emplacement areas should share support facilities and shafts. Vertical shafts would be used in accordance with mining practice in sedimentary basins. Large diameter shafts would be needed for ventilation exhaust and waste transport, with smaller shafts for waste salt removal, men & materials, and ventilation intake. The spacing between disposal tunnels as estimated from thermal modeling, seeks to limit the maximum average areal thermal load in the panels to 11 W/m 2 to control long-term heat buildup in the host rock. Peak salt temperature would occur within a few years and would be dominated by each waste package locally, simplifying thermal management. There would be some flexibility to decrease the package spacing or increase the emplacement thermal power limit Backfilling emplaced waste packages immediately with mine-run crushed salt would provide shielding and expedite reconsolidation. This arrangement would isolate adjacent waste packages from one another by the intervening backfill, especially after it reconsolidates and its properties approach those of intact salt. After the repository is fully loaded and the performance confirmation program is complete, activities to permanently close the repository would be initiated. During closure operations all openings in the host salt would be backfilled, then shafts would be sealed, and boreholes plugged. Plans for the Waste Isolation Pilot Plant (WIPP) show how sealing and plugging could be done. A monitoring program could continue for 50 years or longer after repository closure. With an emplacement thermal power limit of 10 kW per waste package, nearly all the CSNF that is projected to be produced by the current fleet of reactors in the U.S. could be emplaced over a period of approximately 50 years starting in calendar 2048. No barriers to implementation in a reasonable timeframe have been identified from this generic analysis. Engineering challenges include: 1) shaft construction; 2) a very-large capacity shaft hoist; 3) overpack design; 4) a transport-emplacement-vehicle (TEV) for transporting waste packages once they are underground and emplacing them remotely; and 5) remotely operated equipment for emplacing backfill. The method of shaft construction would depend on site-specific conditions, and could involve freezing the subsurface. A shaft hoist with payload capacity of 175 MT seems technically and economically feasible based on development work in Germany, and it would be the largest hoist of its kind. The function of disposal overpacks would be to provide reliable containment during repository operations, which could be accomplished using a corrosion allowance material such as a low-carbon steel. Development effort would be needed to determine overpack thickness (e.g., 7 to 20 cm) that can resist corrosion and loading from salt creep, to rovide containment throughout the repository operational period. The transport-emplacement vehicle (TEV) would be similar to previous concepts, particularly one option proposed for a Yucca Mountain repository. It would move over a rough salt floor on independently driven and steered wheels, and carry heavy shielding in addition to a waste package. By analogy to the safety case for the WIPP in New Mexico, human intrusion is likely to be the dominant mode of radionuclide release from the repository. Treatment of human intrusion for a CSNF repository in salt could depend on promulgation of site-specific changes in the regulations. Radionuclide release and migration would be quite limited for undisturbed conditions. There may be opportunities for improved understanding of salt performance with waste heating, based on future in situ testing in an underground salt research laboratory. This report also discusses a developing area of salt rock mechanics that involves low-stress, low strain-rate creep that might cause large, heavy waste packages to slowly sink. Site-specific sampling, testing, and modeling would be used to determine if the mechanism is important enough to merit consideration in design, or inclusion in performance assessment. Part of engineering design and postclosure safety assessment for a CSNF repository in salt would be to implement a methodology to show that the probability of a criticality event in the repository, when waste packages eventually breach and are flooded, is less than the probability screening threshold for performance assessment. In the methodology, a criticality analysis would be performed for waste packages in the repository, incorporating measures that could be introduced as needed to limit reactivity, for example using fuel selection and loading rules, and crediting the absorption of thermal neutrons by natural chlorine in the environment. A similar analysis has been underway for CSNF stored in dual-purpose canisters. Ideally the strategy would be developed prior to actually loading SNF assemblies into canisters used in waste packages for disposal.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

DOE OSTI2013

Multi-water-bag models of ion temperature gradient instability in cylindrical geometry

Ion temperature gradient instabilities play a major role in the understanding of anomalous transport in core fusion plasmas. In the considered cylindrical geometry, ion dynamics is described using a drift-kinetic multi-water-bag model for the parallel velocity dependency of the ion distribution function. In a first stage, global linear stability analysis is performed. From the obtained normal modes, parametric dependencies of the main spectral characteristics of the instability are then examined. Comparison of the multi-water-bag results with a reference continuous Maxwellian case allows us to evaluate the effects of discrete parallel velocity sampling induced by the Multi-Water-Bag model. Differences between the global model and local models considered in previous works are discussed. Using results from linear, quasilinear, and nonlinear numerical simulations, an analysis of the first stage saturation dynamics of the instability is proposed, where the divergence between the three models is examined.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2016

Direct observation of ring-opening dynamics in strong-field ionized selenophene using femtosecond inner-shell absorption spectroscopy

Femtosecond extreme ultraviolet transient absorption spectroscopy is used to explore strong-field ionization induced dynamics in selenophene (C 4 H 4 Se). The dynamics are monitored in real-time from the viewpoint of the Se atom by recording the temporal evolution of element-specific spectral features near the Se 3d inner-shell absorption edge (~58 eV). The interpretation of the experimental results is supported by first-principles time-dependent density functional theory calculations. The experiments simultaneously capture the instantaneous population of stable molecular ions, the emergence and decay of excited cation states, and the appearance of atomic fragments. The experiments reveal, in particular, insight into the strong-field induced ring-opening dynamics in the selenophene cation, which are traced by the emergence of non-cyclic molecules as well as the liberation of Se + ions within an overall time scale of approximately 170 fs. In this study, we propose that both products may be associated with dynamics on the same electronic surfaces but with different degrees of vibrational excitation. The time-dependent inner-shell absorption features provide direct evidence for a complex relaxation mechanism that may be approximated by a two-step model, whereby the initially prepared, excited cyclic cation decays within τ 1 = 80 ± 30 fs into a transient molecular species, which then gives rise to the emergence of bare Se + and ring-open cations within an additional τ 2 = 80 ± 30 fs. The combined experimental and theoretical results suggest a close relationship between σ* excited cation states and the observed ring-opening reactions. In conclusion, the findings demonstrate that the combination of femtosecond time-resolved core-level spectroscopy with ab initio estimates of spectroscopic signatures provide new insights into complex, ultrafast photochemical reactions such as ring-opening dynamics in organic molecules in real-time and with simultaneous sensitivity for electronic and structural rearrangements.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2022

Semi-Annual Report for Modular Integrated Gas High Temperature Reactor Development during Performance Period April 2022 - September 2022

Horizontal Compact High Temperature Gas Reactor (HC-HTGR) is being designed by a multidisciplinary team of nuclear, mechanical, and structural engineers under the support of a DOE-NE Advanced Reactor Demonstration Program’s Advanced Reactor Concepts-20 (ARC-20) award. The objective of this ARC-20 project is to deliver a conceptual design for the proposed HC-HTGR in 3 years and support its commercialization as a safe, low-cost HTGR. Argonne National Laboratory (Argonne) is responsible for the design and analysis of the reactor cavity cooling system (RCCS) as a safety system for passive decay heat removal of the reactor concept. Additionally, Argonne is providing analysis of the primary coolant system to ensure temperatures within the core remain below safety margins during steady-state and potential accident scenarios. This second semi-annual report summarized the progress made at Argonne on the two tasks during the second half of FY22. As a part of the RCCS design task, a scoping calculation in estimating HVAC capability for the HC-HTGR reactor building was performed. A water panel modeling study was first performed with the test case, which confirms the capability of the RELAP5-3D modeling approach to explore various design options of the HC-HTGR RCCS under consideration. Then, a reference RELAP5-3D model for the unit geometry of the preliminary design of the HC-HTGR RCCS was developed. A preliminary performance analysis was conducted to evaluate the performances of a single-phase natural circulation and panel conduction in various operating conditions. For the primary coolant system analysis task, preliminary thermal hydraulic analysis of the HC-HTGR core design was performed with a high resolution 1D fluid-3D solid coupled model using the System Analysis Module (SAM) to assess the assembly coolant channel and bypass flow mass flow rate distribution. Some preliminary work on the development of a full core reduced order model was discussed following the assembly level model to predict the core wide coolant flow distribution and to model certain operational and accidental transients.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

DOE OSTI2023

Investigation of the Role of the Role of Nuclear Physics in Heavy Element Nucleosynthesis, through the Study of Key Reactions, and the Improvement of Theoretical Reaction Rates (Final Report)

Neutrino-driven winds in core-collapse supernovae have been identified as a possible site for the production of elements heavier than iron. Traditionally, these neutrino-driven winds have been proposed as the site of the main r-process. Recent simulations fail to reproduce the conditions required for the main r-process. while they remain a promising site for producing the lightest elements beyond iron, e.g., Sr, Y, and Zr through the νp process. The efficiency of the νp process depends on the hydrodynamical conditions, the electron fraction (which is related to the neutrino properties), and the nuclear reactions on many short-lived nuclei with limited (if at all) experimental information. The reaction rates on these nuclei are based on theoretical predictions using the Hauser-Feshbach model. Recent sensitivity studies have highlighted the importance of neutron-induced reactions on these nuclei along the νp process path. This work aimed to experimentally constrain reaction rates that are known to play a key role in the neutrino-p process nucleosynthesis. A secondary subsequently-added objective was to start the implementation of techniques that improve the description of nuclear properties in the Hauser-Feshbach model by extending the microscopic nuclear level density description offered via the shell model to high excitation energies without using experiment-based renormalizations. The main objective of this work was the experimental constraint of the 56 Ni(n,p) 56 Co reaction rate via a measurement of the inverse reaction 56 Co(p,n) 56 Ni at the National Superconducting Cyclotron Laboratory (NSCL) and later the Facility for Rare Isotope Beams (FRIB). This reaction is considered the key one for determining the yields possible by the neutrino-p process. A technique for this type of measurement in inverse kinematics at low energies did not exist before this work. The work also had two secondary objectives. First, to contribute to efforts to measure the same reaction in direct kinematics using a radioactive target at Los Alamos National Laboratory (LANL), and second, to advance work to implement shell-model-deduced microscopic level densities in Hauser-Feshbach calculations. The project has resulted in the development of the first technique to perform (p,n) cross-section measurements in relevant-for-astrophysics low energies in inverse kinematics using a magnetic spectrometer or separator, and neutron detectors for neutron tagging. It has also resulted in the precise measurement of the cross-section of the 40 Ar(p,n) 40 K reaction in a proof-of-principle experiment realized by using a beam-line quadrupole of the ReA3 accelerator of NSCL/FRIB. As part of this project the technique was successfully adapted to make use of the superior acceptance of the Separator for Capture Reactions (SECAR) at FRIB. In this project, the required experimental setup simulations and beam optics were developed and tested with the measurement of the 58 Fe(p,n) 58 Cu reaction cross-section. Additionally, this project contributed with simulation work to the development of a technique to measure (n,p) reactions with radioactive targets at LANL, and which resulted in the measurement of the key 56 Ni(n,p) 56 Co reaction cross-section at neutron energies above ≈1 MeV. Last, the project initiated work in the development of shell model based level densities using the moments method.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

NASA NTRS2008

From Informal Safety-Critical Requirements to Property-Driven Formal Validation

Most of the efforts in formal methods have historically been devoted to comparing a design against a set of requirements. The validation of the requirements themselves, however, has often been disregarded, and it can be considered a largely open problem, which poses several challenges. The first challenge is given by the fact that requirements are often written in natural language, and may thus contain a high degree of ambiguity. Despite the progresses in Natural Language Processing techniques, the task of understanding a set of requirements cannot be automatized, and must be carried out by domain experts, who are typically not familiar with formal languages. Furthermore, in order to retain a direct connection with the informal requirements, the formalization cannot follow standard model-based approaches. The second challenge lies in the formal validation of requirements. On one hand, it is not even clear which are the correctness criteria or the high-level properties that the requirements must fulfill. On the other hand, the expressivity of the language used in the formalization may go beyond the theoretical and/or practical capacity of state-of-the-art formal verification. In order to solve these issues, we propose a new methodology that comprises of a chain of steps, each supported by a specific tool. The main steps are the following. First, the informal requirements are split into basic fragments, which are classified into categories, and dependency and generalization relationships among them are identified. Second, the fragments are modeled using a visual language such as UML. The UML diagrams are both syntactically restricted (in order to guarantee a formal semantics), and enriched with a highly controlled natural language (to allow for modeling static and temporal constraints). Third, an automatic formal analysis phase iterates over the modeled requirements, by combining several, complementary techniques: checking consistency; verifying whether the requirements entail some desirable properties; verify whether the requirements are consistent with selected scenarios; diagnosing inconsistencies by identifying inconsistent cores; identifying vacuous requirements; constructing multiple explanations by enabling the fault-tree analysis related to particular fault models; verifying whether the specification is realizable.

Cimatti, Alessandro↗

NASA NTRS2012

Finite Element Models for Electron Beam Freeform Fabrication Process

Electron beam freeform fabrication (EBF3) is a member of an emerging class of direct manufacturing processes known as solid freeform fabrication (SFF); another member of the class is the laser deposition process. Successful application of the EBF3 process requires precise control of a number of process parameters such as the EB power, speed, and metal feed rate in order to ensure thermal management; good fusion between the substrate and the first layer and between successive layers; minimize part distortion and residual stresses; and control the microstructure of the finished product. This is the only effort thus far that has addressed computer simulation of the EBF3 process. The models developed in this effort can assist in reducing the number of trials in the laboratory or on the shop floor while making high-quality parts. With some modifications, their use can be further extended to the simulation of laser, TIG (tungsten inert gas), and other deposition processes. A solid mechanics-based finite element code, ABAQUS, was chosen as the primary engine in developing these models whereas a computational fluid dynamics (CFD) code, Fluent, was used in a support role. Several innovative concepts were developed, some of which are highlighted below. These concepts were implemented in a number of new computer models either in the form of stand-alone programs or as user subroutines for ABAQUS and Fluent codes. A database of thermo-physical, mechanical, fluid, and metallurgical properties of stainless steel 304 was developed. Computing models for Gaussian and raster modes of the electron beam heat input were developed. Also, new schemes were devised to account for the heat sink effect during the deposition process. These innovations, and others, lead to improved models for thermal management and prediction of transient/residual stresses and distortions. Two approaches for the prediction of microstructure were pursued. The first was an empirical approach involving the computation of thermal gradient, solidification rate, and velocity (G,R,V) coupled with the use of a solidification map that should be known a priori. The second approach relies completely on computer simulation. For this purpose a criterion for the prediction of morphology was proposed, which was combined with three alternative models for the prediction of microstructure; one based on solidification kinetics, the second on phase diagram, and the third on differential scanning calorimetry data. The last was found to be the simplest and the most versatile; it can be used with multicomponent alloys and rapid solidification without any additional difficulty. For the purpose of (limited) experimental validation, finite element models developed in this effort were applied to three different shapes made of stainless steel 304 material, designed expressly for this effort with an increasing level of complexity. These finite element models require large computation time, especially when applied to deposits with multiple adjacent beads and layers. This problem can be overcome, to some extent, by the use of fast, multi-core computers. Also, due to their numerical nature coupled with the fact that solid mechanics- based models are being used to represent the material behavior in liquid and vapor phases as well, the models have some inherent approximations that become more pronounced when dealing with multi-bead and multi-layer deposits.

Chandra, Umesh↗

DOE OSTI2016

Spatially Continuous Depletion Algorithm for Monte Carlo Simulations

To correctly predict reactor behavior during cycle operations, the evolution of nuclide number densities throughout the core must be accurately modeled. The time-varying spatial distribution of nuclide number densities is typically resolved by discretizing the Monte Carlo geometry into smaller cells over which number densities are assumed to be spatially invariant. The nuclide number densities in these smaller cells are integrated through time using reaction rate tallies on the same discretized geometry. However, detailed distributions of nuclide number densities in a full three dimensional simulation can require a prohibitive amount of tallies, and the spatial discretization of the base geometry makes coupling to external multi-physics tools difficult. In this paper a method for solving for spatially continuous number density distributions during depletion calculations will be described. The spatially continuous number densities can be used in the transport method proposed by Brown and Martin which allows for transporting neutrons through a material with continuously varying properties such as temperature and nuclide number densities. Coupled with the ability of Functional Expansion Tallies (FETs) to represent tallied quantities as continuous functions, it is possible to both solve for and make use of spatially continuous nuclide number densities. The need for this capability was alluded to by Brown et. al., but no solution has yet been proposed. With a continuous depletion method, recent work which utilized FETs and continuous material tracking to incorporate multi-physics feedback in Monte Carlo simulations can be extended to simulations that include depletion analysis. (authors)

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

DOE OSTI2018

Study on neutronics calculation method of SCWR with annular fuel assembly - 26804

Many Supercritical Water Reactor designs have been proposed all over the world. Annular fuel was employed in SCWR by Xi'an JiaoTong University to achieve lower fuel center temperature and lower cladding surface temperature. Different analysis codes have been developed for these designs. In this article, a neutronics calculation code for SCWR with annular fuel is developed. This code is compared with Monte-Carlo code doing both assembly and core calculation. The results showed that the spectra difference of PWRs and SCWRs is the main reason for assembly calculation errors and conventional assembly homogenization method is not suitable for SCWRs. Thus the group-collapsing and spatial-averaging method were studied to improve the accuracy. The few-group structure which contains 14 energy groups is used. The 'super-assembly' model is employed to consider effect of reflector. The results showed that the accuracy of effective multiplication factor and radial power was improved. (authors)

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

DOE OSTI2025

Physics of Edge-Core Coupling by Inward Turbulence Propagation

The dynamics of edge-core coupling is critically important to the optimization of magnetically confined fusion plasmas. Since early proposals, there has been persistent speculation that inward propagation of turbulence from the boundary is a possible means to energize the edge-core coupling region. However, the detailed mechanism of this process has remained a mystery until recent experiments observed that regular, intense gradient relaxation events generated blob-void pairs very close to the last closed flux surface. Blobs ($\tilde{n}$ >0) propagate outward and detach from the bulk plasma, while voids ($\tilde{n}$ <0) propagate inward, and so stir the core plasma. Here, in this work, we demonstrate that this heretofore ignored process of void emission can drive a broad turbulent layer of width ∼100 𝜌 𝑠 , for typical parameters. The mechanism is the Cherenkov emission of drift waves from inward-propagating voids. The model shows promise to resolve several questions surrounding the shortfall problem and the strong turbulence in the edge-core coupling region.

drift waves↗

DOE OSTI2017

A Case Study in Low Aerosol Number Concentrations Over the Eastern North Atlantic: Implications for Pristine Conditions in the Remote Marine Boundary Layer

We present a case study (20 September to 13 October 2015) of synergistic, multi-instrument observations of aerosols, clouds, and the marine boundary layer (MBL) at the Eastern North Atlantic (ENA) Atmospheric Radiation Measurement site centered on a period of exceptionally low (20–50 cm -3 ) surface accumulation mode (0.1–1 μm) aerosol particle number concentrations. We divide the case study into three regimes (high, clean, and ultraclean) based on daily median number concentrations and compare finer resolution (hourly or less) observations between these regimes. The analysis focuses on the possibility of using these ultraclean events to study pristine conditions in the remote MBL, as well as examining evidence for a recently proposed conceptual model for the large-scale depletion of cloud condensation nuclei-sized particles in postfrontal air masses. Relative to the high and clean regimes, the ultraclean regime tends to exhibit significantly fewer particles between 0.1 and 0.4 μm in diameter and a relatively increased prevalence of larger accumulation mode particles. In addition, supermicron particles tend to dominate total scattering in the ultraclean regime, and there is little evidence for absorbing aerosol. These observations are more in-line with a heavily scavenged but natural marine aerosol population and minimal contribution from continental sources such as anthropogenic pollution, biomass burning, or dust. The air masses with the consistently lowest accumulation mode aerosol number concentrations are largely dominated by heavily drizzling clouds with high liquid water path cores, deep decoupled boundary layers, open cellular organization, and notable surface forcing of subcloud turbulence, even at night.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2023

Fuel cycle depletion validation and code-to-code verification studies for High Flux Isotope Reactor highly and low-enriched uranium fuel designs

Here, this paper documents fuel cycle depletion validation and code-to-code verification studies for the High Flux Isotope Reactor (HFIR) highly enriched uranium (HEU) and proposed low-enriched uranium (LEU) fuel designs. In support of HFIR’s world-leading performance, transport and depletion simulations are performed to ensure safe operations, design and qualify irradiation experiments, enhance core components and irradiation facilities, and design and characterize LEU fuel designs. Identifying well-validated, computationally efficient codes is required for the success of these efforts. The HFIR Controller, Shift, and VESTA codes were deployed to simulate HEU uranium–oxide dispersion fuel cycles at 85, 95, and 100 MW operations, as well as LEU fuel cycles operating at 95 MW with uranium–silicide dispersion and uranium–molybdenum monolithic alloy fuel forms. Excellent agreement between the codes and with experimentally obtained 235 U enrichment distributions provides increased confidence in the ability of these codes to model and simulate HFIR’s unique core design.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

DOE OSTI2025

Software Validation Work With The ZPPR-15 Data

The analysis activities for fast reactors involve using many different pieces of software that are relied upon for their predictive capabilities. For this software to be considered reliable, documented proof that the predictions of the software are accurate is required. In this manuscript, the validation work that covers some of the Argonne software used in fast reactor design activities is discussed and displayed. This validation work includes neutron and gamma flux distributions, reaction rate distributions, and reactivity worth. In an ideal world, a reactor development program would have access to a comprehensive set of experimental facilities to help inform the design aspects of the reactor itself. While thermal-hydraulics experiments, and to a limited degree mechanical experiments, can be carried out today for validation needs, neutronics related experimental facilities are rather impractical because of the lack of experimental facilities. Given the desired time table for construction of new reactors, the reconstitution or creation of new neutronic experimental facilities is untenable and thus those reactor development programs must rely upon any available experimental measurements that are qualitatively similar to the design. While a methodology has been proposed to assess the similarity between the past experimental measurements and the reactor itself, that aspect is beyond the scope of this manuscript. In this manuscript, the focus is entirely placed on the analysis results for a series of experiments carried out at the ZPPR facility in Idaho in the mid-1980s. In this regard, this manuscript only shows the validation of the stated neutronics software for specific loadings of the ZPPR reactor. Because of the fuel form, its proposed enrichment, and the material content of the reactor core, the ZPPR-15 experiments were identified as potential validation data for the reactor. The ZPPR-15 experiments were intended as mockups of a 330 MWe Integral Fast Reactor program which was a follow on program to the Clinch River Breeder Reactor. In the ZPPR-15 series of experiments, measurements of the neutron spectrum, control rod worth, sodium void worth, foil reaction rate distributions, Doppler worth of heated samples, gamma dose, and axial expansion worth were all carried out and published. In many cases, these reactivity coefficients are good candidates to validate the reactivity coefficient calculation scheme used by the analysis software and included in the safety analysis activities of fast reactor development projects today. This manuscript discusses the modeling methodology and accuracy of the calculated experimental results using the LANL software MCNP and the ANL software package ARC (Argonne Reactor Codes). As will be shown, for many of the experimental measurements, the two software packages are found to be good predictive analysis tools for those experiments. In other cases, problems with the analysis methodology or underlying cross section data are exposed which indicates where predictive analysis is not as reliable. Finally, in some of the measurements the conclusion is reached that the experimental measurement cannot be reproduced with the analysis software as it is simply too difficult.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

DOE OSTI2026

Software Validation Work With The ZPPR-15 Data

Aliberti, Gerardo↗

NASA NTRS1999

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.↗

DOE OSTI2020

RELAP-7 Application and Enhancement for FLEX Strategies and ATF Behavior under Extended Loss of AC Power Conditions

This report summarizes the results of a three-year research project sponsored by the U.S. Department of Energy (DOE) Nuclear Energy University Program (NEUP) to enhance and apply the RELAP-7 code by adding and improving several important components (e.g., a mechanistic Reactor Core Isolation Cooling (RCIC) system model) for thermal hydraulic studies of LWRs under ELAP conditions and evaluating the time available for transition to portable FLEX equipment. The project team included University of Massachusetts–Lowell, The Ohio State University, Texas A&M University, Idaho National Laboratory and Oak Ridge National Laboratory. In the Fukushima accident, it was found that the RCIC system played a crucial role in delaying core meltdown by almost three days in Fukushima Daiichi Unit 2, because of self-regulated operation of the steam driven RCIC turbine-pump injection system. Steam flow in the convergent-divergent nozzles of the RCIC Terry turbine is two-phase non-equilibrium transonic flow with homogenous nucleation condensation. To more accurately predict the dynamic process and behavior of the transonic compressible steam flow, a one-dimensional transient two-phase analytical model is presented. A simplified four-fluid model was employed in the present work with the consideration of four separate fluid fields: vapor, liquid film, entrained droplets and condensed droplets. The mass, momentum and energy interactions between the fluids were considered and modeled. An extended seven-equation non-equilibrium critical flow model was developed to obtain the critical pressure and velocities of each phase at the nozzle throat. To predict the wetness in the divergent section, a mechanistic nucleation condensation model was integrated in the nozzle analysis model, considering the generation and consequent growth of droplets. The governing differential equations on a staggered grid were discretized using the second-order Lax-Wendroff scheme with a flux limiter, and the Semi-Implicit Method for Pressure-Linked Equation (SIMPLE) algorithm was employed to solve the discrete linear system. To demonstrate the predictability and reliability of the physical models and the numerical method proposed in the present work, three representative nozzles were modeled and simulated. The results show good agreement with the available experimental data, even for condensation shock. Then, the 1D nozzle model was employed to obtain nozzle flow tables of the Terry turbine nozzle for different working pressures which can cover the operation pressure range of the RCIC system. A mechanistic RCIC turbine-pump system model was developed and implemented in the system code TRACE to simulate dynamic responses of the RCIC system under Beyond Design Basis Accident (BDBA) conditions. The turbine-pump governing equations are based on the control volume approach of the angular momentum balance. The physics based mechanistic RCIC model was developed using the TRACE control system components (i.e., signal variables, control blocks, and tables), and incorporated into a TRACE boiling water reactor (BWR) model. The TRACE model in this report has a detailed nodalization of the reactor pressure vessel (RPV), and all of the major flow paths and system components, including the safety relief valves (SRVs) and the containment suppression pool and drywell. Based on the nozzle flow tables generated from the 1D nozzle model developed, the turbine drive torque can be calculated from table lookup. Since the detailed specifications of the RCIC pump are unavailable, the homologous curves for a Bingham pump were used in the current pump component. A station black-out (SBO) accident test problem was selected to demonstrate the TRACE RCIC model. The short-term SBO simulations were performed for two cladding materials: Zircaloy and FeCrAl, to demonstrate the effect of the accident tolerant fuel cladding on fuel heat-up under BDBA accident conditions. The wetwell plays a vital safety role in SBO and other BWR accident scenarios in that it can reduce containment pressure and supply additional core make-up water. The suppression pool temperature distribution has a very large impact on both RPV and containment pressure. Thus, another novel contribution of the project comes mainly from an improved, systems-level wetwell model which can capture buoyancy-induced thermal stratification effects due to steam injection and condensation. A two-zone stratified wetwell model has been implemented in RELAP-7 and some results from that model are presented. This wetwell model is capable of simulating thermal stratification due to a low steam mass injection rate. With a low mass flow rate, the model assumes that all the steam condenses within the pipe and the resulting plume can be approximated with a purely buoyant, heat-source driven model. The wetwell model developed with these assumptions is adequate to simulate slow transients such as extended SBO transients.

42 ENGINEERING↗

DOE OSTI2025

Direct Observations of Solute Dispersion in Rocks With Distinct Degree of Sub‐Micron Porosity

Abstract The transport of chemical species in rocks is affected by their structural heterogeneity to yield a wide spectrum of local solute concentrations. To quantify such imperfect mixing, advanced methodologies are needed that augment the traditional breakthrough curve analysis by probing solute concentration within the fluids locally. Here, we demonstrate the application of asynchronous, multimodality imaging by X‐ray computed tomography (XCT) and positron emission tomography (PET) to the study of passive tracer experiments in laboratory rock cores. The four‐dimensional concentration maps measured by PET reveal specific signatures of the transport process, which we have quantified using fundamental measures of mixing and spreading. We observe that the extent of solute spreading correlate strongly with the strength of subcore‐scale porosity heterogeneity measured by XCT, while dilution is enhanced in rocks containing substantial sub‐micron porosity. We observe that the analysis of different metrics is necessary, as they can differ in their sensitivity to the strength and forms of heterogeneity. The multimodality imaging approach is uniquely suited to probe the fundamental difference between spreading and mixing in heterogeneous media. We propose that when multi‐dimensional data is available, mixing and spreading can be independently quantified using the same metric. We also demonstrate that one‐dimensional transport models have limited predictive ability toward the internal evolution of the solute concentration, when the model is solely calibrated against the effluent breakthrough curves. The data set generated in this study can be used to build realistic digital rock models and to benchmark transport simulations that account deterministically for rock property heterogeneity.

Kurotori, Takeshi [Department of Chemical Engineer↗