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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Recent progress in the design of the K-DEMO divertor

The preliminary conceptual design of the Korean fusion demonstration reactor (K-DEMO) with a major radius of 6.8 m and the fusion power of 2200 MW has been studied since 2012. The overall configuration of the K-DEMO divetor system based on the ITER-like water-cooled tungsten technology is a double-null type symmetric divertor subdivided into 32 toroidal modules for the vertical maintenance. A detached divertor scenario with impurity seeding was considered as the primary approach for the power exhaust to reduce the peak heat flux lower than the engineering limit of 10 MW/m 2 . The power exhaust performance at the scrap off layer was estimated by using UEDGE-2D code, a two-dimensional fluid transport code for collisional edge plasma and neutral species like N, Ne, and Ar. Particle and heat flux on inboard and outboard divertor targets were calculated for the detached cased depending on parameters such as the impurity seeding rate, pumping rate, and the pedestal density. On the other hand, a magnetic solution like X-divertor, snowflake divertor, and super X-divertor to expand the plasma wet area was considered for K-DEMO since the detached divertor increasing a radiation fraction by impurity seeding might be able to be unstable. However, the extremely high current of poloidal coils was required more than the engineering limit, 20 MA, to form magnetic field lines for the alternative divertors. Based on the physical calculation of the edge plasma, engineering analyses were carried out to find out the thermal and structural reliability. The thermo-hydraulic analysis confirmed thermal stability, whether all comprising materials are operating within their allowable temperature windows when the case of the peak heat flux is set to 10 MW/m 2 on the outboard divertor target. The response surface optimization method derived two optimal design candidates employing two kinds of heat sink materials, respectively: the reduced activation ferritic martensitic (RAFM) steel and CuCrZr alloy. Additionally, the drawbacks and merits of the two materials were definite. The optimal design with applying RAFM steel was vulnerable to withstand thermal and mechanical loads since low thermal conductivity caused too thin thickness of the heat sink. On the other hand, the CuCrZr alloy has critical drawbacks in terms of activation and radioactive waste despite its high thermal conductivity. Meanwhile, preliminary electromagnetic (EM) analysis was carried out to estimate the EM loads caused by the abnormal behaviors of plasma since EM loads are one of the most critical external loads for designing a DEMO divertor.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2017

Advanced Simulation Aided Metallic Fuel Design

Nuclear engineering is reaching a domain space in which computational power and methods are starting to surpass the models that are used to simulate nuclear fuel rods. As these models are updated, simulations utilizing different compositions, operating conditions, fabrication techniques, and geometries can provide core designers with an important first step towards fuel qualification. Due to the cost associated with fuel irradiations, it can be expected that time and money spent building better fuel models may provide an attractive return during initial studies of advanced fuels, especially with regards to fuels beyond the extensively studied uranium oxide system. In general, the primary U.S. experience with irradiated fuel rods beyond traditional oxide fuel is with binary (U-Zr) and ternary (U-Pu-Zr) metal fuels. The bulk of the experimental data for metal fuels is obtained from rods irradiated in the EBR-II sodium fast reactor (SFR), thus many of the correlations developed for metal fuels comes from the post-irradiation (PIE) examination of EBR-II rods. One of the unique characteristics that set U-Pu-Zr fuels apart from traditional oxide fuels is the presence of different phases that develop in the fuel during irradiation. Each of these different phases has unique thermal, mechanical, and diffusive behavior. The transitions between these phases are not static as the initially homogenous zirconium diffuses towards the center and edge of the fuel rod, resulting in a low-Zr, high-U ring. Along with the differing material properties that occur in each phase, the increase in uranium corresponds to an increase in localized fission and power production. The direct coupling between the thermal and diffusion solves highlights one of the many examples of tightly coupled phenomenon that are present in nuclear fuel, and motivation for the development of codes that simultaneously solve each piece of physics in a fully-coupled manner.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2022

Status of the OECD/NEA Watts Bar unit 1 benchmark and calculations of local reactor core power data of the Zero Power physics tests

The paper aims to provide an update on the status of the Organization for Economic Cooperation and Development (OECD) / the Nuclear Energy Agency (NEA) Tennessee Valley Authority (TVA) Watts Bar 1 (WB1) Multi-Physics Multi-Cycle depletion benchmark and the results associated with Exercise 1. The benchmark relies on the set of benchmark progression problems developed by the Department of Energy (DOE) Consortium for the Advanced Simulation of Light Water Reactors (CASL) for the Virtual Environment for Reactor (VERA), which are based on real plant design and operational data. The OECD/NEA TVA WB1 benchmark is designed for validation of both traditional and novel high-fidelity multi-physics codes to analyze Pressurized Water Reactors (PWR) depletion cycles. The activities are conducted under the Expert Group on Reactor Systems Multi-Physics (EGMUP) at NEA/OECD. In this work, we analyze Exercise 1 of the benchmark: stand-alone Three-Dimensional (3D) neutronics at Start-up Zero Power Physics Test (ZPPT) at Hot Zero Power Conditions (HZP) and the resulting power maps. The code used to model the exercise is the continuous energy Monte Carlo code Serpent 2.1.31 along with the nuclear data library ENDF/B-VII.1. Serpent results are compared with the high-fidelity deterministic code MPACT, which is part of VERA. The paper presents three selected results from power calculations required output. The results compared are the normalized axially integrated radial core power maps, the normalized axial averaged core power shapes, and the normalized core hottest and coldest assemblies radial power maps. The Root Mean Square Deviation (RMSD) between Serpent and MPACT is 0.51 % for the axially integrated radial core power map, 1.41 % for the axial averaged core power shape, 2.42 % for the hottest assembly axial power shape, 0.88 % for the coldest assembly axial integrated hottest assembly radial pin power map, and 0.17 % for the axially integrated coldest assembly radial pin power map. (authors)

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2022

Developing solid-surface plasma facing components for pilot plants and reactors with replenishable wall claddings and continuous surface conditioning. Part A: concepts and questions

Abstract It is estimated that pilot plants and reactors may experience rates of net erosion and deposition of solid plasma facing component (PFC) material of 10 3 –10 5 kg yr −1 . Even if the net erosion (wear) problem can be solved, the redeposition of so much material has the potential for major interference with operation, including disruptions due to so-called ‘unidentified flying objects (UFOs)’ and unsafe dust levels. The potential implications appear to be no less serious than for plasma contact with the divertor target: a dust explosion or a major UFO-disruption could be as damaging for an actively-cooled deuterium-tritium (DT) tokamak as target failure. It will therefore be necessary to manage material deposits to prevent their fouling operation. This situation appears to require a fundamental paradigm shift with regard to meeting the challenge of taming the plasma–material interface: it appears that any acceptable solid PFC material will in effect be flow-through , like liquid–metal PFCs, although at far lower mass flow rates. Solid PFC material will have to be treated as a consumable , like brake pads in cars. ITER will use high-Z (tungsten) armor on the divertor targets and low-Z (beryllium) on the main walls. The ARIES-AT reactor design calls for a similar arrangement, but with SiC cladding on the main walls. Non-metallic low-Z refractory materials such as ceramics (graphite, SiC, etc) used as in situ replenishable, relatively thin—of order mm—claddings on a substrate which is resistant to neutron damage could provide a potential solution for the main walls, while reducing the risk of degrading the confined plasma. Separately, wall conditioning has proven essential for achieving high performance. For DT devices, however, standard methods appear to be unworkable, but recently powder droppers injecting low-Z material ∼continuously into discharges have been quite effective and may be usable in DT devices as well. The resulting massive generation of low-Z debris, however, has the same potential to seriously disrupt operation as noted above. Powder droppers provide a unique opportunity to carry out controlled studies on the management of low-Z slag in all current tokamaks, independent of whether their protection tiles use low-Z or high-Z material.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2021

LX-17 Thermal Decomposition-Characterization of Solid Residues from Cook-Off in a Small-Scale Vessel Under Confinement

Concerns surround whether insensitive (or any) energetic materials are more dangerous to handle when exposed to abnormal thermal environments. This study characterizes the residual material remaining after LX-17 (92.5 % 1,3,5-triamino 2,4,6-trinitro benzene (TATB) and 7.5 % Kel-F) is exposed to various thermal environments in a sealed small-scale vessel cook-off test reactor (heated at 0.1 to 100 °C/min until the reactor opened at 3000 psi (20.7 MPa)). Previous work has shown no additional sensitivity of these residues as evaluated by small-scale safety analysis, but characterization on the molecular scale indicates the TATB is transformed to more reactive compounds as well as the residue could be precursors to toxic gases. The solids and chars were characterized by various analytical methods. Heat-flow measurements indicated exothermic release is due to a mixture of residual TATB and related decomposition products (which may be more energetic). The N/C and O/N ratios indicated a material much more degraded than TATB. Primarily, the solids were a network of amorphous C inter-dispersed with N and O. Types of bonding include C–C, C–N, N–H, N–C, N=C, N≡C, C–O=, and –OH. Solvent extracts of the solids showed TATB decomposition intermediates benzo-furazans and benzo-furoxans, substituted TATB (mono-nitroso, hydroxyl, and chlorinated) along with several unidentified smaller molecules. These results indicate thermal treatment produces an amorphous carbon residue with heteroatoms incorporated through differing functionality, varying depending upon the thermal severity of exposure. These structures also could further decompose producing toxic light gases (such as cyanide).

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

An ab initio molecular dynamics investigation of the thermophysical properties of molten NaCl-MgCl 2

Molten salts have many applications in the nuclear and solar energy industries for thermal storage and heat transfer applications. However, there is a knowledge gap in molten salt thermophysical properties which hinders the technical readiness level of molten salt applications, especially in the nuclear industry. A common method of investigating new materials is through ab initio Molecular Dynamics (AIMD) simulations which is an effective tool to investigate structural and thermophysical properties at realistic temperatures. NaCl-MgCl 2 is an inexpensive salt that is a good candidate for use as a heat transfer medium in solar power applications or in the secondary loop of a nuclear reactor. In this article, the thermophysical properties of NaCl-MgCl 2 are computed via AIMD calculations to supplement the limited experimental studies in the literature. Here a wide range of compositions and temperatures for the pseudo-binary NaCl-MgCl 2 were used to calculate the density, heat capacity, compressibility, enthalpy of mixing, and volumetric thermal expansion coefficient. AIMD is shown to accurately model the densities of molten NaCl-MgCl 2 as there is good agreement with the available literature. This work observed a transition to a monotonic increase of the density with respect to MgCl 2 composition occurring above 1100 K. The heat capacity values increase uniformly with respect to concentration of MgCl 2 at a rate of 2.85 J/mol-K per 10 mol% of MgCl 2 . Select thermophysical properties are fit to a Redlich-Kister expansion for utilization in multiphysics simulations.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Modelling and experiment to stabilize disruptive tearing modes in the ITER baseline scenario in DIII-D

Abstract The achievement of high gain, stationary conditions in a tokamak scenario aimed at producing fusion energy in the ITER Project is crucial to the demonstration that this form of energy can be used in future reactors to provide cheap and clean energy globally. Disruptions are a challenge for the fusion energy field, in particular for the ‘ITER Baseline Scenario’ (IBS), as reproduced in the DIII-D tokamak. This work shows that a solution has been found for the m = 2/ n = 1 tearing modes that have consistently caused disruptions in the IBS: stable operation down to zero input torque was achieved by modifying the current density profile at the beginning of the pressure flattop and the ELM character later in the discharges, guided by previous results showing that the most likely cause of these instabilities is the current density profile. The coupling between sawteeth, n>2 modes and the 2/1 TMs is shown to not be statistically significant, nor the leading origin for the evolution towards instability. Ideal and resistive MHD modeling provide positive verification that a steeper ‘well’ in the region of the q = 2 rational surface leads to worse ideal stability, higher tearing index Δ’ and lower threshold Δ’ c for resistive instabilities, consistent with the experimental results. This provides confidence that the methods used in this work can be extrapolated to other devices and applied to avoid disruptions in ITER and pulsed fusion devices worldwide.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2025

Solving the Pulsed-Power Driven Inertial Fusion Energy Standoff Problem (Abbreviated Final Report)

The standoff problem in pulsed-power driven IFE (Inertial Fusion Energy) refers to the problem of electrically connecting a fusion target with the driver in a way that preserves the driver/target interface in the presence of a large fusion energy release (100’s of megajoules to 1000 megajoules). High yield fusion drivers for stockpile stewardship applications have similar concerns, but without the complication of the high repetition rate needed for energy production. All proposed IFE or high yield systems have the challenge of protecting the reactor vessel and driver from the energy release, but pulsed power drivers have the additional challenge of establishing an electrical connection in a way that does not create excessive debris or require costly/massive structures that must be expendable. Fortunately, there are conceptual solutions in the form of very low mass transmission lines, usually in the form of wires or foils, since very little mass is needed to overcome the magnetic forces driving the transmission lines apart or provide a low resistance pathway given the short pulse duration of the driver. Several important aspects of the standoff problem were analyzed in the course of this LDRD project. Conceptual means of introducing the low mass transmission lines into the reactor chamber were proposed, including analysis of methods to retain the power flow gap between the electrodes in the presence of the chamber environment. The energy losses due to ohmic dissipation and magnetic acceleration of the low mass transmission lines were evaluated for candidate driver pulses and different transmission line masses, and the fluence of x-ray and neutron energy on the persistent power flow structures that must survive the pulse of energy were evaluated. Finally, means of rapidly pumping down the chamber were explored as a way to return the system to low pressure following the multi-atmosphere post-pulse pressure rise. The overall conclusion from the analysis is that, while the reactor environment creates stressful conditions for a low mass transmission line standoff system, there are concepts expending 10 kg or less of electrode mass each pulse with the potential to mitigate the stresses and successfully drive fusion targets. Whether such a system could lead to a practical and economical fusion reactor would require extensive research and development beyond the scope of the feasibility study.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2023

Performance evaluation of cosmic ray muon trajectory estimation algorithms

Muons, being elementary particles with minimal interaction with nuclear materials and abundant at sea level, have sparked interest in utilizing them for imaging various applications, such as mining [Borselli et al., Sci. Rep. 12, 22329 (2022)], volcano imaging [Nagamine et al., Nucl. Instrum. Meth. A, 356, 585(1995)], and underground tunnel detection [Guardincerri et al., Pure Appl. Geophys. 174, 2133 (2017)]. Recently, their use in nuclear nonproliferation and safeguard verification has gained attention, particularly in cargo screening for nuclear waste smuggling [Baesso et al., J. Instrum. 9, C10041 (2014)], source localization [L. J. Schultz et al., Nucl. Instrum. Meth. A 519, 687 (2004)], and locating nuclear fuel debris in reactors [Borozdin et al., Phys. Rev. Let. 109, 152501 (2012)]. However, the resolution of muon image reconstruction techniques is limited due to multiple Coulomb scattering (MCS) within the target object. To achieve robust muon tomography, it is crucial to develop efficient and flexible physics-based algorithms that can model the MCS process accurately and estimate the most probable trajectory of muons as they pass through the target object. To address this limitation, in this study, a novel algorithmic approach utilizing the Bayesian probability theory and Gaussian approximation of MCS is chosen. Different energy levels, materials, and target sizes were considered in the evaluations. The results demonstrate that the Generalized Muon Trajectory Estimation (GMTE) algorithm offers significant improvements over currently used algorithms. Across all test scenarios, the GMTE algorithm demonstrated ~50% and 38% increase in precision compared to Straight Line Path (SLP) and Point of Closest Approach (PoCA) algorithms, respectively. Furthermore, it exhibited 10%–35% and 10%–15% increases in muon flux utilization for high and medium Z materials, respectively, compared to the PoCA algorithm. In conclusion, the extensive simulations confirm the enhanced performance and efficiency of the GMTE algorithm, offering improved resolution and reduced measurement time for cosmic ray muon imaging compared to the current SLP and PoCA algorithms.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2016

Development of Xe and Kr empirical potentials for CeO 2 , ThO 2 , UO 2 and PuO 2 , combining DFT with high temperature MD

In this study, the development of embedded atom method (EAM) many-body potentials for actinide oxides and associated mixed oxide (MOX) systems has motivated the development of a complementary parameter set for gas-actinide and gas-oxygen interactions. A comprehensive set of density functional theory (DFT) calculations were used to study Xe and Kr incorporation at a number of sites in CeO 2 , ThO 2 , UO 2 and PuO 2 . These structures were used to fit a potential, which was used to generate molecular dynamics (MD) configurations incorporating Xe and Kr at 300 K, 1500 K, 3000 K and 5000 K. Subsequent matching to the forces predicted by DFT for these MD configurations was used to refine the potential set. This fitting approach ensured weighted fitting to configurations that are thermodynamically significant over a broad temperature range, while avoiding computationally expensive DFT-MD calculations. The resultant gas potentials were validated against DFT trapping energies and are suitable for simulating combinations of Xe and Kr in solid solutions of CeO 2 , ThO 2 , UO 2 and PuO 2 , providing a powerful tool for the atomistic simulation of conventional nuclear reactor fuel UO 2 as well as advanced MOX fuels.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2015

New lifetime measurements in Pd 109 and the onset of deformation at N = 60

We measured several new subnanosecond lifetimes in 109 Pd using the fast-timing βγ γ (t ) method. Fission fragments of the A = 109 mass chain were produced by bombarding natural uranium with 30 MeV protons at the Jyväskylä Ion Guide Isotope Separator On-Line (IGISOL) facility. We obtained lifetimes for excited states in 109 Pd populated following β decay of 109 Rh. The new lifetimes provide some insight into the evolution of nuclear structure in this mass region. In particular, the distinct structure of the two low-lying 7/2+ states occurring systematically across the Pd isotopic chain is supported by the new lifetime measurements. Finally, the available nuclear data indicate a sudden increase in deformation at N = 60 which is related to the strong p-n interaction between πg 9/2 and νg 7/2 valence nucleons expected in this region.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2025

Experimental study of multiple-orientation muon tomography with image optimization in sparse data environments

Due to the high penetrating power of cosmic-ray muons, they can be used to probe very thick and dense objects. As muons are charged particles, they can be tracked by ionization detectors, determining the position and direction of the muons. With detectors on either side of an object to measure particle direction change, scattering information within the object can be found. This can be used to produce a scattering-intensity image within the object related to density and atomic number. Such imaging is typically performed with a single detector-object orientation, taking advantage of the more intense downward flux of muons, producing planar imaging with some depth-of-field information in the third dimension. Several simulation studies were published with multiorientation tomography, which can form a three-dimensional representation faster than a single-orientation view. In this study, experimental muon-scatter-based tomography was performed using a concrete filled steel drum with several different metal wedges inside, with the drum between detector planes. Data were collected from different detector-object orientations by rotating the steel drum. The data collected from each orientation were combined using two different tomographic methods. A traditional inverse Radon transform approach used for computed tomography and a combination of multiple depth-of-field reconstructions were applied to the data. As cosmic-ray muon flux imaging is rate limited, the imaging techniques were compared for sparse data. Using the combined depth-of-field reconstruction technique, fewer detector-object orientations were needed to reconstruct images that could be used to differentiate the metal wedges.

47 OTHER INSTRUMENTATION↗
DOE OSTI2023

Predictive Modeling of Electrodeposition in a Single Pore Flow-Through Electrode: From Electronucleation to Coating Thickness Uniformity

The emergence of advanced manufacturing methods capable of producing porous three-dimensional structures has expanded the design space for next-generation functional components. The ability to fabricate ordered 3D foams for use in electrocatalysis reactors has increased the need for controlled deposition of catalytic metals onto porous support materials, such as carbon. However, there is a lack of clear design guidelines for electrodeposition onto 3D substrates, due to the geometric complexity and multi-scale nature of the problem. Furthermore, electro-nucleation phenomena are often overlooked in macro-scale models of current distribution during deposition. Here, a graphite flow-through electrode (FTE) is used as a model system for copper deposition within a single pore. Potential distributions and electro-nucleation phenomena are coupled in a continuum level model by incorporating nucleation size and density as a function of overpotential, determined experimentally using in situ atomic force microscopy (AFM). The model predictions are validated by measuring the coating uniformity in the pore using micro-computed X-ray tomography (μCT). A scaling analysis comprising dimensionless parameters such as the Wagner number is presented. The simplified scaling relationship framework can guide the electrodeposition process and electrode design to optimize plating of porous substrates under fluid flow conditions.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2019

Steam-Stable Basic Immobilized Amine Sorbent Pellets for CO 2 Capture Under Practical Conditions

Pelletization of basic immobilized amine sorbent (BIAS) particles is required to improve their mechanical strength and facilitate their practical CO 2 capture application under fixed or dynamic reactor conditions. Herein, we utilized two methods to prepare amine-functionalized BIAS pellets. Method (ii-a) involved combining latex polychloroprene (PC)/polyamine solutions with fly ash (FA)/BIAS powder to form sorbent pellets. Alternatively, method (ii-b) entailed shaping and drying wet pastes of binder solution plus FA/SiO 2 powder into pellet supports. These supports were then functionalized with leach-resistant polyethylenimine MW = 800 (PEI 800 )/N-N-diglycidyl-4-glycidyloxyaniline (tri-epoxide cross-linker, E3) or ethylenamine E100/E3 mixtures. All pellets were screened for CO 2 capture by thermogravimetric analysis (dry 14% CO 2 /N 2 , 55–75 °C), H 2 O stability by accelerated water washing, and mechanical strength by crush and ball-mill attrition testing. The mechanism of superior method (ii-b) pellet formation was uncovered by N 2 physisorption measurements, diffuse reflectance infrared Fourier transform spectroscopy, and scanning electron microscopy. Extended fixed bed testing of optimum E3/PEI 800 -0.13/1 pellets under practical conditions revealed complete CO 2 capture stability of 1.5 mmol CO 2 /g after 48 h of continuous steam exposure (7.2% H 2 O/He, 105 °C) and minimal 14.6% loss in capacity after 75 hours of combined CO 2 capture cycling and steam treating (48 h). This slight oxidative degradation could be alleviated by incorporating a K 2 CO 3 antioxidant into the pellet formulation. Overall, the robust physiochemical properties of the polyamine/cross-linker method (ii-b) pellets confirm their suitability for pilot-scale testing.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Combined Effects of Fe(III)-Bearing Clay Minerals and Organic Ligands on U(VI) Bioreduction and U(IV) Speciation

Reduction of U(VI) to U(IV) drastically reduces its solubility and has been proposed as a method for remediation of uranium contamination. However, much is still unknown about the kinetics, mechanisms, and products of U(VI) bioreduction in complex systems. In this work, U(VI) bioreduction experiments were conducted with Shewanella putrefaciens strain CN32 in the presence of clay minerals and two organic ligands: citrate and EDTA. In reactors with U and Fe(III)-clay minerals, the rate of U(VI) bioreduction was enhanced due to the presence of ligands, likely because soluble Fe 3+ - and Fe 2+ -ligand complexes served as electron shuttles. In the presence of citrate, bioreduced U(IV) formed a soluble U(IV)-citrate complex in experiments with either Fe-rich or Fe-poor clay mineral. In the presence of EDTA, U(IV) occurred as a soluble U(IV)-EDTA complex in Fe-poor montmorillonite experiments. However, U(IV) remained associated with the solid phase in Fe-rich nontronite experiments through the formation of a ternary U(IV)-EDTA-surface complex, as suggested by the EXAFS analysis. Our study indicates that organic ligands and Fe(III)-bearing clays can significantly affect the microbial reduction of U(VI) and the stability of the resulting U(IV) phase.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Windowed multipole representation of R -matrix cross sections

Nuclear cross sections are basic inputs to any nuclear computation. Campaigns of experiments are fitted with the parametric R-matrix model of quantum nuclear interactions, and the resulting cross sections are documented—both pointwise and as resonance parameters (with uncertainties)—in standard evaluated nuclear data libraries (ENDF, JEFF, BROND, JENDL, CENDL, TENDL): these constitute our common knowledge of fundamental low-energy nuclear cross sections. In the past decade, a collaborative effort has been deployed to establish a new nuclear cross-section library format—the Windowed Multipole Library—with the goal of considerably reducing the computational cost of cross-section calculations in nuclear transport simulations. This work lays the theoretical foundations underpinning these efforts. From general R-matrix scattering theory, we derive the windowed multipole representation of nuclear cross sections. Though physically and mathematically equivalent to R-matrix cross sections, the windowed multipole representation is particularly well suited for subsequent temperature treatment of angle-integrated cross sections, in particular Doppler broadening, which is the averaging of cross sections over the thermal motion of the target atoms. Doppler broadening is of critical importance in neutron transport applications, as it ensures the stability of many nuclear reactors (negative thermal reactivity). Yet, Doppler broadening of nuclear cross sections has been a considerable bottleneck for nuclear transport computations, often requiring memory-costly pretabulations. We show that the windowed multipole representation can perform accurate Doppler broadening analytically (up to the first reaction threshold), from which we derive cross-section temperature derivatives to any order—all computable on the fly (without precalculations stored in memory). Furthermore, we here establish a way of converting the R-matrix resonance parameters uncertainty (covariance matrices) into windowed multipole parameters uncertainty. We show that generating stochastic nuclear cross sections by sampling from the resulting windowed multipole covariance matrix can reproduce the cross-section uncertainty in the original nuclear data file. The windowed multipole representation is therefore a novel nuclear physics formalism able to generate Doppler broadened stochastic nuclear cross sections on the fly, unlocking breakthrough computational gains for nuclear computations. Through this foundational paper, we hope to make the windowed multipole representation accessible, reproducible, and usable for the nuclear physics community, as well as provide the theoretical basis for future research on expanding its capabilities.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2015

Measuring and monitoring KIPT Neutron Source Facility Reactivity

Argonne National Laboratory (ANL) of USA and Kharkov Institute of Physics and Technology (KIPT) of Ukraine have been collaborating on developing and constructing a neutron source facility at Kharkov, Ukraine. The facility consists of an accelerator-driven subcritical system. The accelerator has a 100 kW electron beam using 100 MeV electrons. The subcritical assembly has k eff less than 0.98. To ensure the safe operation of this neutron source facility, the reactivity of the subcritical core has to be accurately determined and continuously monitored. A technique which combines the area-ratio method and the flux-to-current ratio method is purposed to determine the reactivity of the KIPT subcritical assembly at various conditions. In particular, the area-ratio method can determine the absolute reactivity of the subcritical assembly in units of dollars by performing pulsed-neutron experiments. It provides reference reactivities for the flux-to-current ratio method to track and monitor the reactivity deviations from the reference state while the facility is at other operation modes. Monte Carlo simulations are performed to simulate both methods using the numerical model of the KIPT subcritical assembly. It is found that the reactivities obtained from both the area-ratio method and the flux-to-current ratio method are spatially dependent on the neutron detector locations and types. Numerical simulations also suggest optimal neutron detector locations to minimize the spatial effects in the flux-to-current ratio method. The spatial correction factors are calculated using Monte Carlo methods for both measuring methods at the selected neutron detector locations. Monte Carlo simulations are also performed to verify the accuracy of the flux-to-current ratio method in monitoring the reactivity swing during a fuel burnup cycle.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2026

Hydrogen uptake in graphite matrix at high temperature

Tritium management is a critical challenge for the next generation of nuclear reactors, such as Fluoride Salt Cooled High Temperature Reactors (FHRs) and High Temperature Gas-cooled Reactors (HTGRs), due to the higher production rate (up to 10,000 times) than conventional Light Water Reactors (LWRs). Graphitic materials employed as moderator, reflector, and fuel pebbles offer a potential pathway for tritium recovery by serving as a sink for tritium. Prediction of uptake capacity under reactor relevant conditions remains a challenge due to a lack of low partial pressure data and significant inter-grade variability of graphite. This study addresses these gaps by providing a comprehensive characterization of hydrogen (as a tritium surrogate) uptake and release behavior in the A3-3 graphite matrix (GM) used in fuel pebbles. Uptake measurements are performed at reactor relevant temperatures of 600- 800 °C, 1-200 Torr hydrogen pressure, and 15-120 min equilibration time, followed by thermal desorption spectroscopy up to 1100 °C. Uptake experiments at different equilibration times demonstrate the role of kinetics in hydrogen uptake, which can be modeled as a diffusion-with-trapping process. In the thermodynamics limit, the Sips adsorption model is shown to capture the uptake in A3-3 GM well. Our campaign provides a set of new results for hydrogen uptake in A3-3, including limiting uptake capacity at 600 °C, apparent diffusion coefficient at 600 °C, and the first estimates of the FHR/HTGR relevant (600 °C, 20 Pa partial pressure) equilibrium uptake capacity and time to saturation. Desorption data highlights a new site for hydrogen uptake, not observed in nuclear graphite, which we attribute to the non-graphitized binder. Using the Kissinger method, we estimate activation energy for release from the desorption peaks, confirming the activation energy for release from the basal planes and providing the first estimate for the activation energy of release from the binder.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗