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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.

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At least 253 records · Page 14
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

A fast reduced model for a shell-and-tube based latent heat thermal energy storage heat exchanger and its application for cost optimal design by nonlinear programming

Numerical simulation of latent heat thermal energy storage (LHTES) systems plays a fundamental role in studying the physical process and guiding the engineering design. Discretization of the PDEs describing the nonlinear solidification/melting process of phase change materials (PCMs) leads to a large-scale complex dynamics system, where the system behavior depends on a set of parameters. In a design setting, repeated model evaluations are required over the set of parameters results in significant computational burden. In this paper, an explicit analytic solution was built for the propagation of the solidification front in a cylindrical coordinate. The analytic solution approach is further employed to develop a low computational reduced model (RM) as a module for a shell-and-tube based LHTES heat exchanger. The levelized Cost of Energy (LCOE) is used as a design metric and the RM model is used to apply system-level constraints in the nonlinear programming formulation that facilitates efficient global optimal design of the PCM properties, flow conditions and tube geometries. The use of LCOE as the design metric prevents over design of the heat transfer rate and also establishes a fair ground for evaluation of different thermal storage technologies and their integrated applications with other systems. Optimal results showed that a higher effectiveness results in a higher LCOE; the velocity of the HTF and the length of the channel are highly correlated with each other; both larger PCM latent energy and conductivity result in lower LCOE.

25 ENERGY STORAGE↗
DOE OSTI2020

Modeling of fluid injection-induced fault reactivation using coupled fluid flow and mechanical interface model

The present study is aimed at developing a numerical model to reproduce coupled hydro-mechanical processes associated with fault reactivation by fluid injection in low permeability rock, as part of the DECOVALEX-2019 project Task B. We proposed a modeling approach for simulating the processes using the TOUGH-FLAC simulator, and modeled a fault reactivation experiment conducted at Mont Terri Rock Laboratory in Switzerland. The first step of the study involved benchmark calculations considering a simplified fault plane and geometry. Fluid flow along a fault was modeled using elements of aperture-sized thickness on the basis of Darcy's law and the cubic law in TOUGH2, whereas the mechanical behavior of a single fault was represented by zero-thickness interface elements in FLAC3D upon which a slip and/or separation is allowed. A methodology to connect a TOUGH2 volume element to a FLAC3D interface element was developed for handling the hydro-mechanical interactions on the fault during fluid injection. Two different fault models for describing the evolutions of hydraulic aperture by elastic fracture opening and failure-induced aperture increase were considered in the benchmark calculations. In the coupling process, the changes in geometrical features and hydrological properties induced by mechanical deformation were continuously updated. The transient responses of the fault and host rock to stepwise pressurization were examined during the simulation. The hydro-mechanical behavior, including the injection flow rate, pressure distribution around the borehole, stress conditions, and displacements in normal and shear directions were monitored in the surrounding rock and along the fault. The results of benchmark calculations suggest that the developed model reasonably represents the hydro-mechanical behavior of a fault and the surrounding rock. This modeling approach was applied to the fault reactivation experiment of the Mont Terri Rock Laboratory. In this interpretive modeling, a parametric study was conducted to examine the effects of input parameters regarding in situ stress and fault properties on the hydro-mechanical responses of the fault to water injection. Then, an optimal parameter set to reproduce the field experiment results was chosen by trial-and-error. The injection flow rate and pressure response during fault reactivation closely matched those obtained at the site, which indicates the capability of the model to appropriately capture the progressive pathway evolution during fault reactivation tests at the site. Finally, the anchor displacements were overestimated by the model, but a fair agreement was obtained in terms of the order of magnitude and the variation tendency.

58 GEOSCIENCES↗
DOE OSTI2020

Assessment of Low-Altitude Atmospheric Turbulence Models for Aircraft Aeroelasticity

We investigate the dynamic aeroelastic response of large but slow aircraft in low-altitude atmospheric turbulence. To this end, three turbulence models of increasing fidelity, namely, the one-dimensional von Kármán model, the two-dimensional Kaimal model and full three-dimensional wind fields extracted from large-eddy simulations (LES) are used to simulate ambient turbulence near the ground. Load calculations and flight trajectory predictions are conducted for a representative high-aspect-ratio wing aircraft, using a fully coupled nonlinear flight dynamics/aeroelastic model, when it operates in background atmospheric turbulence generated by the aforementioned models. Comparison of load envelopes and spectral content, on vehicles of varying flexibility, shows strong dependency between the selected turbulence model and aircraft aeroelastic response (e.g. 58% difference in the predicted magnitude of the wing root bending moment between LES and von Kármán models). This is mainly due to the presence of large flow structures at low altitudes that have comparable dimensions to the vehicle, and which despite the relatively small wind speeds within the Earth boundary layer, result in overall high load events for slow-moving vehicles. Results show that one-dimensional models that do not capture those effects provide fairly non-conservative load estimates and are unsuitable for very flexible airframe design.

atmospheric turbulence↗
DOE OSTI2022

PDBx/mmCIF Ecosystem: Foundational Semantic Tools for Structural Biology

PDBx/mmCIF, Protein Data Bank Exchange (PDBx) macromolecular Crystallographic Information Framework (mmCIF), has become the data standard for structural biology. With its early roots in the domain of small-molecule crystallography, PDBx/mmCIF provides an extensible data representation that is used for deposition, archiving, remediation, and public dissemination of experimentally determined three-dimensional (3D) structures of biological macromolecules by the Worldwide Protein Data Bank (wwPDB, wwpdb.org). Extensions of PDBx/mmCIF are similarly used for computed structure models by ModelArchive (modelarchive.org), integrative/hybrid structures by PDB-Dev (pdb-dev.wwpdb.org), small angle scattering data by Small Angle Scattering Biological Data Bank SASBDB (sasbdb.org), and for models computed generated with the AlphaFold 2.0 deep learning software suite (alphafold.ebi.ac.uk). Community-driven development of PDBx/mmCIF spans three decades, involving contributions from researchers, software and methods developers in structural sciences, data repository providers, scientific publishers, and professional societies. Having a semantically rich and extensible data framework for representing a wide range of structural biology experimental and computational results, combined with expertly curated 3D biostructure data sets in public repositories, accelerates the pace of scientific discovery. Herein, we describe the architecture of the PDBx/mmCIF data standard, tools used to maintain representations of the data standard, governance, and processes by which data content standards are extended, plus community tools/software libraries available for processing and checking the integrity of PDBx/mmCIF data. Use cases exemplify how the members of the Worldwide Protein Data Bank have used PDBx/mmCIF as the foundation for its pipeline for delivering Findable, Accessible, Interoperable, and Reusable (FAIR) data to many millions of users worldwide.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2025

PDB-IHM: A System for Deposition, Curation, Validation, and Dissemination of Integrative Structures

Structures of many large biomolecular assemblies are now being determined using integrative approaches. In these approaches, information derived from multiple experimental and computational methods is combined to compute three-dimensional structures of multi-protein complexes and other macromolecular machines. A standalone prototype data resource for integrative structures called PDB-Dev was built, based on recommendations of the Integrative and Hybrid Methods (IHM) Task Force of the Worldwide Protein Data Bank (wwPDB). This effort included developing data standards and software tools for collecting, curating, validating, visualizing, archiving, and disseminating integrative structures that span diverse spatiotemporal scales and conformational states. Mechanisms have been created to validate integrative structures based on the experimental data underpinning them. Building upon this foundational framework, PDB-Dev has been further expanded to handle large dynamic macromolecular systems and integrative structures that combine, for example, experimental restraints with atomic coordinates computed by machine learning algorithms. Data standards and supporting tools have also been extended to capture information about biomolecular dynamics, such as conformational transitions and related kinetic data derived from biophysical methods. Recently, PDB-Dev was unified with the PDB archive and rebranded as PDB-IHM (pdb-ihm.org), further promoting FAIR (Findable, Accessible, Interoperable, and Reusable) principles of data stewardship for integrative structural biology.

IHMCIF↗
DOE OSTI2021

Isotropic nanocrystalline Sm(Fe,Co) 11.3 Ti 0.7 magnets modified with B and Zr

Rare-earth-lean Sm(Fe,Co,Ti) 12 alloys with the ThMn 12 crystal structure and less than one Ti atom per formula unit have the potential of exceptionally powerful permanent magnets, but all prior attempts to develop high coercivity in bulk alloys, especially coercivity combined with crystallographic texture, have fallen short of the expectations. This study was aimed at improvement of the currently best Sm(Fe,Co,Ti) 12 magnets prepared through melt-spinning which are inherently isotropic. Modifications of the alloys with B and Zr, already demonstrated in earlier studies to be effective separately, have been implemented simultaneously. Here, a systematic study of Sm 1.1-x (Fe,Co) 11.3-y Ti 0.7 B y alloys melt-spun at a tangential speed of 50 m/s and annealed at 600–950 °C allowed for monitoring the continuous evolution of the two consecutive crystal structures, those of the TbCu 7 and ThMn 12 types. Zirconium was found to facilitate the formation of the 1:12 structure at the expense of the 1:7, whereas boron has the opposite effect, at certain concentrations completely suppressing the 1:12. When the two alloying elements are introduced simultaneously, they inhibit growth of the 1:12 crystallites at annealing temperatures higher than 800 °C, thus allowing for the development of a higher coercivity. Because of instrumental limitations, bulk magnets were prepared through a two-step process – compaction of the melt-spun ribbons at 650 °C and additional treatment at a higher temperature – and they were characterized by a reduced, 90–93%, density. Nevertheless, an isotropic Sm 0.9 Zr 0.2 (Fe,Co) 10.8 Ti 0.7 B 0.5 magnet exhibited fair values of the remanence (7.4 kG), maximum energy product (8.5 MGOe) and coercivity (5.4 kOe), as well as high Curie temperature of 525 °C and remarkably small temperature coefficient of the coercivity, -0.25%/°C.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Design guidance for ferrites: Insights from density functional theory on magnetic properties

A grand challenge in materials research is identifying the relationship between composition and performance. Herein, we explore this relationship for magnetic properties, specifically magnetic saturation (M s ) and magnetocrystalline anisotropy energy (K) of ferrites. Ferrites are materials derived from magnetite (chemical formula = Fe 3 O 4 ) that comprise metallic elements such as Fe, Mn, Ni, Co, Cu and Zn. Experimentally, synthesizing and characterizing ferrites is time consuming. Further, selection of compositions to achieve particular magnetic properties currently relies on intuition. To address this, in this work, density functional theory (DFT) is used to predict M s and K for 571 ferrite structures. These structures are primarily double-substituted non-stoichiometric ferrites with formulae M1 x M2 y Fe 3–x–y O 4 , where M1 and M2 can be Mn, Ni, Co, Cu and/or Zn and 0 ≤ x ≤ 1 and y = 1–x. Calculated magnetic properties for the structures in this study vary from 0.04 × 10 5 to 9.6 × 10 5 A m −1 for M s and from 0.02 × 10 5 to 14.08 × 10 5 J m −3 for K. All structures are made publicly available in a FAIR database.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Adsorption of Iodine on Metal Coupons in Humid and Dry Environments

In this study, five different metal coupons were evaluated for gaseous iodine [I2(g)] adsorption including two stainless steels (i.e., SS304 and SS316), two Inconel® alloys (i.e., 625 and 718) and pure Ni (i.e., Ni-200) within a dynamic flow-through system where temperature, iodine concentration, flow rate, atmosphere, and relative humidity were controlled. Humidity was shown to be critical to iodine adsorption on SS304 and SS316 and Ni-200 at ambient temperatures. The results presented herein suggest that a moisture mediated reaction is occurring. However, higher humidity levels decrease the adsorption, suggesting an ideal range of humidity for highest corrosion. A comparison of the five metal substrates showed the highest I2(g) adsorption in the following descending order Ni-200 > SS304 > SS316 >718>625.The 625 and 718 Inconel alloys were fairly inert to iodine adsorption under the conditions tested. Characterization by scanning electron microscopy, energy dispersive X-ray spectroscopy, and X-ray diffraction of the Ni-200 coupon indicates that NiI2 is formed and flakes off the surface as a black powder. The SS304 and SS316 coupons showed evidence of extensive reactions with I2(g) and formed a much more deliquescent corrosion product, which reacted with air when removed from the flow-through system for weighing on the analytical balance. These findings assist in predicting iodine adsorption behavior on a variety of metal surfaces under various conditions.

Beck, Chelsie L.↗
DOE OSTI2022

Small-scale mechanical testing and characterization of fuel cladding chemical interaction between HT9 cladding and advanced U-based metallic fuel alloy

Fuel cladding chemical interactions (FCCI) occurred on the interface between the nuclear metal fuel and cladding is the primary cause of cladding wastage, weakening cladding mechanical integrity, and placing fuel and cladding at risk. Although the microstructural and phase information of FCCI has been fairly understood, mechanical properties remain less studied due to limited reaction volume. Here, through a combining of advanced electron microscopy characterizations and small-scale mechanical testing techniques, including indentation and micro-tensile testing, this study investigated the microscale mechanical properties of FCCI between the ferritic/martensitic (F/M) HT9 cladding and an advanced Uranium (U)-based metallic fuel irradiated at the Advanced Test Reactor to 2.2% FIMA with peak inner cladding temperature reached to 650 °C. Mechanical testing results show significant hardening and embrittlement in the FCCI region. The brittle fracture of FCCI specimen is mainly attributed to the formation of nano-crystallized intermetallic σ-FeCr phase. Whereas mechanical softening was revealed in the unreacted HT9 matrix due to irradiation-induced microstructural and microchemical evolution, specifically, the disappearance of martensitic lath structure and the formation of Fe 2 Mo Laves phase precipitation which consumed the solid solution strengthening Mo from the F/M HT9 matrix. Due to the achieved high cladding temperature, this fuel pin is of particular significance for revealing the high-temperature irradiation effect on the mechanical properties of HT9 cladding. Therefore, the outcomes of this study are expected to contribute to the development of multi-scale mechanical behavior modeling of HT9 cladding for Generation IV reactors which requires cladding to run at higher temperature (above 600 ?).

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2022

Measurement of Helium and Xenon Knudsen permeability in graphite IG-11

Here, understanding the flow and diffusion (transport) of gases through nuclear graphite is of interest in both the prismatic and pebble bed high-temperature gas reactors (HTGRs), for normal operation and under accident conditions, for example, as related to graphite oxidation. Both the laminar and turbulent gaseous transport are of interest. It has also been noted that nuclear graphite can have pore sizes that can possibly lead to non-continuum transport, as the pore size can be comparable to the gaseous mean free path. We report measurements and analyzes of experiments performed with IG-11 graphite in the pressure range of 10 Pa to 14,700 Pa, 293 K, using Helium, and research grade xenon (99.999%), respectively. These values are in fair agreement with those reported for different graphites and gases by other investigators, but are also higher by six orders of magnitude than those reported for Kr permeability in a developmental very low permeability graphite-HXT-90. Our measured ratio of the Helium and Xenon permeabilities is about 4, different from $\sqrt{\frac{m_{Xe}}{m_{He}}}$ ≈ 5.72 that corresponds to diffuse reflection at the graphite surface for both gases. Simple analysis indicates that the two gases have slightly different accommodation coefficients (about 25%) with the graphite surface. However, there could also be other reasons, such as experimental uncertainties or the need for a more detailed analysis.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Pore-scale evidence of ion exclusion during methane hydrate growth and evolution of hydrate pore-habit in sandy sediments

Hydrate-bearing sediments constitute complex hydrological systems, within which the pore habit of hydrate significantly affects all physical properties. However, there is scarce pore-scale evidence of the evolution of hydrate growth in porous media and the influence of water salinity in the micro-morphology of hydrate. In this paper, we used X-ray computed micro-tomography (CT) to monitor three experiments of methane hydrate growth in sand partially saturated with either NaBr or KI brine under excess-gas conditions. Gas, brine and hydrate are observed to co-exist at the pore-scale during the evolution of hydrate pore-habit towards three-phase equilibrium. The experiments and data analysis reveal that (1) hydrate forms as a porous medium mixed with inclusions of brine and gas, where hydrate and brine evolve gradually into separate phases as hydrate cages exclude salt ions, (2) hydrate growth mobilizes water over fairly long distances resulting in heterogeneous hydrate distribution, and (3) hydrate can exhibit interconnecting pore-habit at local hydrate saturations higher than ~50%, even if grown under excess-gas conditions. The results imply that hydrate micro-morphology and pore habit evolve during hydrate formation and, we suggest, so do the physical properties of hydrate-bearing sediments. Furthermore, our findings provide new insights into the micro-morphology of hydrate and evolution of the properties of hydrate-bearing sediments synthesized in the laboratory and in natural systems.

Clathrate hydrate↗
DOE OSTI2023

Striking stability of a mixed-valence thallium(III)-thallium(I) complex in some solvents

At the dissolution of solid anhydrous thallium(III) trifluoromethanesulfonate, Tl(CF 3 SO 3 ) 3 , or thallium(III) trifluoroacetate, Tl(CF 3 COO) 3 , in dimethylsulfoxide (dmso) or N,N,N’,N’-tetramethylurea (tmu), intensely red-colored complexes are formed. This red thallium complex is stable for years in dmso, while it is reduced fairly rapidly to thallium(I) in tmu with a half-life time of an hour. At the dissolution of Tl(CF 3 SO 3 ) 3 in N,N-dimethylpropyleneurea (dmpu) an immediate reduction to thallium(I) takes place. A stable colorless aqueous thallium(III) solution is obtained at the dissolution in acidic water. Stable dmso solutions and solid dmso solvates of thallium(III) perchlorate, nitrate and trifluormethanesulfonate can be prepared by adding dmso to concentrated acidic aqueous thallium(III) solutions. These experimental observations conclude that the pure solids Tl(CF 3 SO 3 ) 3 and Tl(CF 3 COO) 3 play an essential role in the formation of the red-colored thallium complexes. 205 Tl NMR data show that the red thallium complex contains equal amounts of thallium(III) and thallium(I). The structure of the red thallium complex in dmso, as determined by EXAFS, has Tl–O bond distances of 2.216(3) and 2.80(2) Å, which are in very close agreement with the bond distances obtained in the pure dmso solvates of the thallium(III) and thallium(I) ions, respectively, and a Tl···Tl distance of 3.49(1) Å bridged by oxygen atoms. From the EXAFS data it is impossible to distinguish if dmso molecules and/or trifluoromethanesulfonate ions act as bridges. DFT calculations could eliminate some structures due to the irrelevant structural parameters or the energetics of the proposed reactions.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Effect of alloying on intrinsic ductility in WTaCrV high entropy alloys

Tungsten (W) exhibits desirable properties for extreme applications, such as the divertor in magnetic fusion reactors, but its practicality remains limited due to poor formability and insufficient irradiation resistance. In this work, we study the intrinsic ductility of body-centered cubic WTaCrV based high entropy alloys (HEAs), which are known to exhibit excellent irradiation resistance. The ductility evaluations are carried out using a criterion based on the competition between the critical stress intensity factors for emission (K Ie ) and cleavage (K Ic ) in the {110} slip planes and {110} crack planes, which are evaluated within the linear elastic fracture mechanics framework and computed using density functional theory. The results suggest that increasing the alloying concentrations of V and reducing the concentrations of W can significantly improve the ductility in these HEAs. The elastic anisotropy for these HEAs is analyzed using the Zener anisotropy ratio and its correlation with the concentration of W in the alloys is studied. Results indicate that these alloys tend to be fairly isotropic independently from the concentration of W in them. The computed data for the elastic constants of these HEAs is also compared against available experimental data. The results are in good agreement, validating the robustness and accuracy of the computational methods. Multiple phenomenological ductility metrics were also computed and analyzed against the analytical model. Some metrics, mainly the surrogate D parameter, show a good correlation with the Rice model. The potential of these empirical metrics to serve as surrogate screening models for optimizing the compositional space is also discussed.

Anisotropy↗
DOE OSTI2023

Nuclear Structure and Decay Data for A=44 Isobars

Experimental nuclear spectroscopic data are evaluated for 12 known nuclides of mass number A=44 (Si, P, S, Cl, Ar, K, Ca, Sc, Ti, V, Cr, Mn). Detailed evaluated information are presented for each reaction and decay. Recommended values combining all available data are provided for all spectroscopic properties of each level, γ-ray, and decay radiation. No excited states have yet been identified in 44 Si, 44 P, 44 Cr, and 44 Mn. Information for excited states in 44 Cl and 44 V are limited. Nuclides of 44 S, 44 Ar and 44 K have been studied via only a few reactions and decays, while 44 Ca, 44 Sc and 44 Ti are the most investigated nuclides through various reactions and decays. Evaluators note that the half-life of the g.s. of 44 S has been measured independently, with fairly good statistics, in three references, most precise being 100 ms 1 by 2004Gr20, but this value is in disagreement with the values of 125.5 ms 25 and 119 ms 6 by 2022Tr03, and 123 ms 10 by 1995So03. We adopted the unweighted average of this discrepant dataset. Another outstanding issue is that of the β + -delayed proton decay of 44 Cr g.s. to 44 V, where the T=2, 0 + IAS state in 44 V is expected to be strongly populated by a superallowed β transition, but has not been definitely identified as discussed in detail by 2020Fu05. A detailed study of 44 Cr decay is required to unravel the status of the T=2, 0 + IAS state in 44 V. Furthermore, this work supersedes earlier ENSDF evaluations of A=44 by 2011Ch39 and 1999Ca45.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2020

Limitations of traditional tools for beyond design basis external hazard PRA

Probabilistic risk assessment (PRA) is being used increasingly by the nuclear industry for safety during normal operations as well as for the protection against external hazards. Computation of total risk in an external hazard PRA is dependent on hazard assessment, fragility assessment, and systems analysis. A systems analysis for propagation of component fragilities is conducted using event and fault trees. The event and fault trees for an actual power plant can be fairly large in size, which imposes computational challenges. Hence, certain assumptions are employed for computational efficiency. These assumptions typically represent the conditions imposed during the design basis (DB) scenario. The traditional PRA tools based on these assumptions are also widely applied to perform risk assessment in the context of beyond design basis (BDB) scenarios. However, some of these assumptions may not be valid for certain BDB scenarios. In addition, the probability of dependent failures also increases in BDB scenarios due to common cause failures (CCF) which usually results from design modifications, human errors, etc. In this manuscript, a simple and a relatively more complex illustrative examples are used to show the limitation of these assumptions in the numerical quantification of risk for the case of BDB conditions. Case studies with CCF events across multiple fault trees are also presented to illustrate the effect of these assumptions when traditional approach is used in BDB risk assessment. It is shown that the assumptions are valid for the case of DB conditions but may lead to excessively conservative risk estimates in the case of BDB conditions. Finally, a Bayesian network based top-down algorithm is proposed as an alternative tool for accurate numerical quantification of total risk in systems analysis.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2021

Comparative study with two reduced test facilities for air-cooled RCCS scaling law

Korea Atomic Energy Research Institute (KAERI) and Argonne National Laboratory (ANL) conducted steady-state tests at constant heat flux conditions to investigate the scale effect on heat removal behavior of the air-cooled Reactor Cavity Cooling System (RCCS). Two differently scaled-down test facilities were used in this study, KAERI’s ¼ scale with 4.0-m cavity height, and ANL’s ½ scale with 6.8-m cavity height. Two scaling laws were proposed to simulate the radiation across the cavity and the buoyancy-driven duct flow in the riser, respectively. The test matrix for KAERI and ANL test facilities focused on the scaling effect of the heated riser length with constant heat flux at the PMR200 RCCS design. The test results showed that mixed convection in the riser duct is an important factor for accurately extrapolating the thermo-fluid behavior in the prototype from the test results in the scale-down facilities. The system analysis code, GAMMA+, with improved heat transfer models predicted fairly well the air-cooled RCCS test data from two facilities. GAMMA+ analysis results showed that the predicted radiation fractions on the heated plate in the scale-down test conditions were larger than those on the reactor vessel in the prototype. The scaling law for air-cooled RCCS was improved by considering the mixed convection in the riser duct and the same radiation fraction on the heated plate. The mixed convection effect was calculated by the height ratio. The same radiation fraction provided a conservative extrapolation from the scale-down test results.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2022

Nuclear data uncertainty propagation applied to the versatile test reactor conceptual design

We report the Versatile Test Reactor (VTR) currently under development is a 300 MWth sodium-cooled fast reactor (SFR) fueled with ternary metal alloy fuel, which aims to accelerate the testing of advanced nuclear fuels, materials, instrumentation, and sensors in high flux environments that are necessary to license the next generation of advanced reactor concepts. To support the VTR design process, uncertainties associated with the nuclear data has been propagated through the reactor core neutronics calculation to global parameters of interest, such as the core multiplication factor, kinetic parameters, and various reactivity feedback coefficients, following the sensitivity based uncertainty propagation approach. By folding the sensitivity coefficients, separately computed by the generalized perturbation theory code PERSENT and Monte Carlo code Serpent 2, with the variance-covariance matrices from COMMARA-2.0, we obtain the reaction-wise, isotope-wise, and overall uncertainties for each response of interest due to nuclear data uncertainty. With Serpent 2, the statistical error of the uncertainty is obtained by propagating the statistical error of the sensitivity coefficients through the same process using a newly developed uncertainty propagation method. From both codes, the overall top uncertainty contributors are found to be the cross section of Fe-56 elastic scattering, Na-23 elastic scattering, and U 238 inelastic scattering. The large contributions of the Fe-56 elastic scattering cross sections to global parameters are due to its relatively large relative uncertainty of 5–10% in nuclear data and the large volume of Fe-containing reflector assemblies in the fairly compact VTR core design. Both codes agreed well for the overall uncertainty estimates of all responses of interest, except the delayed neutron fraction, prompt neutron generation time, and the coolant density feedback coefficient, where Serpent 2 yielded a much larger value than PERSENT due to the large statistical error of sensitivity coefficients. The calculated uncertainties are also compared to those associated with other SFR cores. Another outcome of this study is a variance-covariance matrix of reactivity coefficients, which can be used in the subsequent uncertainty propagation to the system level to investigate the impact of identified uncertainties on system responses in the safety analysis.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗