Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “Comprehensive”

Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 1,369 records · Page 76
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

A simple convertible electrolyzer in membraneless and membrane-based modes for understanding water splitting mechanism

State-of-the-art membrane-based electrolyzers such as proton exchange membrane electrolyzer cells, are costly, susceptible to degradation, and time-consuming for electrode evaluation and triple-phase boundary electrochemical reaction studies. Here, a simple convertible electrolyzer in membraneless and membrane-based modes is proposed. For the first time, this enables comprehensive investigations of water splitting with pure water, acidic and alkaline electrolytes in one cell. With the simple electrolyzer and high-speed visualization system, the influences of flow rate, electrolytes, concentration, and Nafion membrane on the oxygen evolution reactions (OERs), hydrogen evolution reactions (HERs) and electrolyzer performance are comprehensively investigated. Visualization results reveal that water splitting only occurred at the edge between the electrode and the Nafion membrane in pure water. However, they occurred on the whole electrode surface in alkaline and acidic electrolytes, indicating easily tunable reaction sites with the convertible electrolyzer. This demonstrates the feasibility of using the simple convertible electrolyzer for understanding the water splitting mechanism. The relation between electrolyte thickness and resistances with different electrolytes is also quantified. This research provides an insight for optimizing electrochemical devices while delivering an inexpensive and fast way for electrode evaluations and electrochemical reaction studies.

25 ENERGY STORAGE↗
DOE OSTI2024

Cohesive phase-field chemo-mechanical simulations of inter- and trans- granular fractures in polycrystalline NMC cathodes via image-based 3D reconstruction

The optimal design and durable utilization of lithium-ion batteries necessitates an objective modeling approach to understand fracture and failure mechanisms. This paper presents a comprehensive chemo-mechanical modeling study focused on elucidating fracture-induced damage and degradation phenomena in the polycrystalline Li $\mathcal{x}$ Ni 0.5 Mn 0.3 Co 0.2 O 2 (NMC532) cathode. An innovative approach that utilizes image-based reconstructed 3D geometry as finite element (FE) mesh input is employed to enhance the precision in capturing the convoluted architecture and morphological features. For accurately representing the intricate crack configurations within the polycrystalline system, we adopted the cohesive phase-field fracture (CPF) model. Through the integration of advanced image-based geometry reconstruction technique and the promising CPF modeling approach, lithium (de)intercalation induced crack evolution (e.g., nucleation, propagation, branching and diverse modes including inter-/trans-(intra-) granular patterns) and the resulting chemical degradation can be precisely captured, which is also compared and validated with numerical predictions using a continuum damage model. In particular, this model predicts fracture induced degradation under varying fracture properties of grain boundaries and charging rates; the conclusion that NMC particles comprised of larger grains are predicted to have less degradation than those with smaller grains can also be drawn. This comprehensive analysis provides valuable insights into the fracture and degradation within polycrystalline NMC cathodes.

25 ENERGY STORAGE↗
DOE OSTI2025

A quantitative risk assessment framework for fault reactivation in underground hydrogen storage: Coupled simulation and deep learning approach

Underground hydrogen storage (UHS) is emerging as a critical solution for large-scale energy storage. However, like all subsurface fluid injection activities, UHS poses the risk of injection-induced fault reactivation. Accurate risk assessment is essential to ensuring the safety and efficiency of UHS operations. This study presents the development of deep-learning surrogate models for fault reactivation prediction in UHS, trained on a comprehensive database of fully coupled fluid flow-geomechanics simulations. Our findings reveal that analytical models often yield unreliable estimates, with errors up to 54% in the allowable injection pressure, potentially leading to a 40% reduction in UHS operational capacity. The developed surrogate models were incorporated into a quantitative risk assessment (QRA) framework, enabling probabilistic evaluation of fault reactivation risk while accounting for uncertainties in the input variables. Site-specific features, such as horizontal stress gradients, fault’s dip and strike angles, and operational parameters like bottom-hole injection pressure and well-fault distance, were identified as the primary drivers of fault reactivation across various stress regimes. Whereas other hydraulic, geological, and poroelastic reservoir properties were found to have a secondary impact. Notably, we observed that the risk of fault reactivation for a critically oriented fault with a static friction coefficient greater than 0.55 remains below 10% in a normal faulting stress regime. However, the risk significantly increases as the stress regime transitions from normal to strike-slip and ultimately to reverse faulting conditions. These findings underscore the importance of rigorous site characterization and comprehensive QRA evaluations to optimize UHS performance and minimize geomechanical risks.

25 ENERGY STORAGE↗
DOE OSTI2017

Synthesis and characterization of metastable, 20 nm-sized Pna2{sub 1}-LiCoPO{sub 4} nanospheres

The majority of research activities on LiCoPO{sub 4} are focused on the phospho-olivine (space group Pnma), which is a promising high-voltage cathode material for Li-ion batteries. In contrast, comparably little is known about its metastable Pna2{sub 1} modification. Herein, we present a comprehensive study on the structure–property relationships of 15–20 nm Pna2{sub 1}-LiCoPO{sub 4} nanospheres prepared by a simple microwave-assisted solvothermal process. Unlike previous reports, the results indicate that the compound is non-stoichiometric and shows cation-mixing with Co ions on the Li sites, which provides an explanation for the poor electrochemical performance. Co L{sub 2,3}-edge X-ray absorption spectroscopic data confirm the local tetrahedral symmetry of Co{sup 2+}. Comprehensive studies on the thermal stability using thermogravimetric analysis, differential scanning calorimetry, and in situ powder X-ray diffraction show an exothermic phase transition to olivine Pnma-LiCoPO{sub 4} at 527 °C. The influence of the atmosphere and the particle size on the thermal stability is also investigated. - Graphical abstract: Blue nano-sized Pna2{sub 1}-LiCoPO{sub 4,} featuring tetrahedrally-coordinated Co{sup 2+}, was synthesized in a rapid one-step microwave-assisted solvothermal process. The phase relation between this metastable and the stable polymorph was analyzed and electrochemical properties are discussed. - Highlights: • Preparation of uniform 15–20 nm nanospheres of metastable Pna2{sub 1}-LiCoPO{sub 4} polymorph. • Structure redetermination shows cation-mixing (Co blocking Li sites). • In situ investigation of phase transformation to olivine Pnma-LiCoPO{sub 4} at 527 °C. • Pna2{sub 1}-LiCoPO{sub 4} reemerges as a stable high-temperature phase above 800 °C. • X-ray absorption spectroscopy confirms local tetrahedral symmetry (T{sub d} Co{sup 2+}).

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

India National Gas Hydrate Program Expedition 02 Summary of Scientific Results: Numerical Simulation of Reservoir Response to Depressurization

The India National Gas Hydrate Program Expedition 02 (NGHP-02) discovered gas hydrate at high saturation in sand reservoirs at several sites in the deepwater Bay of Bengal. To assess the potential response of those deposits to scientific depressurization experiments, comprehensive geologic models were constructed to enable numerical simulation for two sites. Both sites (NGHP-02-09 and NGHP-02-16) feature thick sequences of thinly-interbedded reservoir and non-reservoir facies at sub-seafloor depths less than 300m and sub-sea depths of 2400m or more. These settings pose significant challenges to current modeling capabilities. First, the thinly-interbedded reservoir architecture complicates the determination of basic reservoir parameters from both log and core data due to measurement resolution issues. Secondly, the fine scale variation in sediment properties imparts great contrasts in key parameters over very short distances, creating high gradients at multiple scales and varying orientations that necessitate careful design of high-definition simulation grids. Thirdly, the deposits include internal sources of water, as well as a range of complex boundary conditions, including variable permeability within the overlying mud-rich “seals,” that complicate reservoir depressurization. Lastly, because of the unique combination of great water depth and relatively shallow sub-seafloor depth: models designed to maximize the dissociation rate impose large pressure drawdowns on relatively low-strength sediments. This condition renders the proper evaluation and integration of the geomechanical response to hydrate dissociation critical. In this report, we review the history of gas hydrate reservoir simulation, discuss methods for creating geologic input models, and summarize the key findings and implications of the collaborative NGHP-02 numerical simulation effort. Together, the studies confirm the viability of the modeled accumulations for scientific testing and identify key challenges related to the selection of specific test sites and the design of test wells.

Boswell, Ray↗
DOE OSTI2015

The interfacial orientation relationship of oxide nanoparticles in a hafnium-containing oxide dispersion-strengthened austenitic stainless steel

This work reports comprehensive investigations on the orientation relationship of the oxide nanoparticles in a hafnium-containing austenitic oxide dispersion-strengthened 316 stainless steel. The phases of the oxide nanoparticles were determined by a combination of scanning transmission electron microscopy–electron dispersive X-ray spectroscopy, atom probe tomography and synchrotron X-ray diffraction to be complex Y–Ti–Hf–O compounds with similar crystal structures, including bixbyite Y{sub 2}O{sub 3}, fluorite Y{sub 2}O{sub 3}–HfO{sub 2} solid solution and pyrochlore (or fluorite) Y{sub 2}(Ti,Hf){sub 2−x}O{sub 7−x}. High resolution transmission electron microscopy was used to characterize the particle–matrix interfaces. Two different coherency relationships along with one axis-parallel relation between the oxide nanoparticles and the steel matrix were found. The size of the nanoparticles significantly influences the orientation relationship. The results provide insight into the relationship of these nanoparticles with the matrix, which has implications for interpreting material properties as well as responses to radiation. - Highlights: • The oxide nanoparticles in a hafnium-containing austenitic ODS were characterized. • The nanoparticles are Y–Hf–Ti–O enriched phases according to APT and STEM–EDS. • Two coherency and an axis-parallel orientation relationships were found by HR-TEM. • Particle size has a prominent effect on the orientation relationship (OR). • Formation mechanism of the oxide nanoparticles was discussed based on the ORs.

36 MATERIALS SCIENCE↗
DOE OSTI2016

Precipitation in Mg-Gd-Y-Zr Alloy: Atomic-scale insights into structures and transformations

This paper reports on a comprehensive investigation, using atomic-scaled C{sub s} corrected high angle annular dark field-scanning transmission electron microscopy (HAADF-STEM), of the precipitation in Mg-9.28Gd-2.93Y-0.35Zr, including structures of the precipitates and several structural transformation processes. The precipitation sequence is identified as: Super saturated solid solution → clusters → nucleation β{sup '} (major)/ β{sub H} (minor)→ precipitate β{sup '} (major)/ β{sub M} , β{sub T}{sup '} (minor)→β{sub 1} → β(Equilibrium). Under peak-age condition, the strengthening structure is independent defect-free β{sup '} with little interaction among each other. Under over-age condition, the β{sup '} precipitates start to interact with each other, during which coarsening and orientation transformation of β{sup '} precipitates take place. The coarsening and orientation transformation, in which some RE atoms in the precipitates need to change their positions, are achieved by β{sub M} and β{sub T}{sup '} as transitional structures. - Highlights: • The precipitation in Mg-Gd-Y-Zr is comprehensively investigated by advanced atomic-scale Cs-corrected HAADF-STEM. • Various novel precipitate structures are unraveled. • Four types of interfaces between the precipitates are fully characterized. • The structural transformation processes of the precipitates are revealed.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Characteristic orientation relationships in nanoscale Al-Al2Cu Eutectic

Highlights: • Nano-scale lamellar Al-Al{sub 2}Cu eutectic was synthesized by laser surface remelting. • Orientation relationship (OR) is {211}{sub Al2Cu}||{111}{sub Al} and <120>{sub Al2Cu}||<110>{sub Al.} • The OR has two variants, I has (001){sub Al2Cu}||{001}{sub Al} and II has (001){sub Al2Cu}||{111}{sub Al.} • Variant I is associated with low energy interfaces. - Abstract: A fully lamellar Al-Al{sub 2}Cu eutectic comprising alternate nano-scale α-Al and θ-Al{sub 2}Cu phases was synthesized through laser surface remelting of a cast Al-32.7 wt% Cu alloy. The orientation relationship between α-Al and θ-Al{sub 2}Cu phases was investigated from Kikuchi patterns obtained using electron backscattered diffraction (EBSD) and t-EBSD techniques. The characteristic orientation relationship (OR), {211}{sub Al2Cu}||{111}{sub Al} and <120>{sub Al2Cu}||<110>{sub Al}, was observed independent of interlamellar spacing. This OR has two variants where, besides the two parallel planes, the variant I exhibits (001){sub Al2Cu}||{001}{sub Al} and the variant II exhibits (001){sub Al2Cu}||{111}{sub Al}. Variant I prevails over variant II in laser-processed α-Al and θ-Al{sub 2}Cu nano-laminates, and atomistic modeling indicates that this is due to the low energy interfaces associated with variant I, i.e., {211}{sub Al2Cu}||{111}{sub Al} or (001){sub Al2Cu}||{001}{sub Al}. A comprehensive understanding of the crystallographic orientation relationships between two phases may help predict or explain the active slip systems in fine-scale Al-Al{sub 2}Cu eutectic and other cubic-tetragonal two-phase materials.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2018

Comparative study of Sc and Er addition on microstructure, mechanical properties, and electrical conductivity of Al-0.2Zr-based alloy cables

Highlights: • The comprehensive properties of Al-0.2Zr-0.1Sc were better than those of Al-0.2Zr-0.1Er alloy cable. • The microstructures evolved from fibrous grains to equiaxed grains with increasing annealing time. • The Zener drag force increased with increasing ratio of volume fraction (F{sub V}) to average diameter F{sub V}/ d-bar . • The capability to inhibit recrystallization was as follows: Al{sub 3}(Zr, Sc) > Al{sub 3}(Zr, Er) > Al{sub 3}Zr. - Abstract: The effect of the addition of 0.1 wt% Sc and 0.1 wt% Er on the deformation microstructure, Vickers microhardness, and electrical conductivity of Al-0.2 wt% Zr-based alloy cables annealed at 400 °C for different times was investigated. The comprehensive properties of Al-0.2Zr-0.1Sc were better than those of Al-0.2Zr-0.1Er. The optimal conditions for the Al-0.2Zr-01Sc alloy cable were a microhardness of 575 MPa, an electrical conductivity of 34.5 MS/m for an annealing time of 36 h, and those for the Al-0.2Zr-0.1Er alloy cable were a microhardness of 550 MPa, an electrical conductivity of 33.6 MS/m for an annealing time of 8 h. During the annealing process, dispersed Al{sub 3}(Zr,Sc/Er) precipitates were generated, which substantially impeded recrystallization by Zener pining of grain boundaries. Based on the ratio of volume fraction (F{sub V}) to average diameter ( d-bar ) of the precipitates, their capability to inhibit recrystallization was as follows: Al{sub 3}(Zr, Sc) > Al{sub 3}(Zr, Er) > Al{sub 3}Zr. Moreover, the electrical conductivity of Al-0.2Zr-0.1Sc was better than that of Al-0.2Zr-0.1Er, probably because Sc could better inhibit recrystallization than Er, leading to fewer grain boundaries and hence lesser electron scattering.

36 MATERIALS SCIENCE↗
DOE OSTI2014

Methanol conversion to light olefins over nanostructured CeAPSO-34 catalyst: Thermodynamic analysis of overall reactions and effect of template type on catalytic properties and performance

Graphical abstract: In this research nanostructured CeAPSO-34 was synthesized to explore the effect of TEAOH and morpholine on its physiochemical properties and MTO performance. Prepared catalysts were characterized with XRD, FESEM, BET, FTIR and NH3-TPD techniques. The results indicated that the nature of the template determines the physiochemical properties of CeAPSO-34 due to different rate of crystal growth. The catalyst obtained by using morpholine showed longer life time as well as sustaining light olefins selectivity at higher values. Furthermore, a comprehensive thermodynamic analysis of overall reactions network was carried out to address the major channels of methanol to olefins conversion. - Highlights: • Introduction of Ce into SAPO-34 framework. • Comparison of CeAPSO-34 synthesized using morpholine and TEAOH. • The nature of the template determines the physiochemical properties of CeAPSO-34. • Morpholine enhances catalyst lifetime in MTO process. • Presenting a complete reaction network for MTO process. - Abstract: TEAOH and morpholine were employed in synthesis of nanostructured CeAPSO-34 molecular sieve and used in methanol to olefins conversion. Prepared samples were characterized by XRD, FESEM, EDX, BET, FTIR and NH{sub 3}-TPD techniques. XRD patterns reflected the higher crystallinity of the catalyst synthesized with morpholine. The FESEM results indicated that the nature of the template determines the morphology of nanostructured CeAPSO-34 due to different rate of crystal growth. There was a meaningful difference in the strength of both strong and weak acid sites for CeAPSO-34 catalysts synthesized with TEAOH and morpholine templates. The catalyst synthesized with morpholine showed higher desorption temperature of both weak and strong acid sites evidenced by NH{sub 3}-TPD characterization. The catalyst obtained using morpholine template had the longer lifetime and sustained desired light olefins at higher values. A comprehensive thermodynamic analysis of overall reactions network was carried out to address the major channels of methanol to olefins conversion.

36 MATERIALS SCIENCE↗
DOE OSTI2015

Adjuvant radiation therapy for bladder cancer: A dosimetric comparison of techniques

Trials of adjuvant radiation after cystectomy are under development. There are no studies comparing radiation techniques to inform trial design. This study assesses the effect on bowel and rectal dose of 3 different modalities treating 2 proposed alternative clinical target volumes (CTVs). Contours of the bowel, rectum, CTV-pelvic sidewall (common/internal/external iliac and obturator nodes), and CTV-comprehensive (CTV-pelvic sidewall plus cystectomy bed and presacral regions) were drawn on simulation images of 7 post-cystectomy patients. We optimized 3-dimensional conformal radiation (3-D), intensity-modulated radiation (IMRT), and single-field uniform dose (SFUD) scanning proton plans for each CTV. Mixed models regression was used to compare plans for bowel and rectal volumes exposed to 35% (V{sub 35%}), 65% (V{sub 65%}), and 95% (V{sub 95%}) of the prescribed dose. For any given treatment modality, treating the larger CTV-comprehensive volume compared with treating only the CTV-pelvic sidewall nodes significantly increased rectal dose (V{sub 35%} {sub rectum}, V{sub 65%} {sub rectum}, and V{sub 95%} {sub rectum}; p < 0.001 for all comparisons), but it did not produce significant differences in bowel dose (V{sub 95%} {sub bowel}, V{sub 65%} {sub bowel}, or V{sub 35%} {sub bowel}). The 3-D plans, compared with both the IMRT and the SFUD plans, had a significantly greater V{sub 65%} {sub bowel} and V{sub 95%} {sub bowel} for each proposed CTV (p < 0.001 for all comparisons). The effect of treatment modality on rectal dosimetry differed by CTV, but it generally favored the IMRT and the SFUD plans over the 3-D plans. Comparison of the IMRT plan vs the SFUD plan yielded mixed results with no consistent advantage for the SFUD plan over the IMRT plan. Targeting a CTV that spares the cystectomy bed and presacral region may marginally improve rectal toxicity but would not be expected to improve the bowel toxicity associated with any given modality of adjuvant radiation. Using the IMRT or the SFUD plans instead of the 3-D conformal plan may improve both bowel and rectal toxicity.

61 RADIATION PROTECTION AND DOSIMETRY↗
DOE OSTI2014

First Compilation and Evaluation of Beta-Delayed Neutron Emission Probabilities and Associated Half-Lives for A ≤ 72 Nuclei

A comprehensive compilation and evaluation of beta-delayed neutron (β{sup −}n) emission probabilities, P{sub n}, and associated half-lives for A ≤ 72 nuclei has been performed for the first time. The recommended values have been used to analyze the systematics of β{sup −}n emission in this region. The ratio P{sub n}/T{sub 1/2} is better correlated with the Q-value of the β{sup −}n decay mode than the previously proposed Kratz-Herrmann Formula (KHF). The recommended values are also compared with theoretical quasi-particle random phase approximation (QRPA) calculations.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2014

Nuclear Data Sheets for A = 235

Spectroscopic data and level schemes from radioactive decay and nuclear reaction studies are presented here for all nuclei with mass number A=235. The highlight of this evaluation consists of the precise and comprehensive Coulomb excitation study (2012Wa35) on {sup 235}U, which in addition to the 7/2[743] ground state rotational band, extended the 1/2[631], 5/2[622], 5/2[752], and 3/2[631] rotational bands up to Jπ=53/2+, 49/2+, 441/2−, and 43/2+, respectively. This evaluation presents a study (2010Hu02) of the {sup 237}Np({sup 116}Sn, {sup 118}Snγ) reaction where the ground state rotational band 5/2[642] was observed up to Jπ=(53/2+). It is worth for historical knowledge to mention the report on the “Discovery of isotopes of the transuranium elements with 93≤Z≤98” (2013Fr02), where the information for elements Np, Pu, and Am with mass number A=235 is given. {sup 235}Cf has not been observed. The alpha hindrance factors (HF) presented in this evaluation were calculated using values of the radius parameter (r{sub 0}) interpolated from those for even–even adjacent nuclei given by 1998Ak04.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2020

IRDFF-II: A New Neutron Metrology Library

High quality nuclear data is the most fundamental underpinning for all neutron metrology applications. This paper describes the release of version II of the International Reactor Dosimetry and Fusion File (IRDFF-II) that contains a consistent set of nuclear data for fission and fusion neutron metrology applications up to 60 MeV neutron energy. The library is intended to support: a) applications in research reactors; b) safety and regulatory applications in the nuclear power generation in commercial fission reactors; and c) material damage studies in support of the research and development of advanced fusion concepts. The paper describes the contents of the library, documents the thorough verification process used in its preparation, and provides an extensive set of validation data gathered from a wide range of neutron benchmark fields. The new IRDFF-II library includes 119 metrology reactions, four cover material reactions to support self-shielding corrections, five metrology metrics used by the dosimetry community, and cumulative fission products yields for seven fission products in three different neutron energy regions. In support of characterizing the measurement of the residual nuclei from the dosimetry reactions and the fission product decay modes, the present document lists the recommended decay data, particle emission energies and probabilities for 68 activation products. It also includes neutron spectral characterization data for 29 neutron benchmark fields for the validation of the library contents. Additional six reference fields were assessed (four from plutonium critical assemblies, two measured fields for thermal-neutron induced fission on 233U and 239Pu targets) but not used for validation due to systematic discrepancies in C/E reaction rate values or lack of reaction-rate experimental data. Another ten analytical functions are included that can be useful for calculating average cross sections, average energy, thermal spectrum average cross sections and resonance integrals. The IRDFF-II library and comprehensive documentation is available online at www-nds.iaea.org/IRDFF/. Evaluated cross sections can be compared with experimental data and other evaluations at www-nds.iaea.org/exfor/endf.htm. The new library is expected to become the international reference in neutron metrology for multiple applications.

IAEA IRDFF↗
DOE OSTI2020

Applying a Template of Expected Uncertainties to Updating 239 Pu(n,f) Cross-section Covariances in the Neutron Data Standards Database

Templates of uncertainties expected in specific measurement types were recently developed. One aim of these templates is to help evaluators in identifying (1) missing or suspiciously low uncertainties and (2) missing correlations between uncertainties of the same and different experiments, when estimating covariances for experimental data employed in their evaluations. These templates also provide realistic estimates of standard deviations and correlations for a particular uncertainty source and measurement type that can be used by evaluators in situations where they are not supplied by the experimenters. This information allows for a more comprehensive uncertainty analysis across all measurements considered in an evaluation and, thus, more realistic evaluated covariances. Here, in this work, we extend a template that is applicable to uncertainties expected in neutron-induced fission, (n,f), cross-section measurements. It is applied to improving covariances of 239 Pu(n,f) cross-section measurements in the database underlying the Neutron Data Standards evaluations. This particular example was chosen since this evaluation is primarily based on experimental information. Also, some uncertainties of individual 239 Pu(n,f) cross-section experiments in this database were suspected to be underestimated. The evaluated uncertainties obtained after updating the covariances in the database by means of the template indeed do increase compared to their original values. Even more importantly, the evaluated mean values change noticeably. These modified cross sections impact application calculations significantly, as is demonstrated by employing them in simulations of the effective neutron multiplication factor for a few selected critical assemblies. However, this updated evaluated 239 Pu(n,f) cross section should not be interpreted as the final one that should replace values of the current Neutron Data Standards project. Evaluations for the Neutron Data Standards of the 239 Pu(n,f) cross section must be linked to many other observables included in the associated database, most notably to cross sections for 235 U(n,f), but also to those for 10 B(n, α ), 6 Li(n,t), 238 U(n,f), and 238 U(n, γ ), because of included measurements of the 239 Pu(n,f) cross section that appear as ratios to these reactions. Some of these other reactions are correlated to further observables in the database. Hence, updating uncertainties of data sets of any of these observables can potentially impact the 239 Pu(n,f) cross section. Uncertainties for all measurements of these linked physical observables have to be updated before a comprehensive evaluation of the 239 Pu(n,f) cross section and its corresponding uncertainties can be provided.

239Pu Neutron-induced fission cross-section↗
DOE OSTI2018

Validation of MCNPX-PoliMi code for simulations of radioxenon beta-gamma coincidence detection

Radioxenon detection is an important component of the verification regime for the Comprehensive Nuclear-Test-Ban Treaty. We developed and validated a new model in MCNPX-PoliMi to simulate the decay of various radioxenon isotopes and the detector response of a variety of detector types. The model was validated using calibration data from a plastic and NaI(Tl) beta-gamma coincidence detector and the results are presented. The results of this validation show that this model can also be used as a tool to produce training spectra and as a method to calibrate radioxenon detection systems.

Radioxenon analysis, MCNP, beta-gamma coincidence↗
DOE OSTI2022

AI-assisted optimization of the ECCE tracking system at the Electron Ion Collider

The Electron-Ion Collider (EIC) is a cutting-edge accelerator facility that will study the nature of the “glue” that binds the building blocks of the visible matter in the universe. The proposed experiment will be realized at Brookhaven National Laboratory in approximately 10 years from now, with detector design and R&D currently ongoing. Notably, EIC is one of the first large-scale facilities to leverage Artificial Intelligence (AI) already starting from the design and R&D phases. The EIC Comprehensive Chromodynamics Experiment (ECCE) is a consortium that proposed a detector design based on a 1.5 T solenoid. The EIC detector proposal review concluded that the ECCE design will serve as the reference design for an EIC detector. Herein we describe a comprehensive optimization of the ECCE tracker using AI. The work required a complex parametrization of the simulated detector system. Herein our approach dealt with an optimization problem in a multidimensional design space driven by multiple objectives that encode the detector performance, while satisfying several mechanical constraints. We describe our strategy and show results obtained for the ECCE tracking system. The AI-assisted design is agnostic to the simulation framework and can be extended to other sub-detectors or to a system of sub-detectors to further optimize the performance of the EIC detector.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2018

Rate theory scenarios study on fission gas behavior of U 3 Si 2 under LOCA conditions in LWRs

Fission gas behavior of U3Si2 under various loss-of-coolant accident (LOCA) conditions in light water reactors (LWRs) was simulated using rate theory. A rate theory model for U3Si2 that covers both steady-state operation and power transients was developed for the GRASS-SST code based on existing research reactor/ion irradiation experimental data and theoretical predictions of density functional theory (DFT) calculations. The steady-state and LOCA condition parameters were either directly provided or inspired by BISON simulations. Due to the absence of in-pile experiment data for U3Si2's fuel performance under LWR conditions at this stage of accident tolerant fuel (ATF) development, a variety of LOCA scenarios were taken into consideration to comprehensively and conservatively evaluate the fission gas behavior of U3Si2 during a LOCA.

Miao, Yinbin (ORCID:0000000231284275)↗