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At least 289 records · Page 16

Thermal transport at (001) twist grain boundaries in UO{sub 2}

The thermal conductivity of the nuclear fuels critically affects performance and safety of the nuclear reactor and thus continues to attract interest of engineers and researches. In spite of the large volume of experimental data on the thermal transport properties in UO{sub 2}, new discoveries in recent years include anisotropic thermal conductivity, and unexpectedly large contribution of the optical phonons to thermal transport. On the other hand, advances in computer power allow to simulate directly from atomic level the effect of structural defects such as grain boundaries, dislocations and pores on the thermal conductivity in UO{sub 2}. Unfortunately, such simulations do not provide detailed information about phonon scattering processes, which are important for the complete understanding of the thermal transport and generation of the physics-based thermal transport models in nuclear performance codes. In this work, we apply phonons wave-packet (PWD) molecular dynamics simulation technique in order to elucidate the individual phonons contribution to the thermal transport through the grain boundaries (GB) in UO{sub 2}. In this work we elucidated the effect of the grain boundary atomic structure on the details of the thermal conductance through the interface. Namely, we demonstrated that transmission coefficient as a function of the wave vector is a strong function of the disorder at the interface: for ideally structured GBs it has sharp peaks and pronounced valleys. Such structure disappears upon introduction of the disorder near the interface, and as a result transmission coefficients behave very similarly between GBs of different misorientation, but the same degree of disorder. Kapitza conductance through these GBs is also nearly identical. It is unlikely for experimentally observed GBs to be atomically sharp, and thus Kapitza conductance in polycrystalline UO{sub 2} can be considered misorientation independent with good accuracy, and it does not to be accounted for in physics-based thermal transport model for fuel performance codes. (authors)

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

A review on the performance and modelling of proton exchange membrane fuel cells

Proton Exchange Membrane Fuel Cells (PEMFC), are energy efficient and environmentally friendly alternative to conventional energy conversion for various applications in stationary power plants, portable power device and transportation. PEM fuel cells provide low operating temperature and high-energy efficiency with near zero emission. A PEM fuel cell is a multiple distinct parts device and a series of mass, energy, transport through gas channels, electric current transport through membrane electrode assembly and electrochemical reactions at the triple-phase boundaries. These processes play a decisive role in determining the performance of the Fuel cell, so that studies on the phenomena of gas flows and the performance modelling are made deeply. This paper gives a comprehensive overview of the state of the art on the Study of the phenomena of gas flow and performance modelling of PEMFC.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

High spatial resolution temperature profile measurements of solid-oxide fuel cells

Temperature gradients resulting from local electrochemical reactions, current distribution and geometry of gas flow channels in solid oxide fuel cells (SOFCs) create thermal stresses, localized thermophysical property gradients and uneven property evolution, contributing to SOFC degradation. This paper presents a new method to perform temperature measurements (up to 800°C) at high spatial resolutions to monitor the operation of SOFCs. Using femtosecond laser irradiation, distributed fiber sensors were hardened for high temperature environment applications. Distributed fiber sensors were embedded in interconnected plates using an additive manufacturing method to perform temperature measurements with 4-mm spatial resolution during the operation of a planar fuel cell. The measurement revealed the impact of various H 2 fuel concentrations and current loads have on temperature profiles of the SOFC tested. Temperature variation on the anode side was found to be less than 5°C, and 3°C on the cathode side. The measurements were compared to results from a multiphysics fuel cell performance model simulating similar conditions. These simulations predicted similar temperature gradients, indicating the experimental data obtained is reasonable. The model also predicts that the effect of the embedded sensor has on the local temperature will be minimal and that the gradient of temperature in the gas channels will be captured despite the separation between the sensor and the gas flow. Finally, the high spatial resolution data harnessed by these distributed fiber sensors provides experimental support for model-based design and optimization to improve the operational efficiency and longevity of solid oxide fuel cells and fuel cell assemblies.

25 ENERGY STORAGE↗

Implement and Test 3D Mortar Contact in BISON

We leverage the extension of the generation of mortar segment meshes to three dimensions in MOOSE’s framework to extend thermomechanical modeling capabilities to problems with three dimensions. A modular approach to gap heat transfer physics using the mortar finite element method was created and documented, mechanical contact was extended to three dimensions—including frictional behavior, performance and ease of use were improved, and steps towards scalability of solid mechanics problems involving contact were taken. Many of these new developments are demonstrated in the simulation of 3D light-water reactor (LWR) problems, where the thermomechanical interface problem is solved using the mortar finite element method. Usage of the mortar framework has improved convergence in 2D problems and has enabled employing friction in 3D problems, of which we show results of a short, local stack of 3D pellets. Consequently, the benefits of mortar in terms of solution convergence and quality are extended to three dimensions. Section 2 discusses fundamental developments that enabled the simulation of practical mortar problems in three dimensions and other general improvements, including the reduction of the derivative container size, the modification of dual basis computations when edge dropping (lack of secondary element projection) takes place, the improvement of conditioning when employing the VCP in-edge dropping conditions, and code usability and quality improvements. These latter code enhancements include the migration of tests using “old” mortar contact constraints to using dual mortar with a semi-smooth Newton solution strategy and the reuse of lower dimensional domains for straightforwardly setting up a mortar thermomechanical LWR problem, i.e. the MOOSE action is employed for mechanical contact and the thermal LWR action is employed to capture the gas conductance, contact, and radiation components of gap heat transfer physics. Independently of the mortar LWR thermal action, we developed a modular approach to gap heat transfer that resides in MOOSE and can be leveraged, e.g., in metallic fuel problems. This approach, whose code design based on MOOSE’s user objects to model specific physics was proposed by the maintenance activity, is detailed in Section 3. Based on the dual mortar finite element method, the frictional contact constraints were extended to three dimensions. A block sheared in two directions in and out of contact with a rigid plane is employed in Section 4 to show the way the approach handles changes in frictional states (e.g. stick to slip) within a competitive number of Newton iterations. Equations and numerical results on the use of the VCP with Cartesian Lagrange multipliers, whose combination enables their direct condensation, are described in Section 5.3. Two-dimensional and three-dimensional BISON LWR simulations are discussed in Section 6. Particularly, a stack of five eccentric pellets with a surface defect is simulated and the effect of pellet-cladding friction is assessed. Finally, conclusions are outlined in Section 7.

42 ENGINEERING↗

Evaluation of the Effect of Burnup Acceleration on UO 2 Microstructure Evolution

Accelerated fuel qualification (AFQ) is a methodology by which new nuclear fuels are developed in an accelerated time frame compared with historical fuel qualification approaches. AFQ generally relies on high-fidelity physics-based modeling and simulation tools to adequately describe fuel performance as well as on revolutionary methods to accelerate burnup accumulation and collect relevant data more quickly. This report summarizes the use of advanced fuel modeling and simulation tools to evaluate microstructures from commercially irradiated fuel and microstructures from proposed MiniFuel irradiations, in which burnup accumulation is accelerated while prototypic temperature conditions are maintained. In this milestone, we used the mesoscale fuel performance code MARMOT to model the evolution of irradiated UO 2 microstructures and their potential restructuring at high burnup. The simulation conditions were informed by BISON models of both commercially irradiated fuel and MiniFuel. A first set of simulations investigated the recrystallization behavior of fully dense microstructures and showed full recrystallization at burnups as low as 52 MWd/kgU at 950°C. However, these simulations did not account for the presence of fission gas bubbles (predicted by BISON). Therefore, a second set of simulations including fission gas bubbles was performed and indicated that at the lowest temperature considered (650°C), the porous UO 2 microstructures have the highest total Gibbs free energies and are likely to recrystallize earlier than higher temperature cases (800 and 950°C), which agrees with high-burnup fuel characterization data. The results also showed that at lower temperature (650°C), the total free energies of the PWR fuel and MiniFuel microstructures are not significantly different. However, at the highest temperature (950°C), MiniFuel microstructures have a lower free energy than that of the PWR fuel microstructure. The competing effects between the temperature-dependent grain nucleation rate and the reduction of the free energy of the microstructure at higher temperature as a result of diffusion indicated that restructuring may occur at even higher temperatures than those considered in this study. In addition to the microstructure evolution modeling efforts, the burnup gradient across a single fuel specimen was also considered. This evaluation was for the VXF-15 position of the High Flux Isotope Reactor (HFIR) using the code suite HFIRCON, which was developed to automate the workflow for evaluating targets and fuel as they are irradiated in HFIR. The burnup gradient evaluation showed a dependence on both the axial and radial locations within the specimen, with a maximum difference of 1.7 between the inner and outermost radial layers. This relationship was further supported by considering the fission product speciation with respect to location within the specimen, which showed a higher concentration of 239 Pu, 240 Pu, and 241 Pu on the outer radial locations of the specimen than the center. The findings of the burnup and speciation evaluation show that some amount of self-shielding is occurring in the specimen when irradiated in the high-flux environment of HFIR; however, this impact is more pronounced for natural uranium when compared to 6% enrichment due to the higher ratio of 238 U in the specimen. Further analyses are required to understand the sensitivity of this gradient to spatial mesh and enrichment of the specimen.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Evaluation of CASL boiling model for DNB performance in full scale 5x5 fuel bundle with spacer grids

As one of main tasks for FY17 CASL-THM activity, Evaluation study on applicability of the CASL baseline boiling model for 5x5 DNB application is conducted and the predictive capability of the DNB analysis is reported here. While the baseline CASL-boiling model (GEN- 1A) approach has been successfully implemented and validated with a single pipe application in the previous year’s task, the extended DNB validation for realistic sub-channels with detailed spacer grid configurations are tasked in FY17. The focus area of the current study is to demonstrate the robustness and feasibility of the CASL baseline boiling model for DNB performance in a full 5x5 fuel bundle application. A quantitative evaluation of the DNB predictive capability is performed by comparing with corresponding experimental measurements (i.e. reference for the model validation). The reference data are provided from the Westinghouse Electricity Company (WEC). Two different grid configurations tested here include Non-Mixing Vane Grid (NMVG), and Mixing Vane Grid (MVG). Thorough validation studies with two sub-channel configurations are performed at a wide range of realistic PWR operational conditions.

42 ENGINEERING↗

BISON validation of FeCrAl cladding mechanical failure during simulated reactivity-initiated accident conditions*

Here, a reactivity-initiated accident (RIA) is a postulated design basis accident in light water reactors (LWRs) in which a rapid reactivity insertion induces a fission rate increase and a fuel pellet temperature rise. During RIA, the fuel pellet thermally expands and may cause pellet-cladding mechanical interaction (PCMI). Separate effects PCMI tests were performed on C26M FeCrAl cladding tube samples, introducing biaxial stress via a well understood modified burst test (MBT) system. A high-speed camera in the MBT system captured the projections, covering a 360° view of the cladding deformation and enabling a digital image correlation (DIC) method to quantify the surface strains with high fidelity. Representative hot zero-power RIA mechanical loading conditions were applied to the sample, and the test duration ranged from 20 to 500 ms at an average temperature of 573 K. BISON finite element–based fuel performance code modeling was performed against the high-fidelity DIC data produced from the MBTs. Validation calculations were conducted with 2D models and systematically compared with test data of the burst time, burst pressure, burst hoop strains, and hoop strain rates. Based on the behaviors from the separate effects test, BISON calculations satisfactorily predicted the cladding deformation behaviors. Sensitivity analysis was conducted to identify highly influential mechanical properties responsible for the cladding failure behavior during the MBT experiments. The results highlight the significance of the cladding's mechanical strength in governing cladding strain, followed by the significance of the mechanical interactions between the pellet and the cladding.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Density functional theory calculations of self- and Xe diffusion in U 3 Si 2

Uranium silicide, U 3 Si 2 , has been proposed as an advanced nuclear fuel to be used in light water reactors (LWRs). Development of this alternative to the predominant current fuel, UO 2 , is motivated by enhanced accident tolerance as a result of higher thermal conductivity as well as improved fuel cycle economics through increased uranium density. In order to accurately model the fuel performance of U 3 Si 2 , the diffusion rate of point defects, which is related to self-diffusion, and of fission gas atoms must be determined. DFT calculations are used to predict the U and Si point defect concentrations, the corresponding self-diffusivities, the preferred Xe trap site and the Xe diffusivity. Effects of irradiation are not considered. A low defect formation energy and a high entropy for Si interstitials give rise to Si-rich non-stoichiometry at elevated temperatures. Both U and Si self-diffusion and Xe diffusion are anisotropic as a consequence of the tetragonal crystal structure of U 3 Si 2 . Si diffusion occurs by interstitial mechanisms in both the a-b plane and along the c axis, while the U c axis diffusion rate is controlled by a vacancy mechanism. Interstitial diffusion of U is very fast in the a-b plane of the U 3 Si 2 crystal structure. Xe atoms prefer to occupy U vacancy trap sites. The highest Xe diffusion rate occurs by a vacancy mechanism in both the a-b plane and along the c axis. The diffusion rate is similar in the a-b plane and along the c axis. U and Si self-diffusion and Xe diffusion are all faster in U3Si2 than intrinsic U and Xe diffusion in conventional UO 2 nuclear fuel.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Fission gas diffusion and release for Cr 2 O 3 -doped UO 2 : From the atomic to the engineering scale

Here, the anticipated benefits of large grains in Cr 2 O 3 -doped UO 2 pellets include improved mechanical and fission gas retention properties. To support the assessment of fission gas release (FGR) from doped pellets, the impact of doping on fission gas diffusivity for in-reactor conditions must be understood. In this work, we tackle this issue by informing the fission gas model within the BISON fuel performance code using material models developed at the atomic scale. The investigation of intra-granular fission gas diffusivity in Cr 2 O 3 -doped UO 2 is carried out by adapting a cluster dynamics model that, accounting for UO 2 thermochemistry, is capable of describing Xe diffusion under irradiation in undoped UO 2 as the starting point. Using a thermodynamic analysis, it is shown that in stoichiometric UO 2 with additions of Cr 2 O 3 the oxygen potential is defined by the Cr-Cr 2 O 3 two-phase equilibrium. Using the cluster dynamics model, the predicted Xe diffusivity in doped UO 2 was significantly increased in both the intrinsic and irradiation-enhanced regimes compared to undoped UO 2 as a result of higher concentrations of uranium and oxygen vacancies, respectively. This is a consequence of the more oxidizing conditions at high temperature, and more reducing conditions at low temperature, as a result of doping. Arrhenius functions have been fitted to the cluster dynamics results to enable implementation of the new diffusivities in the BISON fission gas behavior model. BISON simulations were carried out, showing the competing effects of the enlarged grains and the new fission gas diffusivity model, which act to suppress and enhance fission gas release, respectively. The new physics-informed model was validated against in-reactor experimental measurements under normal operation. Additionally, benchmarking was carried out for power ramp conditions. The predicted fission gas release agreed well with the experimental data, showing noticeable improvements over the standard UO 2 model.

36 MATERIALS SCIENCE↗

Temperature Effects on Interdiffusion of Al and U-Mo under Irradiation

A high-energy Xe ion irradiation experiment was conducted to investigate the temperature dependence of interdiffusion in bilayer Al-UMo samples under irradiation. The amount of interdiffusion achieved at a fixed dose with the increase of temperature showed a clear transition at 175 degrees C (with an estimated error in the range of ± 10 degrees C) from temperature-independent to temperature-dependent behavior. The activation energy derived from the curve of interdiffusion quantity vs. irradiation temperature is 0.77 ± 0.16 eV. This information has been utilized to understand the temperature effect on the interdiffusion process that occurred at the interfaces of U-Mo particles and the Al matrix in U-Mo/Al dispersion fuels, whose magnitude significantly impacts the fuel's performance. Although this temperature effect was deemed important, it cannot be examined directly using in-pile irradiation data, as fuel temperatures cannot be measured in reactor irradiation and are highly correlated with fission rate and thermal conductivity evolution. To connect the knowledge accumulated from ion irradiation with in-pile irradiation data, simulation of a full-sized U-Mo/Al dispersion fuel plate irradiated in the FUTURE test in the BR2 reactor was performed with the Dispersion Analysis Research Tool (DART), a dispersion fuel performance code. DART is equipped with an interaction or interdiffusion layer (IL) growth correlation formulated to describe the temperature dependence of ion mixing results. The agreement between calculated and measured fuel meat constituent volume fractions and swelling data demonstrated that the temperature effect on in-pile Al-UMo interdiffusion is well captured with the correlation. In this case, the fitted activation energy is 0.70 eV. Considering the uncertainties associated with the ion irradiation data, the activation energy obtained from in-pile data fitting is in accord with that from ion irradiation results.

36 MATERIALS SCIENCE↗

Sensitivity analysis for characterizing the impact of HNGD model on the prediction of hydrogen redistribution in Zircaloy cladding using BISON code

Hydrogen in zirconium cladding is able to precipitate into zirconium hydrides which impacts cladding integrity. The Hydride Nucleation-Growth-Dissolution (HNGD) model in the BISON code accounts for the precipitation and dissolution kinetics of hydride in Zircaloy material. This paper presents global sensitivity analyses of the HNGD model aiming to enhance our understanding of the hydride precipitation phenomena by quantifying the variance that key parameters have on the prediction of hydrogen behavior under various environmental conditions. Here, model predictions are compared to experimental data obtained under two different conditions: 1) with uniformly precharged specimens subjected to a linear thermal gradient, and 2) specimens precharged with a cathodically applied hydride rim at one end of the sample and subjected to an asymmetric thermal gradient. The Sobol sensitivity analysis identifies the key parameters in the HNGD model for both types of specimens. For linear temperature cases, the heat of transport dominates the accuracy of predictions when no precipitation occurs at the cold end, while Terminal Solid Solubility for Dissolution (TSSD) is the most important parameter when precipitation occurs. A large variation in the predicted hydrogen concentration profiles is found in the range of high TSSD due to the occurrence of precipitation. For asymmetric temperature cases, the solubility coefficient gives the largest impact on the predicted hydrogen distribution, as it determines the amount of solute hydrogen dissolved from the initially applied hydride rim. A large discrepancy in hydrogen distribution between simulations and experiments exists with the asymmetric specimens because BISON simulations fail to predict the precipitation of hydride at the cooler end. Comparative studies using former and updated models verifies the significant impact of the hydride growth mechanism on predicted hydrogen concentration profiles. In particular, when hydride initially exists, changes in TSSD generate a large variation in the predicted amount of precipitation by hydride growth, giving large uncertainty in predicting the hydrogen distribution over the sample length. The outputs characterize the significant impact of the hydride growth mechanism in the HNGD model on predicting hydrogen behavior, and improve the understanding of the precipitation of hydride in Zircaloy cladding within a range of expected environmental conditions. The analyses indicate work is still needed to improve the hydride solvus models in the BISON code to accurately predict experimentally observed hydride concentrations and distributions.

36 MATERIALS SCIENCE↗

Non-Destructive Characterization of UO2+x Nuclear Fuels

This article describes the effect of fabrication conditions on as-sintered microstructures of various stoichiometric ratios of uranium dioxide, UO 2+x , with the aim of enhancing the understanding of fabrication process and developing and validating a predictive microstructurebased model for fuel performance. We demonstrate the ability of novel, non-destructive methods such as near-field high-energy X-ray diffraction microscopy (nf-HEDM) and micro-computed tomography (μ-CT) to probe bulk samples of high-Z materials by non-destructively characterizing three samples: UO 2.00 , UO 2.11 , and UO 2.16 , which were sintered at 1450°C for 4 hours. The measured 3D microstructures revealed that grain size and porosity were influenced by deviation from stoichiometry.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

SCANAIR-BISON BENCHMARK ON CIP0-1 RIA TEST

In the frame of their research programs on fuel safety, the French “Institut de Radioprotection et de Sûreté Nucléaire” (IRSN) and the Idaho National Laboratory (INL) have developed respectively SCANAIR and BISON codes to describe the thermo-mechanical behavior of irradiated fuel rods during Reactivity Initiated Accidents (RIA) in LWR. A RIA, characterized by a very rapid increase of reactivity and power in some rods of the reactor, can be schematically represented in two main phases. First, the energy deposition leads to a rapid rise of the fuel temperature which induces thermal swelling of the fuel pellets. During this phase, the Pellet Clad Mechanical Interaction (PCMI) leads to clad deformation and potentially to failure depending on fuel enthalpy increase and on the level of clad embrittlement. After the PCMI phase, the increase of clad temperature can lead to the boiling crisis of the water surrounding the rod. During the film boiling phase, the clad to coolant heat transfer becomes very low and the clad can reach high temperature (>700°C). Depending on the internal gas pressure, the ductile clad can undergo large deformation and possible failure. The RIA codes have to predict properly these two phases of the transient in order to be used, in particular, to assess current fuel safety criteria but also to be able to predict the behavior of upcoming fuel (such as accident tolerant fuel). In this paper, codes computation comparison against experimental data obtained on CIP0-1 test is done for the first phase of the transient, the PCMI phase, in order to point out the strengths and weaknesses of the codes. The CIP0-1 experiment was performed with UO2 high burnup fuel in the CABRI sodium loop facility, at 280°C and low pressure (~3 bars) without boiling crisis and no failure of the fuel rod. The initial state of the rod calculated by irradiation codes are compared with measurements before the transient. Then global rod thermal behavior during the CIP0-1 test is assessed with the sodium coolant temperature measurements. The rod mechanical behavior is analyzed with the fuel and clad elongation and the clad residual hoop strain. Finally comparison of the fission gas behavior between codes is performed and compared to the measurements of the fission gas released in the experiment.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Treatment of the uncertainties in fuel rod design analysis

This paper describes the results of the effort performed in order to systematically treat uncertainties in the fuel rod performance analysis with the aim at providing conservative results while also showing the uncertainty of the results (Best Estimate plus Uncertainty). 3 distinct groups of uncertainties affect the prediction of the fuel performance code: -) code models and material properties, -) fuel rod as fabricated parameters, and -) core power and power distribution determination. While the first two groups may be easily covered by statistical analysis, the last group requires good knowledge of the origin of the uncertainties. Especially in tall PWR and VVER-1000 cores where the possibility of fuel assembly bowing affects the inter-assembly gap width generating an uncertainty. In general, this parameter evolves during the residence of the fuel assembly in the core. Several methodological approaches to the core power and power distribution are compared using the TRANSURANUS code. TRANSURANUS is an integral '1.5D' code assuming perfect cylindrical symmetry of the fuel rod and only limited coupling in the axial direction. Core neutron transport, including pin-wise power distributions, are calculated by the nodal code ANDREA. As an example of a practical application, the study of the fuel rod response to the VVER-1000 Condition 2 transient (unintentional dilution of the boric acid in the primary circuit) is shown as well as an example of application of the same statistical approach to the validation of the TRANSURANUS code using the in-pile measurements in the Halden reactor.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Development of an In Situ Fission Gas Release Instrument for Fuel Sample Irradiations in the High Flux Isotope Reactor

Experimental measurement of gaseous fission product release with respect to temperature and burnup is a critical aspect of understanding nuclear fuel performance, validating predictive models, and qualifying new fuels. To measure this phenomenon in real-time, Oak Ridge National Laboratory has developed an instrument for measuring in situ fission gas release from small-scale fuel samples irradiated in the High Flux Isotope Reactor (HFIR). The instrument uses a continuous flow of Heover the fuel samples to sweep gaseous fission products from a sealed capsule in the HFIR Be reflector to an instrument station adjacent to the reactor. The instrument station houses two high-purity germanium (HPGe) detectors that measure decay gamma rays from fission products passing through a room temperature dwell chamber placed over the detector crystal. The sealed capsules in the reactor are designed to modulate fuel sample temperatures between 700 and 1,100°C by changing the Ar/He gas mixture surrounding the capsules during irradiation. N-type thermocouples are incorporated into the capsule housing to record real-time fuel temperatures. The capsules are heated primarily by prompt gamma rays emitted from the HFIR core with minimal heat contributions from fission in the fuel samples to minimize temperature gradients in the specimens for separate-effects characterization of the material. This paper describes modeling of time-dependent nuclear heating and fission product formation in fuel samples, thermal characteristics of the in-core capsules, and expected gaseous fission product gamma spectra at the HPGe instrument station.

Mulligan, Padhraic L [ORNL] (ORCID:000000025826540↗