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At least 397 records · Page 22

RouteE: A Vehicle Energy Consumption Prediction Engine

The emergence of connected and automated vehicles and smart cities technologies create the opportunity for new mobility modes and routing decision tools, among many others. To achieve maximum mobility and minimum energy consumption, it is critical to understand the energy cost of decisions and optimize accordingly. The Route Energy prediction model (RouteE) enables accurate estimation of energy consumption for a variety of vehicle types over trips or sub-trips where detailed drive cycle data are unavailable. Applications include vehicle route selection, energy accounting and optimization in transportation simulation, and corridor energy analyses, among others. The software is a Python package that includes a variety of pre-trained models from the National Renewable Energy Laboratory (NREL). However, RouteE also enables users to train custom models using their own data sets, making it a robust and valuable tool for both fast calculations and rigorous, data-rich research efforts. The pre-trained RouteE models are established using NREL’s Future Automotive Systems Technology Simulator paired with approximately 1 million miles of drive cycle data from the Transportation Secure Data Center, resulting in energy consumption behavior estimates over a representative sample of driving conditions for the United States. Validations have been performed using on-road fuel consumption data for conventional and electrified vehicle powertrains. Transferring the results of the on-road validation to a larger set of real-world origin-destination pairs, it is estimated that implementing the present methodology in a green-routing application would accurately select the route that consumes the least fuel 90% of the time. The novel machine learning techniques used in RouteE make it a flexible and robust tool for a variety of transportation applications.

33 ADVANCED PROPULSION SYSTEMS↗

Proof-of-concept of a neutron time-of-flight ellipsoidal detector

The time-resolved measurement of neutrons emitted from nuclear implosions at inertial confinement fusion facilities is used to characterize the fusing plasma. Several significant quantities are routinely measured by neutron time-of-flight (nToF) detectors in these experiments. Current nToF detectors use scintillators as well as solid-state Cherenkov radiators. The latter has an inherently faster time response and can provide a co-registered γ-ray measurement as well as improved precision in the bulk hot-spot velocity. This work discusses a nToF ellipsoidal detector that also utilizes a solid-state Cherenkov radiator. The detector has the potential to achieve a fast instrument response function allowing for characterization of the γ-ray burn history as well as the ability to field the detector closer to the fusion source. Proof-of-concept testing of the nToF ellipsoidal detector has been conducted at the National Ignition Facility using commercial optics. A time-resolved neutron signal has been measured from the diagnostic. Preliminary simulations corroborate the results.

Jeet, J. (ORCID:0000000291091563)↗

Core-edge integrated predictive studies of ST40 and NSTX plasmas with the scrape-off layer box model

The ability to model the interplay between the core and edge of tokamak plasmas is crucial to designing both the plasma operating scenario of a fusion pilot plant and the design of the tokamak itself. Scrape-off-layer (SOL) models that are tailored to integrated scenario modeling need to have fast turn-around time and minimal computational burden to enable wide parameter-space coverage for design scoping. The SOL 0-D Box model is a reduced SOL model based on global power and particle balance that captures the essential physics of SOL transport with little computational cost. The usage of the 0-D Box model in core-edge coupled simulations has been demonstrated in both interpretive and predictive modes on a variety of devices. This paper presents a sensitivity study of the 0-D Box model to the input SOL heat-flux width for an ST40 plasma. This study demonstrates that accurate prediction of this width is crucial to predicting global performance parameters of a plasma scenario, such as energy confinement time and flux consumption. We also present an extension of the Box model to 1-D to allow for parallel variation of plasma parameters along the magnetic field lines. The 1-D Box model is then compared with SOLPS-ITER simulations of an NSTX plasma. Advantages and limitations of the Box model are discussed, and future directions are outlined.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Assessment and Performance of Flexible Quench Antenna Array Diagnostics for Superconducting Magnets

FNAL has been developing multiple versions of flexible quench antennas (flex-QA), including some specially optimized for high sensitivity and/or high resolution, to characterize quench events and transients during current ramping in superconducting magnets. A fundamental feature in our use of these is the creation of grid-like structures of sensitive elements to cover coil surfaces, with the aim of getting precise localization of magnetic flux-change events. The flex-QA are coupled with fast data-acquisition, allowing comprehensive analysis of signals at the relevant fine time scales. In addition to arrays of various flex-QA types being used during cryogenic testing of superconducting magnets, we also are utilizing a newly developed room temperature test stand to better understand QA response characteristics. The data from actual superconducting magnet tests, warm test stand measurements, and simulation data on the same QA designs allows us to draw conclusions on operational feasibility and plan better for improvements of our sensors. In this paper we present data from the multiple tests performed and analysis results. Flex-QA designs are compared, and their features, options, and optimization discussed.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Simulation of Continental Shallow Cumulus Populations Using an Observation-Constrained Cloud-System Resolving Model

Continental shallow cumulus (ShCu) clouds observed on 30 August 2016 during the Holistic Interactions of Shallow Clouds, Aerosols, and Land-Ecosystems (HI-SCALE) field campaign are simulated by using an observation-constrained cloud-system resolving model. On this day, ShCu forms over Oklahoma and southern Kansas and some of these clouds transition to deeper, precipitating convection during the afternoon. We apply a four-dimensional ensemble-variational (4DEnVar) hybrid technique in the Community Gridpoint Statistical Interpolation (GSI) system to assimilate operational data sets and unique boundary layer measurements including a Raman lidar, radar wind profilers, radiosondes, and surface stations collected by the U.S. Department of Energy's (DOE) Atmospheric Radiation Measurement (ARM) Southern Great Plains (SGP) atmospheric observatory into the Weather Research and Forecasting (WRF) model to ascertain how improved environmental conditions can influence forecasts of ShCu populations and the transition to deeper convection. Independent observations from aircraft, satellite, as well as ARM's remote sensors are used to evaluate model performance in different aspects. Several model experiments are conducted to identify the impact of data assimilation (DA) on the prediction of clouds evolution. The analyses indicate that ShCu populations are more accurately reproduced after DA in terms of cloud initiation time and cloud base height, which can be attributed to an improved representation of the ambient meteorological conditions and the convective boundary layer. Extending the assimilation to 18 UTC (local noon) also improved the simulation of shallow-to-deep transitions of convective clouds.

54 ENVIRONMENTAL SCIENCES↗

Characterization of sub-picosecond laser-produced fast electrons by modeling angularly resolved bremsstrahlung measurements with 3D hybrid particle-in-cell code

Hard x-rays produced by intense laser-produced fast electrons interacting with solids are a vital source for producing radiographs of high-density objects and implosion cores for inertial confinement fusion. Accurate calculation of hard x-ray sources requires a three-dimensional (3D) simulation geometry that fully models the electron transport dynamics, including electron recirculation and the generation of absolute photon yields. To date, 3D simulations of laser-produced bremsstrahlung photons over tens of picoseconds and code benchmarking have not been performed definitively. In this study, we characterize sub-picosecond laser-produced fast electrons by modeling angularly resolved bremsstrahlung measurements for refluxing and non-refluxing targets using the 3D hybrid particle-in-cell (PIC), Large Scale Plasma code. Bremsstrahlung radiation and escaped electron data were obtained by focusing a 50-TW Leopard laser (15 J, 0.35 ps, 2 × 10 19 W/cm 2 ) on a 100-μm-thick Cu foil and a Cu with a large plastic backing (Cu–CH target). Data for both the Cu and Cu–CH targets were reproduced for simulations with a given set of electron parameters. Comparison of the simulations revealed that the hard x-ray emission from the Cu target was significantly longer in duration than that from the Cu–CH target. Here, the benchmarked hybrid PIC code could prove to be a powerful tool in the design and optimization of time- and angular-dependent bremsstrahlung sources for flash x-ray and gamma-ray radiography.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Mechanistic Modeling of Creep and Aging for Time Extrapolation in LPBF 316 SS - LANL

A polycrystal constitutive model was extended to quantify the effects heterogeneity in the microstructure, porosity, and internal stresses on the mechanical response (creep, tensile) of 316H steel processed by additive manufacturing. The starting point is a recently developed and fully calibrated advanced microstructuresensitive mechanistic constitutive model fit to literature data pertaining to conventionally processed steels. The model is embedded within the full field fast Fourier transform framework (LApx) and several hundred simulations were performed. Synthetic microstructures with different grain aspect ratios were generated using the Neper package to study the role of grain morphology on the mechanical responses. The effect of initial cell interior dislocation density, cell-wall density, precipitate content, porosity, and internal stresses on creep rates are quantified for different polycrystalline microstructures. The study allowed to prospectively quantify the role of distinct features of the microstructure on the mechanical response under tension and creep loading scenarios. Critically it is found that minor anisotropies in the tensile response of samples, emanating from the aspect ratio of grains correlated into significant differences in creep rate as a function of loading directions. The study also allows to identify initial microstructure porosities below which the materials response only moderately degraded by the initial microstructure.

36 MATERIALS SCIENCE↗

Region and cloud regime dependence of parametric sensitivity in E3SM atmosphere model

Abstract The Department of Energy (DOE)’s Energy Exascale Earth System Model (E3SM), including its atmosphere model (EAM), has many relatively new features. In a previous study we conducted a systematic parametric sensitivity analysis for EAM based on short, perturbed parameter ensemble (PPE) simulations, mainly focusing on global mean climate features and metrics. While parameter values in global climate models are generally invariant in space and time, model response to parameters perturbation may vary by regions and climate regimes, which motivates the need to better understand the EAM model behaviors and physics at regional scale and process level. In this study, using the same set of PPE simulations and a similar sensitivity analysis framework, we identify parameters that cause largest sensitivities over different regions and compare model responses in fast atmospheric processes to the parameters across different cloud regimes for several important cloud-related fidelity metrics. We find that cloud forcing has opposite response to some parameters over mid-latitude vs. tropical land. We also analyze how the parametric sensitivity varies as stratocumulus transitions to shallow convection and to deep convection over ocean. Low cloud forcing and shortwave cloud forcing in the subtropical eastern Pacific are most sensitive to the parameters controlling the width of the probability density function (PDF) of the subgrid vertical velocity ( w’ ) ( gamma ) and the damping of the w’ skewness ( c8 ) near the coast but become more sensitive to the parameter affecting the damping of the w’ variance ( c1 ) further offshore. Detailed interpretation of the spatial dependence of parametric sensitivity is provided. We also investigate how the parametric sensitivity evolves with prediction duration. This study improves our process-level understanding of cloud physics and parameterization and provides insights for developing more advanced regime-aware parameterization schemes in global climate model.

54 ENVIRONMENTAL SCIENCES↗

Modeling the aqueous interface of amorphous TiO 2 using deep potential molecular dynamics

Amorphous titanium dioxide (a-TiO 2 ) is widely used as a coating material in applications such as electrochemistry and self-cleaning surfaces where its interface with water has a central role. However, little is known about the structures of the a-TiO 2 surface and aqueous interface, particularly at the microscopic level. In this work, we construct a model of the a-TiO 2 surface via a cut-melt-and-quench procedure based on molecular dynamics simulations with deep neural network potentials (DPs) trained on density functional theory data. After interfacing the a-TiO 2 surface with water, we investigate the structure and dynamics of the resulting system using a combination of DP-based molecular dynamics (DPMD) and ab initio molecular dynamics (AIMD) simulations. Both AIMD and DPMD simulations reveal that the distribution of water on the a-TiO 2 surface lacks distinct layers normally found at the aqueous interface of crystalline TiO 2 , leading to an ~10 times faster diffusion of water at the interface. Bridging hydroxyls (Ti 2 –O b H) resulting from water dissociation decay several times more slowly than terminal hydroxyls (Ti–O w H) due to fast Ti–O w H 2 → Ti–O w H proton exchange events. These results provide a basis for a detailed understanding of the properties of a-TiO 2 in electrochemical environments. Moreover, the procedure of generating the a-TiO 2 -interface employed here is generally applicable to studying the aqueous interfaces of amorphous metal oxides.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Simplified Transactive Distribution Grids for Bulk Power System Mechanism Development

As distributed energy resources and smart devices become omnipresent in the electrical power grid, transactive energy control mechanisms are evolving. From real-time to day-ahead markets, these transactive energy algorithms involve more and more agents, whose behavior is going to affect the transmission and generation network. In order to study the interaction between the wholesale and retail energy markets, extensive co-simulations are performed. To be able to redesign, evaluate, and verify new control algorithms, the simulations need to provide results in a fast and reliable manner. This work has built and tested a transactive distribution grid model, the DSO-Stub, meant to offer a configurable distribution retail market while ensuring the computational burden is not significantly increased.

Transactive Energy, , Distribution System Operator↗

Development of lean, efficient, and fast physics-framed deep-learning-based proxy models for subsurface carbon storage

In this work, we present deep-learning-based surrogate models for CCUS developed with four different algorithms and a physics-framed two-phase flow problem involving displacement of water by CO 2 . The deep-learning models were trained using 3D datasets describing the pressure plume, CO 2 saturation plume, and water extraction rate generated by numerical simulation. The hyperparameters defining the architecture of the neural networks were optimized to determine the slimmest network size and training parameters that give the most efficient performance at the least training cost. To develop a robust model that closely mimics the governing physical laws, the discretized form of the two-phase fluid transport equation was used to formulate the supervised deep-learning task. The algorithms investigated in this study predicted the data to above 95% accuracy, with the multi-layer perceptron model demonstrating the best performance by balancing training speed, prediction time, and prediction accuracy with lean network capacity. Furthermore, the surrogate models simultaneously predict reservoir pressure and CO 2 saturation in every grid block, including the surface well extraction rate and bottomhole pressure, at all simulation times for a given static model realization in just a few seconds on a standard desktop computer. A key outcome of this study is that limits can be placed on network design parameters to avoid over designing neural networks, with associated efficiencies in training and prediction times. This is very useful because large volumes of data may be generated in CCUS projects and over-design of neural network architectures imposes penalties that are antithetical to the goal of near-real time forecasting.

58 GEOSCIENCES↗

The impact of mineral reactive surface area variation on simulated mineral reactions and reaction rates

Reactive transport modeling is an essential tool to simulate complex geochemical reactions in porous media that can impact formation properties including porosity and permeability. However, simulating these reactions is challenging due to uncertainties in model parameters, particularly mineral surface areas. Imaging has emerged as a powerful means of estimating model parameters including porosity and mineral abundance, accessibility and accessible surface area. However, these parameters, particularly mineral accessible surface area, vary with image resolution. This work aims to enhance understanding of the impact of image resolution and other means of estimating mineral reactive surface area on simulated mineral reactions and reaction rates. Mineral surface areas calculated from images with resolutions of 0.34 μm and 5.71 μm were used to simulate mineral reactions in the context of geologic CO 2 sequestration in the Paluxy formation at the continuum scale. Additional simulations were carried out using BET surface areas collected from the literature and geometric surface areas. Simulations were run for 7300 days and mineral volume fractions and effluent ion concentrations tracked and compared. Variations in mineral surface areas measured from images are within 1 order of magnitude and yield similar simulation results, indicating the impact of image resolution on simulated reactions and reaction rates is minimum for the resolutions and sample considered. In comparison, surface areas obtained from BET and geometric approaches are 1–4 orders of magnitude higher than image-obtained surface areas and result in greater simulated reaction rates and extents. Minerals with high reaction rates (calcite and siderite) are most impacted by surface area values at short times where simulated mineral volume fractions at longer times agree relatively well, even for simulations with several orders of magnitude variation in surface area. Phases with lower reaction rates, such as K-feldspar and muscovite, are predominantly impacted over longer times where variations in surface areas impact reaction extents and porosity evolution. Overall, variations in surface areas due to image resolution are small and result in little variation in simulated reactions and reaction rates while there are significant variations in simulation results when other surface area estimates are used. These variations, however, depend on the reactivity of the mineral phase where surface areas of fast-reacting phases largely impact simulations at short (hours to days) timescales and surface areas of slower-reactive phases impact longer term simulations (years).

58 GEOSCIENCES↗

Identifying geologic characteristics and operational decisions to meet global carbon sequestration goals

Geologic carbon sequestration is the process of injecting and storing CO 2 in subsurface reservoirs and is an essential technology for global environmental security (e.g., climate change mitigation) and economic security (e.g., CO 2 tax credits). To meet energy, economic, and environmental goals, society will have to identify vast volumes of high-capacity, low-cost, and viable storage reservoirs for sequestering CO 2 . In turn, this requires understanding how major geologic characteristics (such as reservoir depth, thickness, permeability, porosity, and temperature) and design and operational decisions (such as injection well spacing) impact CO 2 injection rates, storage capacity, and economics. Although many numerical simulation tools exist, they cannot repeat the required thousands or millions of simulations to identify ideal reservoir properties and the sensitivity and interaction between geologic parameters and operational decisions. Here, we use SCO 2 T—a fast-running, reduced-order modeling framework—to explore the sensitivity of major geologic parameters and operational decisions to engineering (CO 2 injection rates, plume dimensions, and storage capacities and effectiveness) and costs. Our results show, for the first time, benefits and impacts such as allowing CO 2 plumes to overlap, how different well spacing patterns affect CO 2 sequestration, the effects on costs of including brine treatment and disposal, and the effect of restricting injection rates to 1 MtCO 2 per y based on well limitations. We reveal multiple novel and unintuitive findings including: (i) deeper reservoirs have reduced carbon sequestration costs until injection rates reach 1 MtCO 2 per y, at which point deeper reservoirs become more expensive, (ii) thicker formations allow for increased injection rates and storage capacity, but thickness barely impacts plume areas, (iii) higher geothermal gradients result in reduced sequestration costs, unless brine treatment/disposal costs are included, at which point reservoirs having lower geothermal gradients are more economical because they produce less brine for each unit of injected CO 2 , and (iv) allowing plumes to overlap has a significantly positive impact of increasing storage capacities but has only a small influence on reducing sequestration costs. Altogether, our results illustrate new scientific conclusions to help identify suitable sites to inject and store CO 2 , to help understand the complex interaction between geology and resulting costs, and to help support the pursuit of meeting global sequestration targets.

58 GEOSCIENCES↗

Data-Driven Reduced-Order Modeling of Convective Heat Transfer in Porous Media

This work presents a data-driven Reduced-Order Model (ROM) for parametric convective heat transfer problems in porous media. The intrusive Proper Orthogonal Decomposition aided Reduced-Basis (POD-RB) technique is employed to reduce the porous medium formulation of the incompressible Reynolds-Averaged Navier–Stokes (RANS) equations coupled with heat transfer. Instead of resolving the exact flow configuration with high fidelity, the porous medium formulation solves a homogenized flow in which the fluid-structure interactions are captured via volumetric flow resistances with nonlinear, semi-empirical friction correlations. A supremizer approach is implemented for the stabilization of the reduced fluid dynamics equations. The reduced nonlinear flow resistances are treated using the Discrete Empirical Interpolation Method (DEIM), while the turbulent eddy viscosity and diffusivity are approximated by adopting a Radial Basis Function (RBF) interpolation-based approach. The proposed method is tested using a 2D numerical model of the Molten Salt Fast Reactor (MSFR), which involves the simulation of both clean and porous medium regions in the same domain. For the steady-state example, five model parameters are considered to be uncertain: the magnitude of the pumping force, the external coolant temperature, the heat transfer coefficient, the thermal expansion coefficient, and the Prandtl number. For transient scenarios, on the other hand, the coastdown-time of the pump is the only uncertain parameter. The results indicate that the POD-RB-ROMs are suitable for the reduction of similar problems. The relative L2 errors are below 3.34% for every field of interest for all cases analyzed, while the speedup factors vary between 54 (transient) and 40,000 (steady-state).

German, Péter (ORCID:0000000307285283)↗

Report on Field Test at INL Cask Farm of Single Detector Fast Neutron Spent Fuel Cask Verification System

Detecting diversion of spent fuel elements in dry storage casks is challenging due to the thick shielding used in cask construction. Measurements on top of the cask to map the underlying arrangement of the fuel elements and looking for anomalous changes over time has proven difficult to achieve using gamma rays due to the high scattering and attenuation from the thick steel structure, weakening information on the present or absence of fuel bundles. Simulations and laboratory experiments suggest that the high-energy neutron flux (>200 keV) measured directly above each fuel bundle is sufficient to produce a position map that enables detection of the present or absence of fuel bundles, and therefore diversion of a spent fuel bundle. A single-detector spent-fuel monitoring technique based on this principle was development at the Lawrence Livermore National Laboratory (LLNL). The INL Cask Farm in the INTEC technical area at Idaho National Laboratory (INL) offers the capability to test this technique on an MC-10 storage cask which has a distribution of full and empty fuel positions. An experimental test plan for the single-detector verification system was developed in consultation with INL personnel to be completed in FY2021. Due to travel advisories related to COVID-19, the experimental test plan was adapted to enable INL personnel to carry out the measurements in consultation with LLNL personnel following shipment of the LLNL system to INL. Field test measurements of the single detector verification system were successfully carried out at the INL cask farm on September 7-9, 2021. This document summarizes results of the field test.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Validating simulated mountain wave impacts on hub-height wind speed using SoDAR observations

The ascent of stably stratified air over a mountain barrier can trigger the generation of mountain waves. Mountain waves occur frequently over the Columbia River Gorge in western North America and can impact wind power generation over the area. Therefore, predicting the details of mountain waves events (e.g., dominant wavelength, timing, and duration) can be very valuable for the wind energy community. In this study, the ability of the Weather Research and Forecasting (WRF) model to simulate mountain waves and their impact on hub-height wind speed is investigated. Our results suggest that the WRF model has moderate skill in simulating observed mountain wave. Further, given WRF predictions of wavelength range and wave period, the Fast Fourier Transform can calculate the simulated mountain wave impact on hub-height wind speed. The resulting wind speeds agree well with SoDAR observations in terms of both magnitude and pattern. Finally, for the simulated cases, WRF consistently predicts impacts of significant mountain wave events about an hour earlier than the actual observations. Overall, in this work, the sensitivities as well as uncertainties associated with our methodology are discussed in detail.

17 WIND ENERGY↗

Summary of BISON Milestones: NEAMS FY2020 Report

This summary report contains an overview of work performed under the work package entitled "FY2020 NEAMS Advanced Fuels Performance'', which is focused on the development and support of the fuel performance code BISON. The second chapter lists FY20 milestones titles, completion schedule, and milestone level. Subsequent chapters summarize and demonstrate completion of the milestones. The last chapter outlines FY21 proposed future work. In FY20, the NEAMS program emphasized development of BISON for its application to advanced reactors. While there are a variety of advanced fuel concepts, based on interaction with industry and the Nuclear Regulatory Commission, the fuel types we chose to develop were metallic fast reactor, UN/UC and particle fuels. The last chapter of this report documents proposed work for FY21. We plan to continue work on metallic and particle fuel in terms of developing/calibrating models and to begin rigorous validation/assessment for both fuel types. Due to the merger of the NEAMS and CASL programs, FY21 will see a return to light water reactor model development and simulation; this time focused on advanced technology fuels. Additionally, we seek to improve BISON, fundamentally. As such, we plan improvements to BISON and MOOSE in terms of algorithmic robustness, performance, ease-of-use, and quality assurance.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Warming and snow loss increase reliance on old groundwater in a Colorado River headwater

Atmospheric warming is reducing snowpack, with uncertain effects on mountainous streamflow, a crucial water resource. Despite limited historical observations of groundwater–streamflow interactions above 2,500 m, new measurements in the Upper Colorado River headwaters indicate declining groundwater storage that is dated decades to millennia old. Here we use integrated hydrologic modelling spanning water years 2015–2021 to determine whether the loss of old-age groundwater buffers streamflow during low-snow years and whether that loss is exacerbated with warming. Results show that old-groundwater contributions to streams remain relatively steady through time, unlike the more variable contributions from young groundwater. Numerical experiments of increased surface air temperatures (+2.5 °C and +4 °C) increase rain–snow fractions and evapotranspiration and decrease runoff ratio by 2–3% per degree Celsius increase. As streamflow declines with warming, the age of groundwater supporting it gets older, in part owing to intermediate-aged (1–3 year) groundwater declining twice as fast. Simulations show that water table depths at higher elevations (>3,700 m) decline disproportionately and fail to recover even during wet years. These findings suggest altered groundwater–streamflow interactions with warming and snow loss, with implications for water resources.

Siirila-Woodburn, Erica R. [Lawrence Berkeley Nati↗