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At least 199 records · Page 11

Design and Implementation of Surface Eroding Thermocouples for Stage-One Modular Divertor Integration at the DIII-D Tokamak

The DIII-D has upgraded its upper divertor to a modular system using copper alloy pedestals to alter the divertor geometry without changing the vessel structure. Six new graphite tiles were designed for the shape and volume rise (SVR) divertor. Here, these new SVR tiles facilitated the formation of a poloidal array of 27 surface eroding thermocouples (SETCs) in the upper divertor region. At one location, a specialized recessed SETC, paired with a standard flush SETC, was installed in one of the ceiling tiles to provide comprehensive heat flux measurements, distinguishing between charged and noncharged particle contributions. Upgrades were made to the SETC system in the small-angle slot (SAS) divertor to improve overall performance. These upgrades included optimizing the feedthrough system to double the thermocouple cable capacity and reallocating cables from the SAS area to the SVR divertor. A compact isolation amplifier system with a fixed gain of 41 was employed to improve the signal level and minimize interference. Additionally, two analog-to-analog fiber systems were implemented for transmitting thermocouple signals over a single fiber, significantly reducing both noise levels and costs. The newly installed SETCs in the SVR divertor successfully completed initial commissioning testing. The SETCs captured the in-out asymmetry in the power distribution between the inner and outer strike points and demonstrated the dependency of the heat flux profile on the outer strike point location. During divertor detachment, heat flux mitigation was noted at the outer strike point location, while significant heat flux contributions from neutral particles were measured in the SVR divertor.

Divertor↗

ELM sputter erosion modeling of a tungsten coated small angle slot divertor in DIII-D

We modeled plasma edge localized mode (ELM) sputter erosion for a Small Angle Slot divertor with a tungsten coated region (SAS-VW), designed for experiments in the DIII-D tokamak, and proposed for use in future advanced tokamaks. The simulations use a free-streaming, 1000 eV, C +6 and D +1 ELM impingement model, with SOLPS-ITER, ITMC-DYN, and REDEP/WBC code packages for background plasma, material response, and erosion/redeposition respectively. The results show ELM'ing plasma gross and net tungsten erosion fluxes of the mixed-material C/W surface peaking at the slot entrance region, and an order of magnitude higher than for non-ELMs. The per-pulse erosion, however, remains low, of order 0.5 nm, due to expected moderate ELM frequencies and duration in DIII-D. Here, the ELMs result in a ~25x higher peak sputtered W current leaving the divertor slot region, towards the core plasma, compared to the ELM-free plasma case. The time-integrated escape current, however, may not significantly affect core plasma high-Z contamination concerns, for a 1% ELM duty factor, but may be an issue for higher frequency ELMs. In general, the modeling results appear favorable for effective testing of the SAS-VW divertor in DIII-D, and extrapolation to innovative divertor designs in future ITER-like and DEMO fusion devices.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

A discontinuous Galerkin method for general relativistic hydrodynamics in thornado

Discontinuous Galerkin (DG) methods provide a means to obtain high-order accurate solutions in regions of smooth fluid flow while still resolving strong shocks. These and other properties make DG methods attractive for solving problems involving hydrodynamics; e.g., the core-collapse supernova problem. With that in mind we are developing a DG solver for the general relativistic, ideal hydrodynamics equations under a 3+1 decomposition of spacetime, assuming a conformally-flat approximation to general relativity. With the aid of limiters we verify the accuracy and robustness of our code with several difficult test-problems: a special relativistic Kelvin-Helmholtz instability problem, a two-dimensional special relativistic Riemann problem, and a one- and two-dimensional general relativistic standing accretion shock (SAS) problem. We find good agreement with published results, where available. We also establish sufficient resolution for the 1D SAS problem and find encouraging results regarding the standing accretion shock instability (SASI) in 2D.

Dunham, Samuel↗

Fundamental mechanistic insights into the catalytic reactions of Li-S redox by Co single-atom electrocatalysts via operando methods

Lithium-sulfur batteries represent an attractive option for energy storage applications. A deeper understanding of the multistep lithium-sulfur reactions and the electrocatalytic mechanisms are required to develop advanced, high-performance batteries. We have systematically investigated the lithium-sulfur redox processes catalyzed by a cobalt single-atom electrocatalyst (Co-SAs/NC) via operando confocal Raman microscopy and x-ray absorption spectroscopy (XAS). The real-time observations, based on potentiostatic measurements, indicate that Co-SAs/NC efficiently accelerates the lithium-sulfur reduction/oxidation reactions, which display zero-order kinetics. Under galvanostatic discharge conditions, the typical stepwise mechanism of long-chain and intermediate-chain polysulfides is transformed to a concurrent pathway under electrocatalysis. In addition, operando cobalt K-edge XAS studies elucidate the potential-dependent evolution of cobalt’s oxidation state and the formation of cobalt-sulfur bonds. Our work provides fundamental insights into the mechanisms of catalyzed lithium-sulfur reactions via operando methods, enabling a deeper understanding of electrocatalysis and interfacial dynamics in electrical energy storage systems.

36 MATERIALS SCIENCE↗

Materials Data on AsS by Materials Project

SAs crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four SAs clusters. there are four inequivalent As2+ sites. In the first As2+ site, As2+ is bonded in a trigonal non-coplanar geometry to three S2- atoms. There are a spread of As–S bond distances ranging from 2.27–2.30 Å. In the second As2+ site, As2+ is bonded in a water-like geometry to two S2- atoms. There are one shorter (2.27 Å) and one longer (2.29 Å) As–S bond lengths. In the third As2+ site, As2+ is bonded in a water-like geometry to two S2- atoms. There are one shorter (2.26 Å) and one longer (2.30 Å) As–S bond lengths. In the fourth As2+ site, As2+ is bonded in a single-bond geometry to one S2- atom. The As–S bond length is 2.21 Å. There are four inequivalent S2- sites. In the first S2- site, S2- is bonded in a water-like geometry to two As2+ atoms. In the second S2- site, S2- is bonded in an L-shaped geometry to two As2+ atoms. In the third S2- site, S2- is bonded in a water-like geometry to two As2+ atoms. In the fourth S2- site, S2- is bonded in a water-like geometry to two As2+ atoms.

36 MATERIALS SCIENCE↗

Materials Data on AsS by Materials Project

SAs is High Pressure (4-7GPa) Tellurium-like structured and crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four SAs clusters. there are four inequivalent As2+ sites. In the first As2+ site, As2+ is bonded in a distorted trigonal non-coplanar geometry to three S2- atoms. There are a spread of As–S bond distances ranging from 2.28–2.30 Å. In the second As2+ site, As2+ is bonded in a water-like geometry to two S2- atoms. There are one shorter (2.27 Å) and one longer (2.30 Å) As–S bond lengths. In the third As2+ site, As2+ is bonded in a single-bond geometry to one S2- atom. The As–S bond length is 2.22 Å. In the fourth As2+ site, As2+ is bonded in a water-like geometry to two S2- atoms. There are one shorter (2.27 Å) and one longer (2.30 Å) As–S bond lengths. There are four inequivalent S2- sites. In the first S2- site, S2- is bonded in an L-shaped geometry to two As2+ atoms. In the second S2- site, S2- is bonded in a water-like geometry to two As2+ atoms. In the third S2- site, S2- is bonded in a water-like geometry to two As2+ atoms. In the fourth S2- site, S2- is bonded in a water-like geometry to two As2+ atoms.

36 MATERIALS SCIENCE↗

Materials Data on AsS by Materials Project

SAs crystallizes in the orthorhombic Cmc2_1 space group. The structure is one-dimensional and consists of two SAs ribbons oriented in the (0, 0, 1) direction. there are two inequivalent As2+ sites. In the first As2+ site, As2+ is bonded in a 6-coordinate geometry to six S2- atoms. There are a spread of As–S bond distances ranging from 2.44–2.93 Å. In the second As2+ site, As2+ is bonded in an L-shaped geometry to two S2- atoms. There are one shorter (2.29 Å) and one longer (2.36 Å) As–S bond lengths. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded to four As2+ atoms to form distorted corner-sharing SAs4 trigonal pyramids. In the second S2- site, S2- is bonded in a 2-coordinate geometry to three As2+ atoms.

36 MATERIALS SCIENCE↗

Materials Data on AsS by Materials Project

SAs crystallizes in the orthorhombic Pca2_1 space group. The structure is zero-dimensional and consists of four SAs clusters. there are eight inequivalent As2+ sites. In the first As2+ site, As2+ is bonded in a distorted trigonal non-coplanar geometry to three S2- atoms. There are one shorter (2.28 Å) and two longer (2.33 Å) As–S bond lengths. In the second As2+ site, As2+ is bonded in a trigonal non-coplanar geometry to three S2- atoms. There are a spread of As–S bond distances ranging from 2.28–2.33 Å. In the third As2+ site, As2+ is bonded in a single-bond geometry to one S2- atom. The As–S bond length is 2.27 Å. In the fourth As2+ site, As2+ is bonded in a single-bond geometry to one S2- atom. The As–S bond length is 2.27 Å. In the fifth As2+ site, As2+ is bonded in a single-bond geometry to one S2- atom. The As–S bond length is 2.28 Å. In the sixth As2+ site, As2+ is bonded in a single-bond geometry to one S2- atom. The As–S bond length is 2.28 Å. In the seventh As2+ site, As2+ is bonded in a 3-coordinate geometry to three S2- atoms. There are a spread of As–S bond distances ranging from 2.27–2.37 Å. In the eighth As2+ site, As2+ is bonded in a 3-coordinate geometry to three S2- atoms. There are a spread of As–S bond distances ranging from 2.26–2.37 Å. There are eight inequivalent S2- sites. In the first S2- site, S2- is bonded in a water-like geometry to two As2+ atoms. In the second S2- site, S2- is bonded in an L-shaped geometry to two As2+ atoms. In the third S2- site, S2- is bonded in a water-like geometry to two As2+ atoms. In the fourth S2- site, S2- is bonded in a water-like geometry to two As2+ atoms. In the fifth S2- site, S2- is bonded in an L-shaped geometry to two As2+ atoms. In the sixth S2- site, S2- is bonded in a water-like geometry to two As2+ atoms. In the seventh S2- site, S2- is bonded in a water-like geometry to two As2+ atoms. In the eighth S2- site, S2- is bonded in a water-like geometry to two As2+ atoms.

36 MATERIALS SCIENCE↗

Materials Data on AsS by Materials Project

SAs crystallizes in the orthorhombic Cmc2_1 space group. The structure is two-dimensional and consists of two SAs sheets oriented in the (0, 0, 1) direction. there are two inequivalent As2+ sites. In the first As2+ site, As2+ is bonded in a distorted trigonal non-coplanar geometry to three S2- atoms. There are one shorter (2.22 Å) and two longer (2.39 Å) As–S bond lengths. In the second As2+ site, As2+ is bonded in a T-shaped geometry to three S2- atoms. There are a spread of As–S bond distances ranging from 2.39–2.82 Å. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a 3-coordinate geometry to three As2+ atoms. In the second S2- site, S2- is bonded in a distorted T-shaped geometry to three As2+ atoms.

36 MATERIALS SCIENCE↗

Spectra Swarm Evaluation

Spectra Swarm product is an ethernet to Serial-attached-SCSI(SAS) bridge that allows a hostserver to communicate with SAS tape drives over ethernet using RDMA over ConvergedEthernet (RoCE).

97 MATHEMATICS AND COMPUTING↗

SOLPS-ITER modeling of drift effects in DIII-D double-null AT configurations (Final Report)

At the DIII-D tokamak, our collaborative research program supported divertor development. Specifically, we focused on slot-type divertors called SAS divertors. Modeling of conceptual SAS configurations with SOLPS-ITER, including full drifts, has provided insights that can guide future modeling and experimental research related to tightly baffled slot divertors.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Validation of MFUEL Metal Fuel Performance Models of SAS4A/SASSYS-1

The fuel characterization models of SAS4A/SASSYS-1 (SAS) have recently been extended to include a new U-Pu-Zr metal fuel model, MFUEL. MFUEL is equipped with mechanistic physics based models to predict the pre-transient characterization and transient response of metal fuel, with emphasis on fuel melting, cladding failure, and the metal fuel’s impact on core reactivity. The MFUEL model will be available in the full version of SAS4A/SASSYS-1 5.7, which is scheduled to be released in June 2023. Fast reactor fuel pins that operated in EBR-II and FFTF with low smear density U-Zr and U-Pu-Zr metal fuels and irradiation resistant ferritic-martensitic cladding showed significant advantages in achieving high burnups and assuring inherent safety characteristics during anticipated transients, design basis events, and beyond design basis events. For safety analysis, a fuel performance model must be able to predict (1) Fuel pin mechanics and compositional and dimensional changes, (2) Clad failure, and (3) Fuel pin thermal resistance. Achieving these high level goals accurately is strongly related to the model performance of individual physical processes taking place within a fuel pin during its lifetime. Metal fuels typically operate above the mid-point temperature of melting during normal, as well as off-normal, conditions. At these elevated temperatures, the availability of thermal activation provides a driving force for various diffusional processes leading to complex phase transformations, micro-structure evolution, significant amounts of fuel swelling, interconnected porosity formation, excessive amounts of fission gas release, and fuel clad chemical interactions. Clad failure in fast reactors primarily occurs as a result of creep rupture augmented by clad wastage formation. The reaction is driven by thermal creep induced dislocation motion, grain boundary cavity nucleation, growth and breakup of grain boundaries. The high level complexity and limited available data requires introducing physics-based modeling approaches to gain extrapolation ability and sensitivity with respect to various conditions. The objective of this report is to perform validation of MFUEL using the experimental data for (1) Normal operation EBR-II fuel behavior, (2) Normal operation PHENIX fuel behavior, (3) HT9 Pressure tube ramp-and-hold creep rupture tests, (4) Whole Pin Furnace (WPF) creep strain, creep rupture and eutectic tests, (5) Fuel Behavior Test Apparatus (FBTA) eutectic tests, and (6) TREAT M5-7 OverPower tests up to clad failure. Section-2 includes a brief description of the MFUEL models. A detailed description of the MFUEL physics-based, semi-empirical models will be presented in the SAS V 5.7 theory manual. Section-3, 4, and 5 describes the validation effort for the pre-transient irradiation, furnace transients, and TREAT M-Series transients, respectively.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

SAS4A/SASSYS-1 Version 5.7 and 5.6 Release Notes

SAS4A/SASSYS-1 (SAS) is a simulation tool used to perform deterministic analyses of anticipated events as well as design basis and beyond design basis accidents for advanced liquid-metal-cooled nuclear reactors. In this report, the major developments that were implemented in Versions 5.7 and 5.6 are summarized and an overview of all changes made between versions is presented. SAS Version 5.7 and 5.6 introduced a number of modeling improvements that allow users to capture important phenomena, such as pump heating and metallic fuel performance.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

E-Area Low-Level Waste Facility Multitiered Groundwater and Intruder Radionuclide Screening

Solid Waste Management (SWM) operates the E-Area Low-Level Waste Facility (ELLWF) where low level on-site and off-site solid waste streams are buried. The facility has been in operation since late 1994 and is currently projected to remain in operation until 2065. This facility can accommodate a broad range of waste forms resulting from the six different types of disposal unit (DU) options (i.e., varying degrees of engineered barriers → trenches to concrete vaults). This facility is currently operating under a Performance Assessment (PA) issued back in 2008 (WSRC 2008), along with several subsequent supporting Special Analyses (SAs). The Savannah River National Laboratory (SRNL) developed the prior PAs and SAs and was tasked to update the facility’s upcoming PA, most likely to be issued during FY2023. For operating the E-Area facility, a Consolidated Waste Tracking System (CWTS) is actively employed by waste generators where every radionuclide entering the facility, to be buried in one of its many DUs1, must be either directly or indirectly tracked. Since there are many radionuclides in existence (>3,000), the International Commission on Radiological Protection (ICRP), specially ICRP Publication 107, has provided guidance on the subset of radionuclides requiring further assessment in landfills such as the ELLWF. The ICRP 107 publication provides critical radiological information on 1,252 radionuclides consisting of 97 elements. This database, along with the current dose coefficients that have been developed for these radionuclides in DOE-STD-1196-2011 (DOE 2011), is the critical starting point for developing a consistent inventory limit system.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

MPEX AI Digital Twins

All magnetically confined plasma fusion power plant concepts (Tokamak, Spherical Tokamak, Stellarator, Mirror, ...) must exhaust the heat and plasma from the core confinement region to the material walls. The primary channel for this exhaust is through a plasma divertor which directs plasma along open magnetic field lines to a material target. The Material Plasma Exposure eXperiment (MPEX) illustrated in Figure 1, is a high-power, steady-state linear plasma device designed to produce the plasma material interaction (PMI) conditions of the divertor of future magnetic confinement fusion power plants: energy flux 20MW/m 2 , ion fluence 1031/m 2 , pulse duration 106 sec. These goals of plasma exposure in MPEX are well beyond those achieved in magnetic fusion experimental devices. Successfully achieving these high power steady state conditions for long pulses requires operational control of the heating and particle sources and the plasma flux to the walls and target. The MPEX AI Hot Spot Controller, proposed in this project, will help achieve the operational milestones of MPEX. The MPEX device will begin commissioning at the end of FY26. A smaller proto-MPEX was operated for 14,666 plasma discharges and will resume operation in September of 2025 as proto-MPEX-lite, with reduced capability, to test a new window for the Helicon plasma source. The proto-MPEX data has undergone surrogate modeling with machine learning methods (R. Archibald, 2022 IEEE International Conference on Big Data). This proto-MPEX data will be used to begin development of the AI digital twins described in this white paper. The scientific mission of MPEX is to qualify materials of different composition for use in the high energy and plasma flux conditions of a fusion power plant. The materials exposed in MPEX will in some cases be exposed to high neutron fluxes at other ORNL facilities to measure the changes to their PMI properties. The targets exposed in MPEX will be transported under vacuum to a Surface Analysis Station (SAS). The SAS will be equipped with the following diagnostics: Focused Ion Beam (FIB) for trench milling, 100-400 angstrom resolution scanning electron microscope (SEM), surface mapping x-ray spectrometer, high resolution camera, and a future upgrade to a laser induced breakdown spectroscopy quadruple mass spectrometer (LIBS-QMS). The MPEX experiments will generate diverse pre- and post-exposure measurement data of detailed material properties down to the crystal grain level in 3D for post-exposure assessment of PMI damage (e.g. cracking, melting, erosion and redeposition of the material). Physics models for the PMI, and how the material composition and manufacturing impact its performance under high energy plasma exposure, need to be validated with MPEX data to guide the selection of new candidate materials. Our vision for the MPEX AI Digital Twins project is to supply experimental and physics model simulation data to train Artificial Intelligence (AI) models for data processing, analysis, operational control, PMI and materials simulation to maximize the scientific output of the MPEX device. Ultimately, an AI digital twin of MPEX material assessment metrics for tested and synthetic material types with simulated PMI will be trained by the AI Modeling Teams on the experimental and physics simulation data submitted to the American Science Cloud by this project. A purely empirical search for the best material is inefficient given the finite number of samples that can be tested on MPEX. In order to expand the material properties database for training the MPEX Material Assessment AI Digital Twin, and to gain physics understanding of the PMI processes, physics models of the material properties and PMI processes are required. The physics simulations provide detailed simulation data, like impact angles for plasma ions, sputtering yields, transport of the ionized sputtered target material in the plasma, and redeposition locations. This simulation data expands the measurement data for deeper physics understanding. The experimental data is essential to validate the PMI and material structure simulation models. The validated models can then be used to generate new simulation data of MPEX material assessments for synthetic material compositions that have not been exposed in MPEX. These predictive simulations, plus the whole experimental dataset, will be used to train the MPEX Material Assessment AI Digital Twin allowing a rapid generative AI search for new materials with reduced PMI damage by interpolating the domain of the training set. These new optimum materials can be simulated with the physics codes and/or tested in MPEX. The ability of AI neural networks to interpolate multi-dimensional parameter spaces and generate virtual data is exploited for a more efficient search for optimum materials. The advent of the Transformational AI Models Consortium (TAIMC) is an opportunity to engage with state of the art private and public AI developers to achieve the goals of the AI digital twins and AI accelerated physics models proposed in this project. Our partners at ORNL from the Advance Scientific Computing Research (ASCR) organization will collaborate in accelerating the integrated plasma material interaction simulation framework. This simulation framework will provide a platform for generating simulation data across a range of physical fidelities, including hybrid methods that produce multi-fidelity results. This data will be leveraged for AI model development, both for generation of surrogates and the automation of simulation campaigns. A part of the research below will include collaborative efforts with the TAIMC to (i) adapt data storage approaches to ensure AI-readiness, (ii) provide a protypical exemplar to inform and exercise constructed workflows, and (iii) generate and share data, using the TAIMC unified AI data standard, for foundational models that will be trained from multiple sources across the DOE complex. We will also collaborate with the TAIMC, as well as the planned AI modeling teams, to develop approaches for reducing the cost of data generation. These include tailored multi-fidelity approaches as well as fine-tuning strategies to augment general, large-scale foundational models.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Ru Single Atoms on One-Dimensional CF@g-C 3 N 4 Hierarchy as Highly Stable Catalysts for Aqueous Levulinic Acid Hydrogenation

Herein, we report a stable catalyst with Ru single atoms anchored on a one-dimensional carbon fiber@graphitic carbon nitride hierarchy, by assembling wet wipes composed of fiber-derived carbon fiber (CF), melamine-derived graphitic carbon nitride (g-C3N4) and RuCl3 before NaBH4 reduction. The atomically dispersed Ru species (3.0 wt%) are tightly attached via N-coordination provided by exterior g-C3N4 nanosheets, and further stabilized by the interior mesoporous CF. The obtained CF@g-C3N4–Ru SAs catalyst can be cycled six times without notable leaching of Ru or loss of GVL yield in the acidic media. This catalyst is more stable than Ru nanoparticles supported on CF@g-C3N4, as well as Ru single atoms anchored on CF and g-C3N4, and proves to be one of the most efficient metal catalysts for aqueous LA hydrogenation to γ-valerolactone (GVL). The isolated Ru atoms by strong N-coordination, and their enhanced electron/mass transfer afforded by the one-dimensional hierarchy, can be responsible for the excellent durability of CF@g-C3N4–Ru SAs under harsh reaction conditions.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Nutational stability of a dual-spin satellite under the influence of applied reaction torques

It is assumed that since the solar paddle attachments to the hub of the spacecraft are not rigidly locked, the effect of the solar panels can be replaced by a constant reaction torque acting on the hub of the spacecraft. This could result in the satellite having an equilibrium motion about an axis displaced from the nominal axis of symmetry. The variational equations of motion are developed about such an equilibrium position using the SAS-A spacecraft as a model. Energy dissipation on the rotor as well as the main body is included. This nonautonomous set of differential equations are linearized and transformed to an autonomous set using the Liapunov reducibility theorem. The stability of the kinematically similar system is examined numerically using representative SAS-A parameters for the case when either pair of solar panels is assumed to be loosely attached. Stability is verified for small system nutation angles (0.1 degree).

Bainum, P. M.↗

Pilot/vehicle control optimization using averaged operational mode and subsystem relative performance index sensitivities

A method is presented for designing optimal feedback controllers for systems having subsystem sensitivity constraints. Such constraints reflect the presence of subsystem performance indices which are in conflict with the performance index of the overall system. The key to the approach is the use of relative performance index sensitivity (a measure of the deviation of a performance index from its optimum value). The weighted sum of subsystem and/or operational mode relative performance index sensitivies is defined as an overall performance index. A method is developed to handle linear systems with quadratic performance indices and either full or partial state feedback. The usefulness of this method is demonstrated by applying it to the design of a stability augmentation system (SAS) for a VTOL aircraft. A desirable VTOL SAS design is one that produces good VTOL transient response both with and without active pilot control. The system designed using this method is shown to effect a satisfactory compromise solution to this problem.

Leininger, G. G.↗