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At least 1,567 records · Page 87

Framework for Analysis and Visualization of Simulation Data (VizAly)

As supercomputing resources increase, cosmological scientists are able to run more detailed and larger simulations generating massive amounts of data. Analyzing these simulations with an available open-source toolkit is important for collaborative Department of Energy scientific discovery across labs, universities, and other partners. Developed software as a part of this collection include: comparing data with other existing simulations, verifying and validating results with observation databases, new halo finder algorithms, and using analytical tools to get insights into the physics of the cosmological universe. The goal of this software project is to provide a set of open-source libraries, tools, and packages for large-scale cosmology that allows scientists to visualize, analyze, and compare large-scale simulation and observational data sets. Developed software will provide a variety of methods for processing, visualization, and analysis of astronomical observation and cosmological simulation data. These tools are intended for deployment on multiple scientific computing platforms, including but not limited to personal computers, cloud computing, experimental sites (telescopes) and high performance supercomputers.

Wendelberger, Joanne↗

Bedrock v1.0

Bedrock is a code set of firmware libraries written in Verilog used by LBNL for accelerator controls and other applications. A set of commonly used building blocks in DSP (Digital Signal Processing) are present such as a CORDIC implementation, CIC filters, etc. Other useful functions include an in-fabric Ethernet core implementation to communicate with FPGAs over the network and support drivers for components such as ADCs and DACs we have used in our designs. The code base is intended to serve as a support library for HDL designs.

Doolittle, Lawrence↗

FieLDS

Field Landscape Decision Support (FieLDS) is a decision support tool that assists agricultural producers and farm managers in selecting parts of the field that can be converted to bioenergy plants, like perennial grasses, from the conventional use, like corn or soybean growth. That conversion of parts of the field is done based on the specific landscape properties and the agricultural producer’s priorities. The decision support tool generates a map of the field layout and spatially marks where to place each plant based on the spatial input from the user. Also, the user selects which priorities (sustainability indicators) are most relevant to them in their decision-making. By allowing the user to set the weights among the priorities, the tool empowers the user to generate field designs specific to their needs instead of imposing the developer’s set of priorities, and increases the transparency of the decision process.

Vazhnik, Veronika↗

Panel-Segmentation [SWR-21-18]

Panel-Segmentation contains the scripts for automated metadata extraction of solar PV installations, using satellite imagery coupled with computer vision techniques. In this package, the user can perform the following actions: *Automatically generate a satellite image using a set of lat-long coordinates, and a Google Maps API key. Users would need to set up a Google Cloud account and get a Maps Static API key. Please refer to Setting Up Google Maps Static API Key section for this process. *Perform image segmentation on the satellite image, to locate the solar array(s) in the image on a pixel-by-pixel basis, using an image segmentation model (panel_detection_model.pth). Get classification of the installation (rooftop, ground mounted fixed-tilt or tracking, carport, etc). *Perform azimuth estimation on each solar array cluster in the masked image. *Detect solar panels and get its latitude, longitude, and address within a geographic bounding box through the SOL-Searcher Pipeline. *Detect and calculate hurricane damage on solar installations given pre-hurricane and post-hurricane satellite imagery through the Hurricane Detection Pipeline. *Detect and calculate hail damage on solar installations given satellite imagery through the Hail Detection pipeline. *Convert NOAA MESH (Maximum Estimated Size of Hail) grib2 files into kml or geojson files. *Estimate tilt and azimuth of a solar array by processing USGS LiDAR data for the array’s location.

Edun, Ayobami↗

Cloud Phase and Relative Humidity Distributions over the Southern Ocean in Austral Summer Based on In Situ Observations and CAM5 Simulations

Cloud phase and relative humidity (RH) distributions at -67° to 0°C over the Southern Ocean during austral summer are compared between in situ airborne observations and global climate simulations. A scale-aware comparison is conducted using horizontally averaged observations from 0.1 to 50 km. Cloud phase frequencies, RH distributions, and liquid mass fraction are found to be less affected by horizontal resolutions than liquid and ice water content (LWC and IWC, respectively), liquid and ice number concentrations (Nc liq and Nc ice , respectively), and ice supersaturation (ISS) frequency. At -10° to 0°C, observations show 27%–34% and 17%–37% of liquid and mixed phases, while simulations show 60%–70% and 3%–4%, respectively. Simulations overestimate (underestimate) LWC and Nc liq in liquid (mixed) phase, overestimate Nc ice in mixed phase, underestimate IWC in ice and mixed phases, and underestimate (overestimate) liquid mass fraction below (above) -5°C, indicating that observational constraints are needed for different cloud phases. RH frequently occurs at liquid saturation in liquid and mixed phases for all datasets, yet the observed RH in ice phase can deviate from liquid saturation by up to 20%–40% at -20° to 0°C, indicating that the model assumption of liquid saturation for coexisting ice and liquid is inaccurate for low liquid mass fractions (<0.1). Simulations lack RH variability for partial cloud fractions (0.1–0.9) and underestimate (overestimate) ISS frequency for cloud fraction <0.1 (≥0.6), implying that improving RH subgrid-scale parameterizations may be a viable path to account for small-scale processes that affect RH and cloud phase heterogeneities. Lastly, two sets of simulations (nudged and free-running) show very similar results (except for ISS frequency) regardless of sample sizes, corroborating the statistical robustness of the model–observation comparisons.

54 ENVIRONMENTAL SCIENCES↗

Efforts to enhance reproducibility in a human performance research project

Background: Ensuring the validity of results from funded programs is a critical concern for agencies that sponsor biological research. In recent years, the open science movement has sought to promote reproducibility by encouraging sharing not only of finished manuscripts but also of data and code supporting their findings. While these innovations have lent support to third-party efforts to replicate calculations underlying key results in the scientific literature, fields of inquiry where privacy considerations or other sensitivities preclude the broad distribution of raw data or analysis may require a more targeted approach to promote the quality of research output. Methods: We describe efforts oriented toward this goal that were implemented in one human performance research program, Measuring Biological Aptitude, organized by the Defense Advanced Research Project Agency's Biological Technologies Office. Our team implemented a four-pronged independent verification and validation (IV&V) strategy including 1) a centralized data storage and exchange platform, 2) quality assurance and quality control (QA/QC) of data collection, 3) test and evaluation of performer models, and 4) an archival software and data repository. Results: Our IV&V plan was carried out with assistance from both the funding agency and participating teams of researchers. QA/QC of data acquisition aided in process improvement and the flagging of experimental errors. Holdout validation set tests provided an independent gauge of model performance. Conclusions: In circumstances that do not support a fully open approach to scientific criticism, standing up independent teams to cross-check and validate the results generated by primary investigators can be an important tool to promote reproducibility of results.

59 BASIC BIOLOGICAL SCIENCES↗

Performing k eff Validation of As-Loaded Criticality Safety Calculations Using UNF-ST&DARDS: Sensitivity Calculations

The general method for performing validation of as loaded criticality safety calculations using UNF ST&DARDS is presented in a paper by Clarity, which includes a description of the UNF-ST&DARDS system. Proof-of-principle analyses were performed in the summer of 2019 for MPC-32 dual purpose canisters (DPCs) containing pressurized water reactor (PWR) fuel assemblies. Summaries of these results are presented in this and a companion paper for this conference. The current paper describes the TSUNAMI-3D calculations performed to generate sensitivity data, and the companion paper discusses the selection of critical experiments applicable for validation of the 11 MPC-32 DPCs considered. The generation of sensitivity data for as-loaded spent nuclear fuel (SNF) DPCs is a challenge given the detailed model of the fuel compositions generated by UNF ST&DARDS. Each fuel assembly is modeled with its own irradiation history in 18 axial nodes, unless the fuel assembly is damaged and thus considered as fresh by design basis. This results in a set of 576 fuel compositions, each of which must be processed separately in a multigroup (MG) calculation. Therefore, a continuous-energy (CE) TSUNAMI-3D method was chosen to alleviate this challenge. Two CE TSUNAMI-3D methods are available in SCALE 6.2.3: the iterated fission probability (IFP) and contribution-linked eigenvalue sensitivity/uncertainty estimation via track-length importance characterization (CLUTCH). Since the IFP method is not feasible because of memory requirements associated with its implementation in SCALE, the CLUTCH method was selected for these calculations. CLUTCH has been implemented in SCALE in parallel, allowing long calculations to be performed in reasonable timeframes. The two primary user inputs necessary for CLUTCH calculations are the F*(r) mesh and the number of latent generations used in determining the F*(r) function. This F*(r) function is used as the importance function for fission chains originating in a given volume element (voxel), and it is calculated using the IFP method in the skipped generations. A large number of skipped generations is thus required to ensure accurate calculation of this importance function. In these calculations, 500 generations were used to calculate the F*(r) function. For more information regarding the calculation of F*(r), see Jones [4]. The remainder of this paper is focused on the selection of the F*(r) mesh and the number of latent generations.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

The Insertion Green Monster (iGM) Method for Expression of Multiple Exogenous Genes in Yeast

Being a simple eukaryotic organism, Saccharomyces cerevisiae provides numerous advantages for expression and functional characterization of proteins from higher eukaryotes, including humans. However, studies of complex exogenous pathways using yeast as a host have been hampered by the lack of tools to engineer strains expressing a large number of genetic components. In addition to inserting multiple genes, it is often desirable to knock out or replace multiple endogenous genes that might interfere with the processes studied. Here, we describe the “insertion Green Monster” (iGM) set of expression vectors that enable precise insertion of many heterologous genes into the yeast genome in a rapid and reproducible manner and permit simultaneous replacement of selected yeast genes. As a proof of principle, we have used the iGM method to replace components of the yeast pathway for methionine sulfoxide reduction with genes encoding the human selenoprotein biosynthesis machinery and generated a single yeast strain carrying 11 exogenous components of the selenoprotein biosynthetic pathway in precisely engineered loci.

Saccharomyces cerevisiae↗

A Multimodal Event Catalog and Waveform Data Set That Supports Explosion Monitoring from Nevada, U.S.A.

Multimodal, curated data sets and nuisance event catalogs remain rare in the explosion monitoring community relative to curated seismic data sets. The source of this relative absence is the difficultly in deploying multimodal receivers that sense the seismic, acoustic, and other modalities from multiphysics sources. We provide such a data set in this study that delivers seismic, infrasound, and electromagnetic (magnetometer) sensor records collected over a two–week period, within 255 km of a 10 ton buried chemical explosion called DAG–4 that was located at 37.1146°, –116.0693° on 22 June 2019 21:06:19.88 UTC. This catalog includes 485 seismic, seismoacoustic, and infrasound–only events that an expert analyst manually built by reviewing waveforms from 29 seismic and infrasound sensors. Our data release includes waveforms from these 29 seismic, infrasound, and seismoacoustic stations and two magnetometer stations and their station metadata. We deliver these waveforms in NNSA KB Core CSS.w format (i4) with a corresponding wfdisc table that provides the header information. Here, we expect that this data set will provide a valuable, benchmark resource to develop signal processing algorithms and explosion monitoring methods against manual, human observations.

58 GEOSCIENCES↗

Computed Tomography Scans of Naturally Mineralized Fractures in Upper Wolfcamp Shale

Computed tomography scans of fractures in small samples of Wolfcamp Shale from the Permian Basin and a depth of approximately 10,400 feet that have been cemented through natural processes. These samples were CT scanned at NETL. The data sets compliment the manuscript by Hajirezaie et al entitled "Mineral characterization of a sealed fracture: A multiscale multimodal imaging study of a syntaxial vein"

Computed Tomography↗

Summary Report of a Specialized Workshop on Nuclear Structure and Decay Data (NSDD) Evaluations

A three-day specialised workshop on Nuclear Structure and Decay Data Evaluations was organised and held at the headquarters of the International Atomic Energy Agency in Vienna, Austria, from 27 to 29 April 2015. This workshop covered a wide range of important topics and issues addressed when evaluating and maintaining the Evaluated Nuclear Structure Data File (ENSDF). The primary aim was to improve evaluators’ abilities to identify and understand the most appropriate evaluation processes to adopt in the formulation of individual ENSDF data sets. Participants assessed and reviewed existing policies, procedures and codes, and round-table discussions included the debate and resolution of specific difficulties experienced by ENSDF evaluators (i.e., all workshop participants). The contents of this report constitute a record of this workshop, based on the presentations and subsequent discussions.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Biased deposition of Nb-ON-Cu for SRF accelerators, Final Report

The Phase I project objectives were: Task 1: Design, assemble, and commission a new coating facility that uses the RF cavity as the vacuum chamber Task 3: Coat and RF test biased Cu cavity Task 4: Evaluate test results and prepare Ph-II bid. As for project accomplishments, AASC has completed all of the tasks of Ph-I. However, for Task 2, we found a limit to the bias voltage on a substrate placed at the radius of the beam pipe. A bias voltage higher than -50 V can induce arcing from the substrate to the grounded anode. Arc spots form on the substrate and damage the film. The main problem addressed by this SBIR project is that the price of niobium dominates the cost of superconducting RF cavity production. The most effective route to significant cost reduction is to use cavities that have a thin layer of niobium deposited on a less expensive substrate. However, all attempts to use thin films of niobium in superconducting RF cavities have to date resulted in cavity performance that does not meet the requirements of modern linear accelerators. Alameda Applied Sciences Corporation (AASC) has developed a novel deposition method that can produce high-purity films of niobium. For superconducting radio-frequency (SRF) accelerator cavities, films of niobium on another base material could provide good performance at lower cost than for bulk niobium. The primary goal of all thin film coated approaches must be to demonstrate RF performance that matches that of bulk Nb cavities. This Ph-I was not expected to accomplish this major milestone for thin film coated SRF cavities in just 9 months with limited resources. We set less ambitious goals of demonstrating that using our CED process to coat a biased substrate could result in an increase of RF performance over previous tests with no applied bias voltage. In this Ph-1, we obtained preliminary RF data from Nb coated biased cavity structures so as to move ahead in Ph-II to demonstration of performance that approaches that of bulk Nb. Our task has been made more daunting recently as several labs (Fermilab, Cornell, and JLab) have demonstrated significantly improved performance of bulk Nb cavities using nitrogen doping and rapid cool-down techniques. The bar has just been raised for thin films. At the 2013 SRF thin film workshop held at INFN in Padua Italy, leading scientists from the LHC tossed a gauntlet to the thin film community. The LHC plans a high luminosity upgrade starting in about 4 years. Upper management at CERN has stated that they would prefer not to use bulk Nb for the upgrade, which will require hundreds of new SRF cavities. But the thin film community has a short window in which to demonstrate that a Cu (or Al) cavity that is coated with Nb delivers the kind of performance that we have come to expect from bulk Nb: Q o >10 10 that stays flat up to 20 MV/m or higher, good statistics from multiple cavities and reliable operation over thousands of hours. Breakthroughs are needed to meet these daunting goals. AASC has persisted with this challenge for more than five years now, with the benefit of DOE SBIR funding. We aim to preserve our momentum and build upon our base to try to reach the lofty goals within four more years.

36 MATERIALS SCIENCE↗

Developing the User Experience for a Next Generation Nuclear Fuel Cycle Simulator (NGFCS)

This project made substantial progress on its original aim for providing a modern user experience for nuclear fuel cycle analysis while also creating a robust and functional next- generation fuel cycle simulator. The Cyclus kernel experienced a dramatic clari cation of its interfaces and data model, becoming a full- edged agent-based framework, with strong support for third party developers of novel archetypes. The most important contribution of this project to the the development of Cyclus was the introduction of tools to facilitate archetype development. These include automated code generation of routine archetype components, metadata annotations to provide re ection and rich description of each data member's purpose, and mechanisms for input validation and output of complex data. A comprehensive social science investigation of decision makers' interests in nuclear fuel cycles, and speci cally their interests in nuclear fuel cycle simulators (NFCSs) as tools for understanding nuclear fuel cycle options, was conducted. This included document review and analysis, stakeholder interviews, and a survey of decision makers. This information was used to study the role of visualization formats and features in communicating information about nuclear fuel cycles. A exible and user-friendly tool was developed for building Cyclus analysis models, featuring a drag-and-drop interface and automatic input form generation for novel archetypes. Cycic allows users to design fuel cycles from arbitrary collections of facilities for the rst time, with mechanisms that contribute to consistency within that fuel cycle. Interacting with some of the metadata capabilities introduced in the above-mentioned tools to support archetype development, Cycic also automates the generation of user input forms for novel archetypes with little to no special knowledge required by the archetype developers. Translation of the fundamental metrics of Cyclus into more interesting quantities is accomplished in the Cymetric python package. This package is speci cally designed to support the introduction of new metrics by building upon existing metrics. This concept allows for multiple dependencies and encourages building complex metrics out of incremental transformations to those prior metrics. New archetype developers can contribute their own archetype-speci c metric using the same capability. A simple demonstration of this capability focused on generating time-dependent cash ows for reactor deployment that could then be analyzed in di erent ways. Cyclist, a dedicated application for exploration of Cyclus results, was developed. It's primary capabilities at this stage are best-suited to experienced fuel cycle analysts, but it provides a basic platform for simpler visualizations for other audiences. An important part of its interface is the ability to uidly examine di erent slices of what is fundamentally a ve-dimensional sparse data set. A drag-and-drop interface simpli es the process of selecting which data is displayed in the plot as well as which dimensions are being used for

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Search for Non-thermal Dark Matter in Monojet Events in Proton-Proton Collisions at $\sqrt{s}$ = 13 TeV

This dissertation presents a search for dark matter in events with one or more jets and large missing transverse energy using proton-proton collisions at center-of-mass energy of 13 TeV. The data was collected in 2016 by the Compact Muon Solenoid (CMS) detector at the Large Hadron Collider (LHC) corresponding to an integrated luminosity of 35.9 $fb^{-1}$. The results are interpreted in terms of Light Non-thermal dark matter model which explains presence of dark matter as well as baryon asymmetry in the universe. Model independent limit on narrow resonance is also obtained for monojet dominant coupling parameter space. There is no evidence for an excess of events above the background processes in the signal region, therefore cross section limits are set for different mediator masses.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

ION Advanced Solvent CO 2 Capture Pilot Project

This final report to DOE/NETL presents all the work and tests performed during ION Engineering’s (ION) carbon dioxide (CO 2 ) capture pilot test campaign: “ION Advanced Solvent CO 2 Capture Project”. This project is comprised of three budget periods (BP): BP1 – Design of a 0.6 MWe system, BP2 – 0.5 MWe National Carbon Capture Center (NCCC) Testing Campaign, and BP3 – 12 MWe Technology Center at Mongstad (TCM) Testing Campaign. The program began in October 2013 and continued until December 2017. The campaign at NCCC, which took place from June to August of 2015, resulted in 1,116 operational hours where ~350 tonnes of CO 2 were captured from the 0.5 MWe coal-fired flue gas slipstream. The follow-up campaign at TCM took place from Oct 2016 to April 2017, where 2,775 hours of operation resulted in the capture of 14,820 tonnes of CO 2 , which is a cumulative of capturing CO 2 from the natural gas-fired Combined Heat and Power (CHP) plant, and a residue fluid catalytic cracker gas (RFCC) from Statoil at Mongstad. ION has conducted a thoughtful, comprehensive, and successful program in close collaboration with all its partners. CO 2 was successfully removed and captured for extended periods of time using three gas sources (NCCC Coal-fired Power plant, TCM CHP flue gas with and without CO 2 recycle, and TCM RFCC flue gas with air dilution) at various slipstream flows ranging from 0.5 MWe to 12 MWe. The data gathered on its solvent continues to strengthen the development of ION’s advanced solvent and positive track record in executing on-site test campaigns in highly industrialized settings. These existing pilot plants do not include the necessary process modifications that ION requires to obtain the lowest possible regeneration energy; processes such as a cold-rich bypass and intercooling, would allow for lowering the demonstrated specific reboiler duty. The resulting data was also used to validate the process model, and, in the absence of testing on a custom test rig specifically designed for ION’s advanced solvent, the results of the process model have shown specific reboiler duties under 2.5 MJ/kg CO 2 (1075 BTU/lb CO 2 ). When these regeneration energies are factored into the Techno-Economic Analysis (TEA), where ION’s technology is compared to the DOE/NETL BBS Case 12, which integrates a highly optimized and commercially available CO 2 capture technology, ION’s technology shows: 38% incremental reduction in capital cost of CO 2 capture; 28% incremental reduction in annual operating and maintenance costs of CO 2 capture; and $35-44 per tonne of CO 2 capture, which is a 20% to 40% reduction in cost of CO 2 capture. Throughout pilot testing, ION has confirmed its understanding of process improvements and analytics that will enable successful operation of its advanced solvent at significantly lower L/G circulation rates, packing heights and regeneration energies than MEA. ION has identified routes to further develop its technology and is looking forward to testing a fully optimized solvent and capture system in the near future.

01 COAL, LIGNITE, AND PEAT↗

Water Vapor Isotopic Composition from the Azores Field Campaign Report

This study used one year of in situ water vapor isotopologue measurements collected at the U.S. Department of Energy (DOE) Atmospheric Radiation Measurement (ARM) user facility observatory located on Graciosa Island, Azores. Low clouds have an especially strong feedback over the ocean and previous studies have primarily focused on low clouds in the subtropics. This means that the Azores location in the transition between subtropical and mid-latitude oceanic areas represents an opportunity to study the connection between water vapor isotopologues and mixing processes that determine low-cloud feedback in an underrepresented setting with different seasonal dynamics. The DOE ARM facility on Graciosa Island presents the opportunity to complement water vapor isotopologue measurements with a suite of instruments capable of measuring changing atmospheric conditions.

54 ENVIRONMENTAL SCIENCES↗

Summary of Expedited Results from Samples Supporting Tank Closure Cesium Removal (TCCR) Batch 3

Savannah River Remediation (SRR) is currently operating the Tank Closure Cesium Removal (TCCR) process to remove 137 Cs from tank waste supernate using an ion exchange process. As part of that process, Savannah River National Laboratory (SRNL) receives and analyzes samples in support of the qualification of each batch to be processed. SRNL recently received supernate samples retrieved from Tank 10H as well as in-tank batch contact samples for characterization in support of qualifying Batch 3 for processing through the TCCR unit. SRNL received and characterized a set of dip samples collected from Tank 10H (one surface and one variable depth sample). No solids were observed in either sample and therefore the samples were combined, and a suite of analyses were performed on the composite sample. The density of the combined sample was 1.174 g/mL (0.18 %RSD), which was consistent with the measured sodium concentration of 3.54 M (0.08 %RSD). The 137Cs activity in the sample was 4.75E+07 dpm/mL (4.28 %RSD) and the total Cs concentration was calculated to be 1.54 mg/L (1.16E-05 M). The in-tank batch contact samples consist of 0.1 g of crystalline silicotitanate (CST) contained within a teabag device. Duplicate samples were submerged in Tank 10H supernate for a period of about 13 days, after which time they were retrieved and transferred to SRNL for analysis. At SRNL the CST was rinsed to remove excess salt solution and the CST was then air dried before being digested for analysis. Results of the analysis indicated a 137 Cs loading of 3.66E+10 ± 1.40E+09 dpm/g or 16.5 ± 0.63 Ci/kg CST . This value represents a bounding upper limit as it includes the addition of two sigma uncertainty from replicate analysis of the individual teabag samples as well as the addition of the small amount of 137 Cs activity measured in the rinse solutions. The above values are based on the air-dried mass of CST. Correcting to the true dry mass using a F-factor of 0.8191 results in a maximum loading of 20.2 ± 0.77 Ci/kg CST .

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

DECOVALEX-2023, Task F Specification, Revision 8

This report is the revised (Revision 8) Task F specification for DECOVALEX-2023. Task F is a comparison of the models and methods used in deep geologic repository performance assessment. The task proposes to develop a reference case for a mined repository in a fractured crystalline host rock and a reference case for a mined repository in a salt formation. Teams may choose to participate in the comparison for either or both of the reference cases. For each reference case, a common set of conceptual models and parameters describing features, events, and processes that impact performance will be given, and teams will be responsible for determining how best to implement and couple the models. The comparison will be conducted in stages, beginning with a comparison of key outputs of individual process models, followed by a comparison of a single deterministic simulation of the full reference case, and moving on to uncertainty propagation and uncertainty and sensitivity analysis. This report provides background information, a summary of the proposed reference cases, and a staged plan for the analysis.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗