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At least 1,351 records · Page 75

Modeling liquid organic thin films on substrates

We present the rationale, methods, and results of modeling of thin film organic liquids on various substrates. These liquids may coat surfaces (substrates) either as a result of their production, dispersal via aerosols or spills. Identification of unknown coated surfaces using either reflectance or emittance spectroscopy cannot be accomplished simply through reference to reflectance signature libraries since neither the thickness of the liquid layer nor the substrate type is known beforehand and both contribute to the signature. Liquid spectral libraries offer the complex index of refraction (n,k) as a function of wavelength which by itself is useful only for thick (bulk) liquid layers via computation of reflectance and transmittance coefficients using the Fresnel equations. Thin liquid layers both reflect and refract incident light in combination with reflectance from the substrate. We show modeling of various organic liquids on substrates using commercial thin film design and modeling software, as well as Monte Carlo ray tracing software to demonstrate the variety of potential signatures encountered that depend on the thickness of the liquid layer as well as the characteristics of the substrate (metal or dielectric). These substrates give rise to transflectance behavior, while many dielectric substrates have rich absorption features that provide complex signatures that combine attributes of both the liquid and the substrate. Knowledge of the complex index of refraction of both target liquids and substrates is essential in order to synthesize spectra necessary in the application of target identification algorithms.

complex index of refraction↗

Eigenvalue routines in NASTRAN: A comparison with the Block Lanczos method

The NASA STRuctural ANalysis (NASTRAN) program is one of the most extensively used engineering applications software in the world. It contains a wealth of matrix operations and numerical solution techniques, and they were used to construct efficient eigenvalue routines. The purpose of this paper is to examine the current eigenvalue routines in NASTRAN and to make efficiency comparisons with a more recent implementation of the Block Lanczos algorithm by Boeing Computer Services (BCS). This eigenvalue routine is now available in the BCS mathematics library as well as in several commercial versions of NASTRAN. In addition, CRAY maintains a modified version of this routine on their network. Several example problems, with a varying number of degrees of freedom, were selected primarily for efficiency bench-marking. Accuracy is not an issue, because they all gave comparable results. The Block Lanczos algorithm was found to be extremely efficient, in particular, for very large size problems.

Tischler, V. A.↗

SNPP and NOAA-20 VIIRS On-Orbit Geolocation Trending and Improvements

Two Visible Infrared Imaging Radiometer Suite (VIIRS) sensors have been in operations for more than 8.5 and 2.5 years since they were launched in October 2011 on SNPP satellite and in November 2017 on NOAA-20 satellite, respectively. These are two satellites in the Join Polar Satellite System (JPSS) constellation, of which Suomi National Polar-orbiting Partnership (SNPP) is a risk reduction satellite and NOAA-20 is the first of four JPSS satellites(JPSS-1 became NOAA-20 after launch). Accurate geolocation is a critical element in data calibration for accurate retrieval of global biogeophysical parameters. In this paper, we describe the latest trends in the continuously improved geolocation accuracy in VIIRS Collection-1 (C1) and C2 re-processing. We implemented a VIIRS instrument geometric model update (VIGMU)for both sensors that correct for geolocation error oscilations in the scan direction. We borrowed code from Moderate Resolution Imaging Spectroradiometer (MODIS) geolocation software to correct for time-dependent pointing variations, that are particularly acute in NOAA-20 VIIRS, and some pointing anomalies in SNPP VIIRS. We developed a Kalman Filter using gyrodata to correct for attitude errors due to the degradation of the star trackers performance from the SNPP satellite. We also present an improved ground control point matching (CPM) tool, in which the ground control point (GCP) chips library is refreshed using recently launched Landsat-8 images.

SNPP↗

THE NEW ONLINE METADATA EDITOR FOR GENERATING STRUCTURED METADATA

Nobody is better suited to “describe” data than the scientist who created it. This “description” about a data is called Metadata. In general terms, Metadata represents the who, what, when, where, why and how of the dataset [1]. eXtensible Markup Language (XML) is the preferred output format for metadata, as it makes it portable and, more importantly, suitable for system discoverability. The newly developed ORNL Metadata Editor (OME) is a Web-based tool that allows users to create and maintain XML files containing key information, or metadata, about the research. Metadata include information about the specific projects, parameters, time periods, and locations associated with the data. Such information helps put the research findings in context. In addition, the metadata produced using OME will allow other researchers to find these data via Metadata clearinghouses like Mercury [2][4]. OME is part of ORNL’s Mercury software fleet [2][3]. It was jointly developed to support projects funded by the United States Geological Survey (USGS), U.S. Department of Energy (DOE), National Aeronautics and Space Administration (NASA) and National Oceanic and Atmospheric Administration (NOAA). OME’s architecture provides a customizable interface to support project-specific requirements. Using this new architecture, the ORNL team developed OME instances for USGS’s Core Science Analytics, Synthesis, and Libraries (CSAS&L), DOE’s Next Generation Ecosystem Experiments (NGEE) and Atmospheric Radiation Measurement (ARM) Program, and the international Surface Ocean Carbon Dioxide ATlas (SOCAT).Researchers simply use the ORNL Metadata Editor to enter relevant metadata into a Web-based form. From the information on the form, the Metadata Editor can create an XML file on the server that the editor is installed or to the user’s personal computer. Researchers can also use the ORNL Metadata Editor to modify existing XML metadata files.As an example, an NGEE Arctic scientist use OME to register their datasets to the NGEE data archive and allows the NGEE archive to publish these datasets via a data search portal (http://ngee.ornl.gov/data). These highly descriptive metadata created using OME allows the Archive to enable advanced data search options using keyword, geo-spatial, temporal and ontology filters. Similarly, ARM OME allows scientists or principal investigators (PIs) to submit their data products to the ARM data archive.How would OME help Big Data Centers like the Oak Ridge National Laboratory Distributed Active Archive Center (ORNL DAAC)?The ORNL DAAC is one of NASA’s Earth Observing System Data and Information System (EOSDIS) data centers managed by the Earth Science Data and Information System (ESDIS) Project. The ORNL DAAC archives data produced by NASA's Terrestrial Ecology Program. The DAAC provides data and information relevant to biogeochemical dynamics, ecological data, and environmental processes, critical for understanding the dynamics relating to the biological, geological, and chemical components of the Earth's environment. Typically data produced, archived and analyzed is at a scale of multiple petabytes, which makes the discoverability of the data very challenging. Without proper metadata associated with the data, it is difficult to find the data you are looking for and equally difficult to use and understand the data.OME will allow data centers like the NGEE and ORNL DAAC to produce meaningful, high quality, standards-based, descriptive information about their data products in-turn helping with the data discoverability and interoperability. Useful Links:USGS OME: http://mercury.ornl.gov/OME/NGEE OME: http://ngee-arctic.ornl.gov/ngeemetadata/ARM OME: http://archive2.ornl.gov/armome/Contact: Ranjeet Devarakonda (devarakondar@ornl.gov)References:[1] Federal Geographic Data Committee. Content standard for digital geospatial metadata. Federal Geographic Data Committee, 1998.[2] Devarakonda, Ranjeet, et al. "Mercury: reusable metadata management, data discovery and access system." Earth Science Informatics 3.1-2 (2010): 87-94.[3] Wilson, B. E., Palanisamy, G., Devarakonda, R., Rhyne, B. T., Lindsley, C., & Green, J. (2010). Mercury Toolset for Spatiotemporal Metadata.[4] Pouchard, L. C., Branstetter, M. L., Cook, R. B., Devarakonda, R., Green, J., Palanisamy, G., ... & Noy, N. F. (2013). A Linked Science investigation: enhancing climate change data discovery with semantic technologies. Earth science informatics, 6(3), 175-185.

FGDC CSDGM↗

Calculating uncertainty on K-effective with MONK10 - 14583

Criticality safety assessments require a demonstration that a particular configuration of fissile material has an adequate sub-critical margin (k-effective sufficiently below unity) to ensure that the risk of criticality under normal operation and accident conditions is acceptable. The required sub-critical margin depends upon the uncertainty in the estimated value of k-effective. The uncertainty in the calculated value of k-effective arises from a number of sources, including: manufacturing tolerances on input data to the code (affecting geometry, compositions and densities), uncertainty in the nuclear data used by the code, stochastic uncertainty resulting from Monte Carlo simulation and modelling approximations/errors, including the inevitable bugs in the software. The ANSWERS Software Service, in collaboration with industrial partners, is developing a number of techniques to better understand and quantify uncertainty on predicted values of k-effective, using MONK. The SPRUCE utility code has been developed to allow uncertainty to be estimated using sampling methods. This can include the sampling of input parameters (including dimensions, compositions and densities) from statistical distributions. It can also include sampling different nuclear data libraries. A set of nuclear data libraries has been generated for this purpose by sampling from statistical distributions that represent the uncertainties in the published nuclear data evaluated files; a set of libraries has been produced for Latin Hypercube Sampling. By varying the input data and nuclear data, separate and combined uncertainties due to manufacturing tolerances and nuclear data can be derived. By performing least squares fitting on the results it is also possible to estimate the contribution of each of the uncertain inputs and a sensitivity method in MONK can break down the nuclear data uncertainty. (authors)

42 ENGINEERING↗

Software for Processing Flight and Simulated Data of the ATIC Experiment

ATIC (Advanced Thin Ionization Calorimeter) is a balloon borne experiment designed to measure the cosmic ray composition for elements from hydrogen to iron and their energy spectra from approx.50 GeV to near 100 TeV. It consists of a Si-matrix detector to determine the charge of a CR particle, a scintillator hodoscope for tracking, carbon interaction targets and a fully active BGO calorimeter. ATIC had its first flight from McMurdo, Antarctica from 28/12/2000 to 13/01/2001. The ATIC flight collected approximately 25 million events. A C++-class library for building different programs for processing flight and simulated data of the ATIC balloon experiment is described. This library is compatible with the ROOT-system and includes classes and methods for solving a number of problems as the following: Reading data files in different formats (raw-data format, ROOT-format, ASCII-format, different formats for simulated data); Transferring all these formats to the only inner format of the library; Reconstruction of trajectories of primary particles with BGO calorimeter only. The Monte-Carlo simulations with GEANT code were used to obtain the basic tables for computing error corridors and chi(sup 2)-values for the trajectories. Obtaining error corridors for searching for signal of primary particle in the Si-matrix; Searching for hit of primary particle in the Si-matrix with using of error corridor and other criteria (chi(sup 2)-values, agreement between signals in Si-matrix and in the upper layer of scintillator and others); Determination of charge of primary particle; Determination of energy deposit in BGO calorimeter.

Panov, A. D.↗

Performance Debugging and Tuning of Flash-X with Data Analysis Tools

State-of-the-art multiphysics simulations running on large scale leadership computing platforms have many variables contributing to their performance and scaling behavior. We recently encountered an interesting performance anomaly in Flash-X, a multiphysics multicomponent simulation software, when characterizing its performance behavior on several large-scale HPC platforms. The anomaly was tracked down to the interaction between the use of dynamic allocation of scratch data and data locality in the cache hierarchy. In this paper we present the details of unexpected performance variability of Flash-X, its extensive analysis using the performance measurement tool TAU to collect the data and Python data analysis libraries to explore the data, and our insights from this experience. In this process, we discovered and removed or mitigated two additional performance limiting bottlenecks for performance tuning.

Huck, Kevin↗

Geant4 based positron beam source (GPos) v1.0

GPos is a software that was created to determine the properties of positron beams resulting from the interaction of the LBNL BELLA center PetaWatt laser-driven plasma-capillary accelerated electron beam and the atoms of a thin solid target. GPos is written in C++, easily compiled with cmake and the spack package manager, which allows for multi-thread and MPI parallel computing. Its functions expand on the Geant4 toolkit library and allow for propagation of the modelled particles through vacuum drift distances with a focusing element (thin lens approximation). Users can change beam-foil-drift-lens parameters - to adapt GPos to other particle sources and infrastructures - in a simple input file. The code particle data output format, openPMD, which is compatible, for example, with the input of the ECP WarpX project code used to explore the physics of particle acceleration in plasmas. Using GPos in conjunction to WarpX allowed us to test various configurations for designing a high-quality and high-energy positron source at BELLA -required for us to address positron acceleration challenges in the development of future linear colliders. GPos can also be advantageous when tackling the physics of muon sources for future muon colliders as well as for the investigation of positron sources in lower energy regimes for applications like annihilation spectroscopy and astrophysical gamma-ray-bursts.

Pinto de Almeida Amorim, Ligia↗

Data Analyst - A Device for Continuous Repeating Real-Time Assay of HPGe, CZT, or Scintillation Gamma Spectra - 18574

There are many situations where a continuous repeating series of quantitative gamma spectral assays is desirable. These include measurements of fluid going through a pipe, of items on a conveyor passing under a detector, a detector aimed at the ground on a moving platform, or a detector in free air as a plume of radioactivity drifts by. While Canberra and many others have built and deployed many of these devices, they have all been custom built for that particular application, and rather expensive. The Data Analyst [DA] is a general purpose device that is designed to fulfill many of these applications without modification, but can be fairly-easily modified if needed. The DA is a small [12 x 18 x 5 cm], low-power [3 W] box that accepts the input from external MCAs, controls the acquisition cycle, analyzes the results, and transmits them to the outside world when needed. The detector-MCAs supported are HPGe with Lynx MCA, NaI or CeBr or LaBr with Osprey MCA, and CZT or CsI with internal MCAs. The DA internal software used for analysis is the full standard Genie analysis software, which is very widely used and well accepted in the industry. This allows exported spectral files to be reviewed and confirmed by Experts, and reanalyzed if needed. The DA hardware is totally autonomous. As soon as power is applied, it starts the pre-programmed sequences of acquisition and analysis. Multiple analysis sequences [called Workflows] can be in operation simultaneously, e.g. with different count times and different nuclide libraries. Only the detector with MCA, and the DA are required in the field. A PC can be connected to the DA locally or remotely via WiFi, USB, or Ethernet. The PC is needed to setup the DA, and to readout the results. The DA also supports [with application-specific programming] external Inputs/Outputs either for recording with the analysis results or for use in the computation of the result, e.g. temperature, flow rate, pressure, ... ]. The DA also has an internal GPS receiver with external antenna. Applications of the DA that are discussed include stack gas effluent activity where a portion of the effluent stream was extracted to flow through a shield with a HPGe detector and Lynx MCA, and measurement of reactor coolant activity where a shielded CZT detector and MCA were aimed at various sections of reactor primary coolant during a maintenance outage. Potential other applications are also described. (author)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

SIDIS-RC EvGen: A Monte-Carlo event generator of semi-inclusive deep inelastic scattering with the lowest-order QED radiative corrections

SIDIS-RC EvGen is a C++ standalone Monte-Carlo event generator for studies of semi-inclusive deep inelastic scattering (SIDIS) processes at medium to high lepton beam energies. In particular, the generator contains binary and library components for generating SIDIS events and calculating cross sections for unpolarized or longitudinally polarized beam and unpolarized, longitudinally or transversely polarized target. The structure of the generator incorporates transverse momentum-dependent parton distribution and fragmentation functions, whereby we obtain multi-dimensional binned simulation results, which will facilitate the extraction of important information about the three-dimensional nucleon structure from SIDIS measurements. In order to build this software, we have used recent elaborate QED calculations of the lowest-order radiative effects, applied to the leading order Born cross section in SIDIS. Here, in this paper, we provide details on the theoretical formalism as well as the construction and operation of SIDIS-RC EvGen, e.g., how we handle the event generation process and perform multi-dimensional integration. We also provide example programs, flowcharts, and numerical results on azimuthal transverse single-spin asymmetries.

97 MATHEMATICS AND COMPUTING↗

Rapid Optimization Library

ROL provides interfaces to and implementations of algorithms for gradient-based unconstrained and constrained optimization. ROL can be used to optimize the response of any client simulation code that evaluates scalar-valued response functions. If the client code can provide gradient information for the response function, ROL will take advantage of it, resulting in faster runtimes. ROL's interfaces are matrix-free, in other words ROL only uses evaluations of scalar-valued and vector-valued functions. ROL can be used to solve optimal design problems and inverse problems based on a variety of simulation software.

Kouri, DrewKouri↗

Root Cause Analysis of the Data Refinement Process – Medical Conditions Capability Resource Tables

The medical system for spaceflight thus far has been designed to support missions in low earth orbit (LEO). Crew capabilities are limited and heavily dependent on the team of medical support staff at Mission Control Center (MCC) to guide diagnosis and management. However, missions to the Moon and Mars will suffer from several constraints that will make this ground support focused approach to care ineffective. In order to update and modify medical system design, NASA has relied on Probabilistic Risk Assessment (PRA) modeling to mitigate medical risk through trade space analysis. Specifically, capability resource tables (CRT’s) were developed to create a dataset of resources required to manage a list of accepted medical conditions significant in exploration spaceflight. With 120 conditions, this dataset contained hundreds of capabilities and thousands of resources with tens of thousands of cells of data. Initially these tables were built in excel for high throughput during development, but ultimately had to be transferred, managed, and modified into the Evidence Library database for modeling purposes. The process of collating and reviewing the Evidence Library revealed numerous errors in the dataset that had to be corrected through iterative changes. Several error types emerged during this process and can be broken into specific classifications defined as “input”, “transcription”, “structural”, “branching”, and “information”. In reviewing these error types through the root cause analysis (RCA) approach, we were able to identify the contributors to these errors which included single data review points, changing product end goals, limited software selection, time constraints and several others. By reviewing and evaluating the underlying causes we can provide possible system improvements that can be implemented for current and future data management in PRA model inputs.

A. Anderson↗

Rapid Optimization Library

ROL provides interfaces to and implementations of algorithms for gradient-based unconstrained and constrained optimization. ROL can be used to optimize the response of any client simulation code that evaluates scalar-valued response functions. If the client code can provide gradient information for the response function, ROL will take advantage of it, resulting in faster runtimes. ROL's interfaces are matrix-free, in other words ROL only uses evaluations of scalar-valued and vector-valued functions. ROL can be used to solve optimal design problems and inverse problems based on a variety of simulation software.

Denis Rldzal, Drew Kouri↗

Implementation of Charged Particle Behavior in Discrete Element Method (DEM) Simulations

Lunar landers will agitate the surface of the Moon with an exhaust plume during descent which will, due to the particulate nature of the lunar regolith, loosen and eject grains from the surface. This ejection is not only coupled with the charged plume gas, but also results in significant particle-particle interactions. Settling of these grains after plume effects have subsided takes much longer than expected in a ballistic trajectory. The prevailing hypothesis attributes this behavior to the accumulated charge on the particles. We are thus developing a discrete element method (DEM) approach to explore these charged particle interactions on the lunar surface. The Large-scale Atomic/Molecular Massively Parallel Simulator (LAMMPS) Improved for General Granular and Granular Heat Transfer Simulations (LIGGGHTS) software package provides a DEM modeling framework for granular interactions. It includes many complexities such as non-spherical particle shapes, cohesion and frictional forces, and heat transfer, but has no provision for inter-particle electrostatic forces and charge transfer that are important to examine in the lunar environment. In this work, a standard Coulomb potential and a Yukawa potential are integrated into the LIGGGHTS framework to provide a basis for particle-particle electrostatic interactions, as well as a gravitational potential to enable inter-grain gravitational interactions. A preliminary approach to charge transfer between grains incorporating properties such as work function and electrical conductivity to the library of available material characteristics will be presented. Several scenarios have been simulated that include charged particle interactions within a diffuse granular gas, settling of charged grains into a regolith bed, sliding of granular material along an incline, and vibration of settled grains to produce a behavior similar to fluidization. There are numerous challenges to incorporate realistic interactions between complex lunar particles. Currently, grains are modeled to behave as if the entirety of the charge acts at the center of mass, such as conductors with spherical symmetry and insulators with homogeneously distributed charge. We are developing improvements that will include the use of non-spherical particle geometries, as well as reasonable approximations of insulating/dielectric materials that have non-uniform charge distributions. The cases simulated thus far will be examined in a relevant environment within a vacuum chamber to validate the simulations. These simulations will be bounded by experiments utilizing high-speed camera observations of the motion for validation. The grains in the experiment will exchange charge during their motion and this can be quantified by collection within a charge measurement device such as a Faraday cup. Such a device may be modeled within the software by defining an integration region and computing the contained charge as a function of simulation time, allowing for side-by-side comparison of simulated and measured bulk charging results. Any differences will be reconciled by updating the mathematical mechanisms described within the simulation suite. Successfully combining results from experiments within a relevant environment into the LIGGGHTS framework will improve modeling of the charged grain dynamics experienced on the Moon to provide insights into dust behavior for future lunar exploration missions.

Electrostatics↗

The deal.II library, Version 9.3

This paper provides an overview of the new features of the finite element library deal.II, version 9.3.

97 MATHEMATICS AND COMPUTING↗

Software For Numerically Controlled Machining

APT (Automatically Programmable Tools) system represents an adaptation, with enhancements, of public-domain version of APT IV/SSX8 to DEC VAX-11/780 computer for use by Engineering Services Division of NASA Goddard Space Flight Center. Enhancements include super pocket feature, which allows concave polygon pockets. Recent modifications include expansion of sizes of arrays and buffers to accommodate larger part programs, insertion of user-friendly error messages, and correction of programming errors that affect POCKET command and some of sculptured-surface commands (notably SSURF and SCURV). Consists of four components: translator, execution complex, subroutine library, and CL editor. Written in FORTRAN 77.

Premo, D. A.↗

Memory forensic analysis of a programmable logic controller in industrial control systems

In industrial control systems (ICS), programmable logic controllers (PLCs) are used to automate physical processes such as nuclear plants and power grid stations, and are often subject to cyber attacks. As in conventional IT domain, the memory analysis of the PLCs can help answer important forensic questions about the attack, such as the presence of malicious firmware, injection of modified control logic (the program running on the PLC), and manipulation of I/O devices (e.g., sensors and actuators). Unlike conventional IT domain, PLCs have heterogeneous hardware architecture, proprietary firmware and control software, making it challenging to employ a unified framework for their memory forensics. For merely extracting artifacts of forensic importance, reverse-engineering the firmware is a tedious task, and the effort needs to be repeated for every PLC model. As a community, a step-wise approach to tackle this challenge is to analyze the memory of specific PLCs, and subsequently find a generic framework applicable to all PLCs. Our work is a step forward in this direction. By following a methodology that focuses on the functional layer of PLCs instead of reverse engineering the firmware, we analyze the digital forensic artifacts available in a common PLC, Allen-Bradley ControlLogix 1756-L61. Before diving into the memory dump, we analyze the PLC control software to create a list of important artifacts that are sure to exist in the PLC memory dump. The approach employs a setup where PLC control software RSLogix-5000 is connected to the PLC, and the memory dump can be obtained as and when needed. We create test cases that sequentially highlight each category of artifacts, followed by an examination of the resultant impact on memory. After attaining the listed artifacts, we employ conventional string and known data searches to extract interesting information present in this PLC's memory. The memory analysis profile, presented as a Python library and shared with the community, can help a forensic investigator to readily extract forensic artifacts from the same model's controller. The adopted approach may help researchers in creating memory profile of other PLCs, and ultimately formulating a generic PLC memory analysis framework.

Rais, Muhammad Haris↗

Computational Modeling of a 3D Printed Recuperator and Subsequent Experimental Loop for Supercritical Carbon Dioxide Cycles

Oak Ridge National Laboratory (ORNL), in collaboration with mechanical-thermal energy storage (mTES) provider EarthEn, a US Department of Energy (DOE) Lab-Embedded Entrepreneurship Program (LEEP) recipient at ORNL’s Innovation Crossroads 2023, is utilizing a state-of-the-art patented 3D printing technique to design an additively manufactured (AM) supercritical CO2 (sCO2) recuperator (REC) for EarthEn’s charge/discharge cycle. The AM REC will be printed at ORNL’s Manufacturing Demonstration Facility using Inconel Alloy 718 and tested on a closed-loop, ∼100 kW scale experimental facility that is under construction. The testing will compare the printed design against a commercial-off-the-shelf Printed Circuit Heat Exchanger (PCHE) REC. The design of the sCO2 facility is guided by a Modelica-based system model which is primarily dependent on the open-source TRANSFORM library developed at ORNL and uses the open-source CoolProp library for thermophysical properties of sCO2 via the External Media library. It is envisioned that an iterative process will be followed between the physical loop and the system model wherein the initial experimental data will be used to tune the model, which in turn will be used to guide future loop operation. Simultaneously, the AM REC is being designed using computer-aided design models, and it is also being analyzed for hydraulic and thermomechanical response using commercial computational fluid dynamics software, Simcenter STAR-CCM+, on highperformance computing resources.1

See, Nate [ORNL] (ORCID:0000000178581202)↗