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At least 865 records · Page 48

Transport of Highly Volatile Gases Related to Noble Gases and Tritium in the MSRE

This study aims to comprehend mass transfer in the closed-loop circulation of highly volatile gases, including noble gases and tritium. We explore the impact of steady-state xenon-135 and tritium on the MSRE and reveal their isotopic distributions using online noble gas stripping of fuel salts. The MSRE was engineered to extract fission product gases from fuel salts and efficiently eliminate inert gases with the help of helium bubbles within a circulating fuel pump. These reactors introduce significant theoretical challenges in estimating interfacial area and mass transfer coefficients, crucial for modeling mass transfer processes. An essential component of our analysis is the mass transfer coefficient. These coefficients are important for understanding how radionuclides move during various phase transitions within a nuclear reactor. Xenon-135 and tritium are found in both liquid and gas phases within the reactor system. In the liquid phase, they dissolve in molten salts, while in the gas phase, they manifest as bubbles. These elements have significant adverse effects on reactor operation due to their strong neutron absorption properties, influencing both safety and performance. The Mole code, which predicts the behavior of chemical species under steady-state conditions, facilitates multiphysics coupling with Griffin to update species distributions and address inherent MSR safety.

Lee, Kyoung↗

Creating a Universal PV Plug and Socket Standard

Photovoltaic connectors are designed to be quick and easy to install. Current connector qualification standards, such as UL 6703 and IEC 62852, are only intended to evaluate connectors from the same manufacturer and were recently changed to explicitly proscribe the mating of connectors from different manufacturers. Unfortunately, the industry has chosen to design connectors that will commonly connect together with those from other manufacturers. This is done to simplify installation avoiding the situations such as when the connectors on a microinverter, or other module level power electronics, do not match the connectors on the modules in the system. This rampant violation of electrical codes worldwide indicates that there is a strong desire and need to develop a universal connector standard. Here we present the initial approach and philosophy behind the formation of an IEC subgroup under TC82 WG2 looking at this problem. We intend to develop a standard where the materials and geometry of construction are specified to ensure compatibility and the design is intended to be of the highest quality. We expect that this connector will be more costly but especially in rooftop installations where power electronics requires matching components from several manufacturers, that this may still result in a net cost savings. These connectors must be of the highest quality because we wouldn’t want to develop a connector that precluded the manufacturing of a higher quality product, and because these will most commonly be used on rooftop installations where safety is more of a concern. Additionally, because we do not know which brands of connectors will be used together, we cannot simply rely on test results to ensure safety but must create a design that is as inherently safe as possible.

connectors↗

Thermonuclear 28 P(p, γ ) 29 S reaction rate and astrophysical implication in ONe nova explosion

An accurate 28 P(p, γ) 29 S reaction rate is crucial to defining the nucleosynthesis products of explosive hydrogen burning in ONe novae. Using the recently released nuclear mass of 29 S, together with a shell model and a direct capture calculation, we reanalyzed the 28 P(p, γ) 29 S thermonuclear reaction rate and its astrophysical implication. We focus on improving the astrophysical rate for 28 P(p, γ) 29 S based on the newest nuclear mass data. Our goal is to explore the impact of the new rate and associated uncertainties on the nova nucleosynthesis. We evaluated this reaction rate via the sum of the isolated resonance contribution instead of the previously used Hauser-Feshbach statistical model. The corresponding rate uncertainty at different energies was derived using a Monte Carlo method. Nova nucleosynthesis is computed with the 1D hydrodynamic code SHIVA. The contribution from the capture on the first excited state at 105.64 keV in 28 P is taken into account for the first time. We find that the capture rate on the first excited state in 28 P is up to more than 12 times larger than the ground-state capture rate in the temperature region of 2.5 × 10 7 K to 4 × 10 8 K, resulting in the total 28 P(p, γ) 29 S reaction rate being enhanced by a factor of up to 1.4 at ~1 × 10 9 K. In addition, the rate uncertainty has been quantified for the first time. It is found that the new rate is smaller than the previous statistical model rates, but it still agrees with them within uncertainties for nova temperatures. The statistical model appears to be roughly valid for the rate estimation of this reaction in the nova nucleosynthesis scenario. Using the 1D hydrodynamic code SHIVA, we performed the nucleosynthesis calculations in a nova explosion to investigate the impact of the new rates of 28 P(p, γ) 29 S. Our calculations show that the nova abundance pattern is only marginally affected if we use our new rates with respect to the same simulations but statistical model rates. Finally, the isotopes whose abundance is most influenced by the present 28 P(p, γ) 29 S uncertainty are 28 Si, 33,34 S, 35,37 Cl, and 36 Ar, with relative abundance changes at the level of only 3% to 4%.

Astronomy & Astrophysics↗

Fatty Acid and Alcohol Metabolism in Pseudomonas putida: Functional Analysis Using Random Barcode Transposon Sequencing.

With its ability to catabolize a wide variety of carbon sources and a growing engineering toolkit, Pseudomonas putida KT2440 is emerging as an important chassis organism for metabolic engineering. Despite advances in our understanding of the organism, many gaps remain in our knowledge of the genetic basis of its metabolic capabilities. The gaps are particularly noticeable in our understanding of both fatty acid and alcohol catabolism, where many paralogs putatively coding for similar enzymes coexist, making biochemical assignment via sequence homology difficult. To rapidly assign function to the enzymes responsible for these metabolisms, we leveraged random barcode transposon sequencing (RB-Tn-Seq). Global fitness analyses of transposon libraries grown on 13 fatty acids and 10 alcohols produced strong phenotypes for hundreds of genes. Fitness data from mutant pools grown on fatty acids of varying chain lengths indicated specific enzyme substrate preferences and enabled us to hypothesize that DUF1302/DUF1329 family proteins potentially function as esterases. From the data, we also postulate catabolic routes for the two biogasoline molecules isoprenol and isopentanol, which are catabolized via leucine metabolism after initial oxidation and activation with coenzyme A (CoA). Because fatty acids and alcohols may serve as both feedstocks and final products of metabolic-engineering efforts, the fitness data presented here will help guide future genomic modifications toward higher titers, rates, and yields. IMPORTANCE To engineer novel metabolic pathways into P. putida , a comprehensive understanding of the genetic basis of its versatile metabolism is essential. Here, we provide functional evidence for the putative roles of hundreds of genes involved in the fatty acid and alcohol metabolism of the bacterium. These data provide a framework facilitating precise genetic changes to prevent product degradation and to channel the flux of specific pathway intermediates as desired.

59 BASIC BIOLOGICAL SCIENCES↗

Development of mechanistic, microstructure-informed BISON models for fission product-induced failure mechanisms in advanced nuclear fuels

The US continues to prioritize commercial deployment of advanced reactors—particularly those utilizing U-Zr metallic and TRISO particle fuels. Fission product-induced failure mechanisms for these systems include fuel–cladding chemical interaction in metallic fuel rods, which threatens cladding integrity, and Pd penetration in TRISO particles, which degrades SiC layer properties. Empirical models can be applied within the bounds of existing irradiation databases, but their utility is limited when considering new designs or investigating fundamental material behaviors. The Nuclear Energy Advanced Modeling and Simulation Program is therefore developing mechanistic models for these behaviors, which are expected to aid in fuel design, assist in development of failure mitigation strategies, and provide support for qualification and licensing. These efforts leverage multiscale capabilities to capture the microstructural features and processes that govern these behaviors. This talk summarizes past and ongoing efforts to develop and validate these models for the BISON fuel performance code.

FCCI↗

Calculated covariance matrices for fission product yields using BeoH

Fission product yields (FPY) are important for a variety of applications (reactor neutronics, spent fuel, dosimetry, radiochemistry, etc.) and are currently included in many of the evaluated libraries around the world. The FPYs in the current US evaluation, ENDF/B-VIII.0, are mainly based on the 1994 evaluation of England and Rider and have only had slight updates—such as the inclusion of a 2 MeV point for 239 Pu—since their development. Additionally, only mean values and uncertainties are included in the evaluation, not full correlations. Los Alamos National Laboratory, in collaboration with several other institutes, has been working on an updated evaluation for the FPYs of 239 Pu(n,f), 235 U(n,f), 238 U(n,f), and 252 Cf(sf) using the deterministic, Hauser-Feshbach, fission fragment decay code, BeoH. BeoH calculates the FPYs consistently with many other prompt and delayed fission observables, explicitly taking into account multi-chance fission and ensuring consistency between observables. In addition to providing updated means and uncertainties for the FPYs on a pointwise energy grid from thermal to 20 MeV, we calculate correlations between all FPYs at each incident energy and across incident energies. Here, we discuss the development of these covariance matrices, differences in the correlations between FPYs based on the parameters that are included in the model optimization, and correlations across incident energies for neutron-induced fission.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

The ABACUS cosmological N -body code

We present abacus, a fast and accurate cosmological N-body code based on a new method for calculating the gravitational potential from a static multipole mesh. The method analytically separates the near- and far-field forces, reducing the former to direct 1/r 2 summation and the latter to a discrete convolution over multipoles. The method achieves 70 million particle updates per second per node of the Summit supercomputer, while maintaining a median fractional force error of 10 -5 . We express the simulation time-step as an event-driven ‘pipeline’, incorporating asynchronous events such as completion of co-processor work, input/output, and network communication. abacus has been used to produce the largest suite of N-body simulations to date, the abacussummit suite of 60 trillion particles, incorporating on-the-fly halo finding. abacus enables the production of mock catalogues of the volume and resolution required by the coming generation of cosmological surveys.

79 ASTRONOMY AND ASTROPHYSICS↗

SPANet: Generalized permutationless set assignment for particle physics using symmetry preserving attention

The creation of unstable heavy particles at the Large Hadron Collider is the most direct way to address some of the deepest open questions in physics. Collisions typically produce variable-size sets of observed particles which have inherent ambiguities complicating the assignment of observed particles to the decay products of the heavy particles. Current strategies for tackling these challenges in the physics community ignore the physical symmetries of the decay products and consider all possible assignment permutations and do not scale to complex configurations. Attention based deep learning methods for sequence modelling have achieved state-of-the-art performance in natural language processing, but they lack built-in mechanisms to deal with the unique symmetries found in physical set-assignment problems. We introduce a novel method for constructing symmetry-preserving attention networks which reflect the problem's natural invariances to efficiently find assignments without evaluating all permutations. This general approach is applicable to arbitrarily complex configurations and significantly outperforms current methods, improving reconstruction efficiency between 19% - 35% on typical benchmark problems while decreasing inference time by two to five orders of magnitude on the most complex events, making many important and previously intractable cases tractable. A full code repository containing a general library, the specific configuration used, and a complete dataset release, are available at https://github.com/Alexanders101/SPANet

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Ka-Band ARM Zenith Radar Corrections (KAZRCOR, KAZRCFRCOR) Value-Added Products

The KAZRCOR Value -added Product (VAP) performs several corrections to the ingested KAZR moments and also creates a significant detection mask for each radar mode. The VAP computes gaseous attenuation as a function of time and radial distance from the radar antenna, based on ambient meteorological observations, and corrects observed reflectivities for that effect. KAZRCOR also dealiases mean Doppler velocities to correct velocities whose magnitudes exceed the radar’s Nyquist velocity. Input KAZR data fields are passed through into the KAZRCOR output files, in their native time and range coordinates. Complementary corrected reflectivity and velocity fields are provided, along with a mask of significant detections and a number of data quality flags. This report covers the KAZRCOR VAP as applied to the original KAZR radars and the upgraded KAZR2 radars. Currently there are two separate code bases for the different radar versions, but once KAZR and KAZR2 data formats are harmonized, only a single code base will be required.

54 ENVIRONMENTAL SCIENCES↗

Demonstrating UPC++/Kokkos Interoperability in a Heat Conduction Simulation (Extended Abstract)

We describe the replacement of MPI with UPC++ in an existing Kokkos code that simulates heat conduction within a rectangular 3D object, as well as an analysis of the new code’s performance on CUDA accelerators. The key challenges were packing the halos in Kokkos data structures in a way that allowed for UPC++ remote memory access, and streamlining synchronization costs. Additional UPC++ abstractions used included global pointers, distributed objects, remote procedure calls, and futures. We also make use of the device allocator concept to facilitate data management in memory with unique properties, such as GPUs. Our results demonstrate that despite the algorithm’s good semantic match to message passing abstractions, straightforward modifications to use UPC++ communication deliver vastly improved performance and scalability in the common case. We find the one-sided UPC++ version written in a natural way exhibits good performance, whereas the message-passing version written in a straightforward way exhibits performance anomalies. We argue this represents a productivity benefit for one-sided communication models.

Waters, Daniel↗

AGR-5/6/7 Irradiation As Run Predictions Using PARFUME

The PARticle FUel ModEl (PARFUME), a fuel performance modeling code used for high-temperature gas-cooled reactors, was used to model the Advanced Gas Reactor (AGR)-5/6/7 irradiation test using as-run physics and thermal data. The AGR-5/6/7 irradiation test consists of the combined fifth, sixth, and seventh planned irradiations of the AGR Fuel Development and Qualification Program. The AGR-5/6/7 test train is a multi-capsule, instrumented experiment that is designed for irradiation in the 133.4-mm diameter northeast flux trap position of the Advanced Test Reactor (ATR) at Idaho National Laboratory. Each capsule contains compacts filled with uranium oxycarbide unaltered fuel particles. This report documents the calculations performed to predict the failure probability of tristructural isotropic (TRISO)-coated fuel particles during the AGR-5/6/7 experiment. In addition, this report documents the calculated fission product release fraction from the fuel. The calculations include modeling of the AGR 5/6/7 irradiation that occurred from February 2018 to July 2020 over nine ATR cycles, including six normal cycles and three power axial locator mechanism cycles, for a total of approximately 376 effective full power days (EFPD). The irradiation conditions and material properties of the AGR-5/6/7 test predicted zero fuel particle failures in Capsules 1, 3, and 4. Fuel particle failures were predicted in two of the compacts in Capsule 2 and one particle failure is predicted in each one of the compacts in Capsule 5. All compacts that exhibited fuel particle failures predicted by PARFUME were caused by localized stress concentrations in the silicon carbide (SiC) layer caused by cracking in the inner pyrolytic (IPyC) layer. In addition, shrinkage of the buffer and IPyC layer during irradiation resulted in formation of a buffer-IPyC gap. Compacts with a lower irradiation temperature and fluence experienced the smallest buffer-IPyC gap formation. Conversely, higher irradiated temperature compacts with a high fluence experienced the largest buffer-IPyC gap formation. Compact 3-6-3 experienced the largest buffer IPyC gap formation of just under 21.7 µm. The release fraction of fission products silver (Ag), cesium (Cs), and strontium (Sr) vary depending on capsule location and irradiation temperature. The maximum release fraction of Ag occurs in Capsule 3, reaching up to 59.5% for the TRISO fuel particles (compact 3-6-3). The release fraction of the other two fission products, Cs and Sr, are much smaller. A maximum Cs release fraction of 1.1% occurred in compact 3-4-3 and 4.4% for Sr in compact 3-6-3.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Probing the antiknock effect of anisole through an ignition, speciation and modeling study of its blends with isooctane

In order to unravel the reaction pathways relevant to anisole co-oxidation within a fuel blend, a detailed study of isooctane/anisole blends was performed with the ULille RCM. Ignition delays as well as mole fraction profiles were measured during a two-stage ignition delay using sampling and GC techniques. These results are used to validate a kinetic model developed from ab initio calculations for the most relevant rate constants which included H-atom abstraction reactions from anisole, and reactions on the potential energy surfaces of methoxyphenyl + O 2 and anisyl + O 2 . Pressure dependent rate constants were computed for the methoxyphenyl + O 2 and anisyl + O 2 reactive systems using master equation code analysis. The new kinetic model shows good agreement with the experimental data. Dual brute-force sensitivity analysis was performed, on both first- and second-stages of ignition, allowing the identification of the most important reactions in the prediction of both ignition delays. It was observed that while pure anisole does not show NTC behavior, a 60/40 isooctane/anisole blend displays such behavior, as well as two-stage ignition. This suggests anisole addition may not be as beneficial to knock resistance as expected from its high octane number. The kinetic modeling results demonstrate the importance of H-abstraction reactions both from the methoxy group and from the aryl ring in ortho-position and the addition of the resultant radicals to O2, mostly leading to the formation of polar or non-aromatic products.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Ka-Band ARM Zenith Radar Corrections (KAZRCOR, KAZRCFRCOR) Value-Added Products

The Ka-Band Atmospheric Radiation Measurement (ARM) Zenith Radar Corrections (KAZRCOR) and KA-Band ARM Zenith Radar CF-Radial, Corrected (KAZRCFRCOR) value-added products (VAPs) perform several corrections to the ingested KAZR moments and also create a significant detection mask for each radar mode. The VAPs compute gaseous attenuation as a function of time and radial distance from the radar antenna, based on ambient meteorological observations, and correct observed reflectivities for that effect. Mean Doppler velocities are dealiased to correct velocities whose magnitudes exceed the radar’s Nyquist velocity. Input KAZR data fields are passed through to the KAZRCOR or KAZRCFRCOR output files, in their native time and range coordinates. Complementary corrected reflectivity and velocity fields are provided, along with a mask of significant detections and a number of data quality flags. This report covers the KAZRCOR VAP as applied to the original KAZR radars and the upgraded KAZR2 radars. Originally, prior to late 2019, there were two separate code bases for the different radar versions. Following the harmonization of KAZR and KAZR2 data formats in 2019, only a single code base is required. The new combined KAZR and KAZR2 code base is called the KAZRCFRCOR VAP. The ‘cfr portion of the VAP name refers to the Radial Climate and Forecasting data format standards that are used in these data sets. Throughout this report, references to ‘KAZRCOR’ should be taken to apply to the ‘KAZRCFRCOR’ VAP as well unless there is an explicit statement to the contrary.

54 ENVIRONMENTAL SCIENCES↗

Study of Energy Saving Analysis for Different Industries

This study analyzes the energy consumption and saving performance in the industries in the U.S.A. All energy assessments implemented were for facilities whose annual energy consumptions were less than 9,000,000 kWh (small- and medium-sized industries) that belong to the manufacturing industries with Standard Industrial Classification (SIC) codes ranging from 2000 to 3999 in addition to SIC codes starting with 49. In this study, assessments are classified based on the SIC codes with recommendations analysis for each classification to get a better idea of what recommendations were suggested in each major industrial sector, knowing that 68 assessments were made, and their SIC ranged from 14 to 49. In addition, this study could be considered as a guide for energy engineers and other personnel involved in the energy assessment process. The information investigated can give a better prediction for composing better energy-demanding industries and minimizing energy consumption. More than 61 energy assessments were conducted for manufacturing facilities and analyzing the data gathered and processed. Through the research, the Fabricated Metal industry achieved the highest average kWh savings and cost savings within the industries studied in this study. According to the average gigajoule (GJ) savings, the fabricated metal industry ranked second within the studied industries. Conversely, Food and Kindred Products achieved the highest GJ energy savings within the studied industries. Overall, lighting, motors, compressors, and heating, ventilation, and air conditioning (HVAC) were the most contributing industries in a total of 547 recommendations.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

Kinetic Model of Photochemical Nitrogen Reduction [SWR-25-97]

The code in this repository was used to model the kinetics of photochemical nitrogen reduction. Each directory represents a manuscript. The directory titled Dahl_CRPS_2025 contains the code used to fit the kinetic models presented in the manuscript titled, "Pre-steady-state kinetics of nanocrystal:molybdenum nitrogenase biohybrids reveals hole-scavenging efficiency is critical to achieving N2 reduction" by Peter J. Dahl, Lauren M. Pellows, Zhi-Yong Yang, Lance C. Seefeldt, John W. Peters, Gordana Dukovic, David W. Mulder, and Paul W. King. Molybdenum (Mo) nitrogenase is a two-component enzyme complex that catalyzes the reduction of dinitrogen to ammonia and protons to hydrogen gas. We have shown that electrons for dinitrogen reduction can be delivered photochemically to the catalytic MoFe protein component by CdS nanocrystals. In this study, we used electron paramagnetic resonance spectroscopy to measure the transient populations of catalytic intermediates. We fit the populations with a pre-steady-state kinetic model which allowed us to distinguish between productive and non-productive reaction pathways and extract the rate constants for the reaction. Our results demonstrated that the rate of catalytic electron delivery into MoFe protein increased with the concentration of sacrificial electron donor. This enabled electron delivery to exceed the rate of hydride protonation, a relaxation pathway which competes with N2 binding. Thus, managing the balance between electron transfer and hole transfer reactions is required to achieve a kinetic regime that favors N2 reduction.

Dahl, Peter [National Renewable Energy Laboratory ↗

Impact of Systematic Modeling Uncertainties on Kilonova Property Estimation

The precise atomic structure and therefore the wavelength-dependent opacities of lanthanides are highly uncertain. This uncertainty introduces systematic errors in modeling transients like kilonovae and estimating key properties such as mass, characteristic velocity, and heavy metal content. Here, we quantify how atomic data from across the literature as well as choices of thermalization efficiency of r-process radioactive decay heating impact the light curve and spectra of kilonovae. Specifically, we analyze the spectra of a grid of models produced by the radiative transfer code Sedona that span the expected range of kilonova properties to identify regions with the highest systematic uncertainty. Our findings indicate that differences in atomic data have a substantial impact on estimates of lanthanide mass fraction, spanning approximately 1 order of magnitude for lanthanide-rich ejecta, and demonstrate the difficulty in precisely measuring the lanthanide fraction in lanthanide-poor ejecta. Mass estimates vary typically by 25%–40% for differing atomic data. Similarly, the choice of thermalization efficiency can affect mass estimates by 20%–50%. Observational properties such as color and decay rate are highly model dependent. Velocity estimation, when fitting solely based on the light curve, can have a typical error of ∼100%. Atomic data of light r-process elements can strongly affect blue emission. Even for well-observed events like GW170817, the total lanthanide production estimated using different atomic data sets can vary by a factor of ∼6.

Gravitational wave sources↗

Farpoint: A High-resolution Cosmology Simulation at the Gigaparsec Scale

Abstract In this paper we introduce the Farpoint simulation, the latest member of the Hardware/Hybrid Accelerated Cosmology Code (HACC) gravity-only simulation family. The domain covers a volume of (1000 h −1 Mpc) 3 and evolves close to two trillion particles, corresponding to a mass resolution of m p ∼ 4.6 × 10 7 h −1 M ⊙ . These specifications enable comprehensive investigations of the galaxy–halo connection, capturing halos down to small masses. Further, the large volume resolves scales typical of modern surveys with good statistical coverage of high-mass halos. The simulation was carried out on the GPU-accelerated system Summit, one of the fastest supercomputers currently available. We provide specifics about the Farpoint run and present an initial set of results. The high mass resolution facilitates precise measurements of important global statistics, such as the halo concentration–mass relation and the correlation function down to small scales. Selected subsets of the simulation data products are publicly available via the HACC Simulation Data Portal.

79 ASTRONOMY AND ASTROPHYSICS↗

SolarAPP+ Pilot Analysis: Performance and Impact of Instant, Online Solar Permitting

The National Renewable Energy Laboratory (NREL) led a collaborative effort to develop the Solar Automated Permit Processing Plus (SolarAPP+), a no-cost solar permitting software solution to address residential solar photovoltaic (PV) permitting resource constraints and streamline solar adoption processes among authorities having jurisdiction (AHJs). The SolarAPP+ is an online portal that automates permit plan review, enabling an instant permit approval process for code-compliant residential PV systems. Based on national model building, electrical, and fire codes, the SolarAPP+ automatically performs a compliance check of permit inputs against code requirements and produces an inspection checklist that can be used to verify installation practices, workmanship, and adherence to the approved design. NREL conducted a two-phase pilot with five participating AHJs and 16 solar contractors, spanning from November 2020 through December 2021, evaluating the ability of SolarAPP+ to deliver instant permits and its impact on four critical areas within each AHJ: permit review timelines; solar adoption timelines; AHJ time saved; and inspection results. The pilot confirmed that SolarAPP+ reduced permit review times to less than one day, reduced solar adoption timelines by an average of 12 days, saved an estimated 2,067 staff hours, and had comparable inspection results to those found in traditional permitting. The pilot further identified key lessons for improving SolarAPP+, including ways to streamline SolarAPP+ adoption, development of training resources, and expansion of supported products.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗