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DOE OSTI2024

Three-dimensional dispersion in the type-II Dirac semimetals PtTe 2 and PdTe 2 revealed through circular dichroism in angle-resolved photoemission spectroscopy

PtTe 2 and PdTe 2 are among the first transition metal dichalcogenides that were predicted to host type-II Dirac fermions, exotic particles prohibited in free space. These materials are layered and air stable, which makes them top candidates for technological applications that take advantage of their anisotropic magnetotransport properties. Here, in this work, we provide a detailed characterization of the electronic structure of PtTe 2 and PdTe 2 using angle-resolved photoemission spectroscopy (ARPES) and density functional theory calculations, offering an alternative interpretation for one of the Dirac-like dispersions in these materials. Through the use of circularly polarized light, we report a different behavior of such dispersion in PdTe 2 compared to PtTe 2 , that we relate to a symmetry analysis of the dipole matrix element. Such analysis reveals a link between the observed circular dichroism and the different momentum-dependent terms in the dispersion of these two compounds, despite their close similarity in crystal structure. Additionally, our data show a clear difference in the circular dichroic signal for the type-II Dirac cones characteristic of these materials, compared to their topologically protected surface states. Our paper provides a useful reference for the ARPES characterization of other transition metal dichalcogenides with topological properties and illustrates the use of circular dichroism as a guide to identify the topological character and attributes of two otherwise equivalent band dispersions.

angle-resolved photoemission spectroscopy↗

DOE OSTI2026

The MuFusE large-volume diamond anvil cell for exploring muon-catalyzed fusion at higher pressures and temperatures

A new large-volume diamond anvil cell (DAC) has been developed for the Muon-catalyzed Fusion (μCF) Experiment (MuFusE), enabling the compression and heating of deuterium–tritium (d–t) mixtures to pressures and temperatures needed to advance μCF research. The MuFusE DAC achieves the large sample volumes necessary for high-precision fusion measurements while integrating cryogenic loading, all-metal sealing, and flexible bellows to maintain a secure environment during cell compression. Combined with remote pneumatic actuation and secondary containment, the DAC safely managed a 25 Ci tritium inventory while providing a clear optical path for in situ measurements of sample pressure and composition via laser spectroscopy. Utilizing 5 mm diameter diamond anvils oriented in the path of a high-intensity muon beam, the apparatus achieved a stable sample volume of 19.2 mm 3 at liquid density, pressures up to 933 MPa and temperatures up to 400 K—benchmarks that significantly exceed previously reported limits for static d–t targets.

Kalow, J. D. [Acceleron Fusion, Inc., Cambridge, M↗

NASA NTRS2026

Hydrofluoroether (HFE) Cleaning Fluid Replacement and Qualification

This NASA Engineering and Safety Center (NESC) Technical Assessment Report addresses the urgent need to identify, test, and qualify replacement cleaning solvents and technologies following 3M’s decision to discontinue production of hydrofluoroether (HFE) products, including Novec HFE-7100, by the end of 2025. HFE-7100 is widely used across NASA for precision cleaning of ground and flight hardware, especially in oxygen system components, and as a heat transfer fluid in high-power-density thermal control systems. The assessment evaluates commercially available replacement solvents, alternative cleaning technologies, and their compatibility with NASA’s operational requirements. Key findings include the identification of viable solvent replacements, their performance in contaminant removal, materials compatibility, and oxygen system safety. The report also explores novel cleaning approaches, including aqueous, supercritical CO₂, cryogenic aerosol, plasma, UV-ozone, magnetically optimized fluids, and induced charge active filtration, highlighting their merits, limitations, and readiness for NASA adoption. The NESC provides recommendations for solvent selection, facility adaptation, and continued technology maturation to ensure mission continuity and regulatory compliance.

Alternative Cleaning Technologies↗

DOE OSTI2026

Improving the Performance of NEML2 with Modern Graph Compilation Backends

NEML2 vectorizes constitutive-model evaluation for large-scale multiphysics simulation, using PyTorch as its tensor backend so that a batch of material-point updates runs on CPU or GPU through a single implementation. In the two prior reports in this series it was a C++-native library, deployed through TorchScript tracing and just-in-time (JIT) compilation; it has since been rewritten from the ground up into a Python-native library deployed through Ahead-of-Time Inductor (AOTInductor), a modern PyTorch graph-compilation backend. The rewrite is driven by a persistent tension, not a language preference: NEML2 composes constitutive models at runtime from a registry of small, independently-authored pieces, and that flexibility is difficult to reconcile with the compile-time knowledge an efficient GPU kernel needs. This report documents the rewrite and the investment that accompanied it: the AOTInductor export pipeline that turns a Python-authored model into a portable, Python-free compiled artifact loadable from pure C++; the eager and compiled runtimes and the new implicit solver layer built on them; a head-to-head benchmark of legacy JIT against AOTInductor; the physics-model catalog and its worked examples; the developer tooling; and the corresponding overhaul of MOOSE’s NEML2 integration that lets MOOSE consume it. A central objective is to examine whether modern PyTorch graph-compilation backends are effective for MOOSE GPU integration. The benchmark answers directly: AOTInductor outperforms legacy JIT on every GPU scenario measured, by 1.0–4.5×. Modern graph-compilation backends are effective for MOOSE GPU integration, and AOTInductor specifically – not compilation in the abstract – is why.

Hu, Gary (Tianchen) [Argonne National Laboratory (↗

DOE OSTI2026

Impact of the Annealing Temperature on the Local Se Distribution and Optical Properties in CdSexTe1-x Solar Cells by Multimodal X-ray Microscopy

The introduction of Se in CdTe solar-cell absorbers has led to multiple beneficial effects in the devices, including an increased short-circuit current and an extended charge-carrier lifetime. A critical manufacturing step of CdSexTe1-x solar cells is CdCl2 annealing at high temperatures, during which Se diffuses through the absorber layer. Understanding the local Se distribution in the absorber and its impact on optical properties of the material is key for the further development of this thin-film solar cell technology. In a multimodal x-ray scanning microscopy approach, we investigated the impact of the annealing temperature of CdSexTe1-x solar cells on the Se distribution and on optical characteristics of the material. For this purpose, we exploited an upgraded x-ray excited optical luminescence (XEOL) detection unit that enables simultaneous spectrally and temporally resolved XEOL mapping at synchrotron facilities that are ideal for studying thin-film solar-cell materials with hard x-rays featuring high penetration depth and lateral resolution.

14 SOLAR ENERGY↗

DOE OSTI2025

Wide-Bandgap Semiconductor Amplifiers for Fusion Plasma Heating and Control

This paper discusses power electronics developed under the ARPA-E GAMOW program to support nuclear fusion power production. The goal of this project was to develop and assess the potential for wide-bandgap (WBG) semiconductor devices in power electronics to enable high-efficiency and high-voltage solid-state systems for fusion plasma generation, heating, and control. The power electronics use an architecture in which multiple high-power boards can be combined to produce megawatt-level power, where using multiple boards provides high reliability. Two main areas of power electronics boards are developed in this project for fusion plasma heating and control applications: (1) pulse generation and control and (2) radiofrequency generation. The first area is for boards capable of driving high-voltage millisecond pulses at high duty cycles. The envisioned application of these pulses is in plasma control of magnetohydrodynamic instabilities, plasma position, and edge-localized modes. Pulse-width modulation allows for the implementation of a wide variety of linear and nonlinear control systems. The boards developed for this project could actuate control coils based on digital input signals and can be parallelized to provide megawatts of output power. The design of the pulse generator is a low-side load switch. A load switch was designed and constructed that utilized 2-kV-rated field-effect transistor (FET)-based cascodes developed by Qorvo under this project to perform initial testing of these cascodes. The second area is being implemented using class E amplifiers with WBG devices and a reactance steering network to handle inductive or capacitive plasma loads. Applications include ion cyclotron resonance heating (ICRH) and high-harmonic fast-wave (HHFW) heating. A class E reactance steering network is demonstrated in modeling and experiment with a resistive-inductive load that models an inductively-coupled plasma. Power combining of boards with class E reactance steering networks is also simulated and demonstrated experimentally, to enable scaling up to high power. Modeling of high-power-density cooling and remaining useful life is conducted to enable reliable, effectively cooled high-power electronics for fusion applications.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

NASA NTRSDate not supplied

Assembly and Integration Status of a High Fidelity Ground Test Bed for the Water Processor Assembly

The Water Recovery System (WRS) is a critical component of life support aboard the International Space Station (ISS) and will play an essential role in future missions beyond Low Earth Orbit (LEO). Its primary functional units – the Urine Processor Assembly (UPA), Brine Processor Assembly (BPA), and Water Processor Assembly (WPA) – must be evaluated for extended operation, dormancy resilience, material obsolescence, and reliability under exploration-driven constraints. Ground testing is vital for developing these technologies and generating statistically relevant reliability assessments, which requires extended runtime under integrated, Flight-like conditions. Currently, no high-fidelity, fully integrated WPA ground test bed exists to support these objectives. To address this gap, NASA is developing a WPA test bed at Marshall Space Flight Center (MSFC) that combines downgraded ISS flight hardware with functionally flight-like components in a cost-effective configuration while maintaining priority hardware investigations. This paper describes the current status of hardware assembly and integration, outlines key challenges such as simulating microgravity effects and mitigating obsolescence, and presents future test objectives including software development, reliability assessments, dormancy studies, and exploration-oriented upgrades.

Mary-Elizabeth Davis↗

DOE OSTI2026

Tetrel Bond-Mediated Photophysical Modulation and Fluoride Recognition in Carbazole-Organosilanes

Silicon-centered orbitals are typically regarded as electronically inert in donor–acceptor systems. Here, we show that silole-based carbazole–silane architectures can render these orbitals electronically relevant, enabling modulation of excited-state behavior and anion-responsive photophysics. Two carbazole–Dipp–silanes exhibit identical carbazole-localized LE singlet emission in solution yet diverge markedly in the solid state: one compound displays a broad long-wavelength emission band in the prompt spectrum and enhanced long-lived emission consistent with a triplet-derived excited state, likely arising from a combination of intramolecular structural locking and solid-state packing effects, whereas the more flexible analogue remains predominantly LE-emissive. Fluoride coordination further differentiates the two systems, producing ratiometric red-shifted emission in one case and fluorescence quenching in the other through a fully reversible coordination process. These results identify σ*(Si–Ar) orbitals as tunable contributors to excited-state landscapes in organosilane luminophores and suggest a broader design strategy for controlling excited-state behavior in tetrel-based photofunctional systems.

Haque, Md Hasanul↗

DOE OSTI2026

The high-valent vanadium chemistry of isoindoline chelates

Isoindoline-based chelates, in particular bis(arylimino)isoindolines, have shown extensive metal binding chemistry. Although this chemistry has been explored for the middle and late transition metal ions, little work has been carried out on early transition metal complexes. In this article, we present the first examples of vanadium coordinated using four bis(arylimino)isoindolines, in which the aryl groups are pyrazole, indazole, benzimidazole, and pyridine (ligands 1–4 , respectively). We isolated five complexes using vanadyl sulfate or vanadyl acetylacetonate as the vanadium source. In all cases, the ligands bound in a meridional mode, and for four of the complexes, the vanadium ion was observed in the V(v) oxidation state. Three of the ligands ( 1–3 ) formed VO 2 complexes with vanadyl sulfate and vanadyl acetylacetonate, but the bis(pyridylimino)isoindoline (ligand 4 ) formed a V(v) oxosulfonato complex with the former starting material and a vanadyl V(iv) acetylacetonate with the latter starting material. All metal compounds were structurally elucidated by X-ray crystallographic methods, and we probed their electronic structures using DFT methods.

Bore, Joan C. [Univ. of Akron, OH (United States)]↗

NASA NTRS2012

Returning an Entire Near-Earth Asteroid in Support of Human Exploration Beyond Low-Earth Orbit

This paper describes the results of a study into the feasibility of identifying, robotically capturing, and returning an entire Near-Earth Asteroid (NEA) to the vicinity of the Earth by the middle of the next decade. The feasibility of such an asteroid retrieval mission hinges on finding an overlap between the smallest NEAs that could be reasonably discovered and characterized and the largest NEAs that could be captured and transported in a reasonable flight time. This overlap appears to be centered on NEAs roughly 7 m in diameter corresponding to masses in the range of 250,000 kg to 1,000,000 kg. The study concluded that it would be possible to return a approx.500,000-kg NEA to high lunar orbit by around 2025. The feasibility is enabled by three key developments: the ability to discover and characterize an adequate number of sufficiently small near-Earth asteroids for capture and return; the ability to implement sufficiently powerful solar electric propulsion systems to enable transportation of the captured NEA; and the proposed human presence in cislunar space in the 2020s enabling exploration and exploitation of the returned NEA. Placing a 500-t asteroid in high lunar orbit would provide a unique, meaningful, and affordable destination for astronaut crews in the next decade. This disruptive capability would have a positive impact on a wide range of the nation's human space exploration interests. It would provide a high-value target in cislunar space that would require a human presence to take full advantage of this new resource. It would offer an affordable path to providing operational experience with astronauts working around and with a NEA that could feed forward to much longer duration human missions to larger NEAs in deep space. It represents a new synergy between robotic and human missions in which robotic spacecraft would retrieve significant quantities of valuable resources for exploitation by astronaut crews to enable human exploration farther out into the solar system. The capture, transportation, examination, and dissection of an entire NEA would provide valuable information for planetary defense activities that may someday have to deflect a much larger near-Earth object. Transportation of the NEA to lunar orbit with a total flight time of 6 to 10 years would be enabled by a ~40-kW solar electric propulsion system with a specific impulse of 3,000 s. The flight system could be launched to low-Earth orbit (LEO) on a single Atlas V-class launch vehicle, and return to lunar orbit a NEA with at least 28 times the mass launched to LEO. Longer flight times, higher power SEP systems, or a target asteroid in a particularly favorable orbit could increase the mass amplification factor from 28-to-1 to 70-to-1 or greater. The NASA GRC COMPASS team estimated the full life-cycle cost of an asteroid capture and return mission at approx.$2.6B.

asteroid mining↗

DOE OSTI2026

Microstructure prediction for Ti-22Al-25Nb in laser powder bed fusion

This work presents a physics-informed framework for predicting solidification morphology and defect susceptibility in additively manufactured Ti–22Al–25Nb across a broad processing space. The framework integrates solidification microstructure selection (SMS) analysis with a single-track defect-based printability map to establish a unified methodology linking processing parameters to both interfacial morphology and manufacturability. Thermal gradients G and solidification rates R are first computed using the Thermo-Calc Additive Manufacturing (TC-AM) module, a finite-interface-dissipation (FID) phase-field (PF) model coupled with CALPHAD method is then employed to systematically distinguish planar and dendritic regimes as functions of $G$ and $R$. By superimposing the printability map onto the morphology projections, a comprehensive process–structure framework is obtained. Across most processing conditions, the predicted microstructure is predominantly dendritic, while planar growth emerges only under selected laser power $P$ and scan speed $v$ combinations. In addition to morphology classification, the framework quantifies the dendritic area fraction and introduces a width-based morphology descriptor to characterize the spatial extent of planar/dendritic regions within the melt pool. It provides mechanistic insight into the interplay between solidification physics and defect formation, offering practical guidance for parameter selection and microstructural control in Ti–22Al–25Nb additive manufacturing (AM).

36 MATERIALS SCIENCE↗

DOE OSTI2025

Cooperative and bifunctional Ga-Ca-Cr 2 O 3 @CaO structured monoliths as versatile platform for reactive capture of CO 2 and its subsequent conversion to ethylene

Cooperative and bifunctional materials (BFMs) that integrate adsorbents and catalysts offer a promising strategy for the reactive capture of CO 2 to produce valuable fuels and chemicals. In this study, we developed structured BFMs via 3D printing that combine CaO as an adsorbent with Ga–Ca–Cr 2 O 3 metal oxides as the catalyst for the reactive capture of CO 2 and its subsequent conversion to C 2 H 4 via the oxidative dehydrogenation of C 2 H 6 (CO 2 -ODHE). Three different Ga–Ca compositions were used to modify the catalyst surface characteristics and enhance C 2 H 4 selectivity. In these formulations, Ga ions stabilize the oxygen lattice of the BFM, while Ca ions interact strongly with Cr to form CaCrO 4 , thereby altering the oxygen species and enhancing the material’s basic properties. Under adsorption–reaction conditions at 600–650 °C, the optimal BFM achieved an excellent C 2 H 4 selectivity of 96.4 %, attributed to a balanced redox process and improved basicity that facilitate efficient C 2 H 6 conversion and rapid desorption of C 2 H 4 without excessive oxidation. Overall, this work provides new insights into the formulation of BFMs monoliths and highlights the critical role of catalytic surface modification in enhancing C 2 H 4 selectivity in the CO 2 -ODHE reactive capture process.

C2H4 production↗

DOE OSTI2024

Surface science insight note: A linear algebraic approach to elucidate native films on Fe 3 O 4 surface

Standard materials are often used to obtain spectra that can be compared to those from unknown samples. Spectra measured from these known substances are also used as a means of computing sensitivity factors to allow quantification by X-ray photoelectron spectroscopy (XPS) of less well-defined materials. Spectra from known materials also provide line shapes suitable for inclusion in spectral models which, when fitted to spectra, permit the chemical state for a sample to be assessed. Both types of information depend on isolating photoemission signals from the inelastically scattered signal. In this Insight note, technical issues associated with the use of XPS of as received Fe 3 O 4 powder sample surface are discussed. The Insight note is designed to show how linear algebraic techniques applied to data collected from a sample marketed as pure Fe 3 O 4 powder are used to verify that XPS has been performed on chemistry representative of the sample. The methods described in this Insight note can further be utilized in elucidating complex XPS data obtained from thin films formed or evolved during cyclic/non-steady use of complex (electro)catalyst surfaces, especially in the presence of contaminants.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2025

A Novel Protection Scheme for Unbalanced Faults in Inverter Dominated Networks: A Computationally Efficient Algorithm for Entry-Level Relays

Microgrids are now a common practice in distribution systems to increase resilience and reliability. However, microgrid protection remains a critical challenge, considering its requirement to operate in both grid connected and islanded, and the variability in fault characteristics under each mode of operation. This paper presents unbalanced power (S unb ) based fault detection algorithm, which considers local voltage and current unbalances to determine faults in the system. S unb is a computationally efficient fault detection algorithm that is suitable for implementation in the programmable logic of entry level protective relays. In addition, the difference in current and voltage unbalance (D n ) is used to determine the fault type. The proposed method demonstrates high sensitivity and selectivity for line-to-ground (LG), line-to-line (LL), and double line-to-ground (LLG) faults, representing the most common faults in distribution systems. It also allows relay coordination with upstream and downstream protection devices in both island and grid connected operation, while preserving grading margins. The same pickup and time multiplier settings of a particular relay for both modes of operation eliminates the need for adaptive settings, which rely on communication networks. Validation was performed with a hardware-in-the-loop (HIL) setup using Typhoon HIL real time simulator interfaced with three entry-level, SEL 751 relays. Results confirmed the algorithm’s ability to discriminate fault conditions, and determine the fault type under both operating modes, maintain fast detection times, and ensure proper protection coordination.

fault classification↗

NASA NTRS2005

Chapter 12 - Flight Envelope

The term "flight envelope" is used to refer to the boundaries of aircraft loading and flight conditions within which operation of the aircraft is satisfactory, and beyond which some aspect becomes unacceptable. This flight envelope represents, in fact, the limiting conditions arising from a matrix of inter-related flight envelopes covering the appropriate variables. Thus, for each loading (i.e., external stores configuration and its associated range of weight and center of gravity (c.g.) position) and aircraft configuration (i.e., position of undercarriage (u/c), flaps, slats, etc.), the envelopes of airspeed versus altitude, airspeed versus load factor, angle of attack versus angle of sideslip, etc., must be investigated to establish the limits within which all aspects such as handling qualities, engine behavior, structural loads, etc., remain acceptable. Flight testing of new or derivative aircraft models is carried out with the initial purpose of defining a flight envelope which is, first and foremost, safe and secondarily, which enables the effective use of the vehicle for its intended purpose. Flight testing occurs only after numerous reviews of the design and review of results from ground tests and predictions of flight characteristics in such areas as structures, aerodynamics, stability and control, flight controls (particularly fly-by-wire control systems, propulsion, etc.). Accordingly, opening and expanding the envelope is a task that must be approached cautiously, systematically, and with coordination and cooperation of the many disciplines involved in the design and test of an airplane. (Sections 8 and 10 cover test planning and safety of flight considerations, respectively). The fundamental tenet in establishing a flight envelope via flight test is risk reduction. This is reflected in the typical sequence of events leading to initial flight test - design reviews (both hardware and software), then ground test involving singular disciplines (windtunnel tests for aerodynamics, structurally loading the wing/fuselage/nacelle on a ground test article with loads anticipated to occur in flight, flight control system control law checkout, propulsion test cell runs and/or flying test bed tests, etc.), and then ground tests involving multi-disciplines (See Section 9). Only after these have been accomplished will an initial, limited, low-risk, flight envelope be established. The limited envelope will typically be in the middle of the projected final flight envelope. Subsequent flight tests will then be devoted to expanding the initial envelope by operating the airplane at increasing ranges - representing increasing risk - of engine operation, airspeeds both fast and slow, altitude, load factor both above and below 1g, centers of gravity (fore and aft), and with system/subsystem failures. Whether flight tests are to define a flight envelope on a new model airplane with the attendant new airframe, new engine(s), and new subsystems (hydraulics, pressurization, etc.), or on an airplane involving only a few of these areas such as new engines in an old airframe, the fundamental approach to establishing an envelope is the same.

H Walgemoed↗

NASA NTRS2026

Spacecraft Radiator Protection from Ionizing Radiation, Dust, and Excessive Heat Loss

Under a Phase II SBIR project funded by NASA Johnson Space Center (Contract No. 80NSSC25C0088), Analytical Scientific Products LLC (ASP) has been developing an actively controlled louver to protect spacecraft radiators from degradation due to exposure to various types of environmental conditions. Of particular interest are ionizing radiation during spacecraft transit through the Van Allen belts, dust during spacecraft landing and surface operations on the moon, and excessive heat loss during the long lunar night especially near the poles where the local ambient temperatures can drop below -200°C. Exposure to ionizing radiation and dust can degrade the optical properties of the radiator coating that in turn reduces its ability to reject excess heat from the spacecraft into the environment. Exposure to the extremely low temperature conditions during the lunar night near the poles can freeze the radiator fluids that can compromise the integrity of the radiator. Passive louvers constructed using thick aluminum vanes are used currently to protect spacecraft radiators from some of the above effects, but they have several drawbacks: (i) their high aerial density makes it impractical to scale them to protect the much larger spacecraft radiators needed for future manned missions to the moon and beyond, (ii) the bimetallic actuators used to open and close the vanes in passive louvers rely on external temperature alone and so the louver cannot offer protection from dust and ionizing radiation when the ambient temperatures are high, and (iii) the bimetallic actuators need time scales of the order of hours to open and close. We have addressed the above limitations of passive louvers through the development of a low aerial density and rapidly actuating actively controlled louver. It is constructed from a custom alloy that offers much higher levels of protection against the ionizing radiation, dust and excessive heat loss at a fraction of weight compared to passive louvers while providing opening and closing time scales of the order of a second. Our modular design makes it easy to scale the system up or down depending on the application. We have recently constructed a 31 inch × 31 inch module of this louver and tested its functionality and effectiveness. These tests have shown that the louver can be opened and closed in less than 2 s. It reduces the transmission of ionizing radiation by 78% to 100% (depending on the radiation source), dust transmission by more than 93%, and heat loss by more than 97%. We are currently preparing to evaluate this device at the Johnson Space Center’s cryogenic vacuum chamber where it can be subjected to simulated lunar surface conditions. This paper provides a detailed discussion of the test designs as well as the data from tests that demonstrate the effectiveness in reducing the transmission of ionizing radiation, dust, and heat under laboratory conditions.

Radiator↗

NASA NTRSDate not supplied

Spacecraft Radiator Protection from Ionizing Radiation, Dust, and Excessive Heat Loss

Radiator↗

DOE OSTI2026

How Distributed Energy Resources Can Support Resilience in Utility Distribution Networks

The goal of this webinar is to engage with electric utilities in the Midwest, particularly small public utilities, to understand the industry's needs for science tools to plan for winter resilience in the future, designing tools that will benefit electric power resilience in all communities. Michigan Tech leads this project with partners from multiple academic, government, and industry groups and asked NLR to present on DERs and laboratory tools and resources.

24 POWER TRANSMISSION AND DISTRIBUTION↗