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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 325 records · Page 18

An efficient instance segmentation approach for studying fission gas bubbles in irradiated metallic nuclear fuel

Abstract Gaseous fission products from nuclear fission reactions tend to form fission gas bubbles of various shapes and sizes inside nuclear fuel. The behavior of fission gas bubbles dictates nuclear fuel performances, such as fission gas release, grain growth, swelling, and fuel cladding mechanical interaction. Although mechanical understanding of the overall evolution behavior of fission gas bubbles is well known, lacking the quantitative data and high-level correlation between burnup/temperature and microstructure evolution blocks the development of predictive models and reduces the possibility of accelerating the qualification for new fuel forms. Historical characterization of fission gas bubbles in irradiated nuclear fuel relied on a simple threshold method working on low-resolution optical microscopy images. Advanced characterization of fission gas bubbles using scanning electron microscopic images reveals unprecedented details and extensive morphological data, which strains the effectiveness of conventional methods. This paper proposes a hybrid framework, based on digital image processing and deep learning models, to efficiently detect and classify fission gas bubbles from scanning electron microscopic images. The developed bubble annotation tool used a multitask deep learning network that integrates U-Net and ResNet to accomplish instance-level bubble segmentation. With limited annotated data, the model achieves a recall ratio of more than 90%, a leap forward compared to the threshold method. The model has the capability to identify fission gas bubbles with and without lanthanides to better understand the movement of lanthanide fission products and fuel cladding chemical interaction. Lastly, the deep learning model is versatile and applicable to the micro-structure segmentation of similar materials.

36 MATERIALS SCIENCE↗

An electronic origin to the oscillatory segregation behavior in Ni-Cr and other BCC defects in FCC metals

Ni-Cr alloys exhibit oscillatory segregation behaviors near low index surfaces, in which the preferred segregation species changes from Ni in the first layer to Cr in the second layer. In many dilute-alloy systems, this oscillatory pattern is attributed to the elastic release of stresses in the local lattice around the segregating solute or impurity atom. These stresses are mostly thought to originate from mismatches in the atomic size of the solute and host atoms. In Ni-Cr alloys, however, an appreciable mismatch in atomic size is not present, leading to questions about the origins of the oscillatory behavior in this alloy. Therefore, using density functional theory, we have modeled the segregation of a single Cr atom in the and surfaces of FCC Ni, an alloy which exhibits this oscillatory behavior. Using Bader charge analysis, we show that the negative energy correlates directly with the amount of charge on the Cr atom. As Ni atoms strip valence charge from the Cr, the Cr contracts slightly in size. The greatest contraction and highest positive charge for the Cr occurs when it is in the second layer of the surface where the system exhibits the oscillating negative segregation energy. We then find that this behavior persists in other alloy systems (Ag-Nb, Cu-Cr, Pt-Nb, and Pt-V), which exhibit similar atomic radii and electronegativity differences between host and solute to Ni-Cr. These represent alloys in which the host metal exhibits an FCC ground-state structure while the solute metal exhibits a BCC ground-state structure.

36 MATERIALS SCIENCE↗

APOGEE-2S Mg–Al anti-correlation of the metal-poor globular cluster NGC 2298

We present detailed elemental abundances and radial velocities of stars in the metal-poor globular cluster (GC) NGC 2298, based on near-infrared high-resolution ($R$ ~ 22 500) spectra of 12 members obtained during the second phase of the Apache Point Observatory Galactic Evolution Experiment (APOGEE-2) at Las Campanas Observatory as part of the seventeenth Data Release (DR 17) of the Sloan Digital Sky Survey IV (SDSS-IV). We employed the Brussels Automatic Code for Characterizing High accuracy Spectra (BACCHUS) software to investigate abundances for a variety of species including α elements (Mg, Si, and Ca), the odd-Z element Al, and iron-peak elements (Fe and Ni) located in the innermost regions of NGC 2298. We find a mean and median metallicity [Fe/H] = -1.76 and -1.75, respectively, with a star-to-star spread of 0.14 dex, which is compatible with the internal measurement errors. Thus, we find no evidence for an intrinsic [Fe/H] abundance spread in NGC 2298. The typical $α$-element enrichment in NGC 2298 is overabundant relative to the Sun, and it follows the trend of other metal-poor GCs. We confirm the existence of an Al-enhanced population in this cluster, which is clearly anti-correlated with Mg, indicating the prevalence of the multiple-population phenomenon in NGC 2298.

79 ASTRONOMY AND ASTROPHYSICS↗

Systematic Study of Different Anion Doping on the Electrochemical Performance of Cobalt-Free Lithium–Manganese-Rich Layered Cathode

Regardless of the appealingly high energy density (1000 Wh kg –1 ) of the lithium–manganese-rich layered oxide cathode (LMR-NMO), this material still suffers from rapid capacity and voltage decay after continuous cycling. LMR-NMO involves the redox reaction of both transition metals and oxygen to gain additional capacity in comparison with a conventional NMC cathode. Due to the use of a high voltage range (beyond 4.4 V), the oxygen release from the structure initiates and in turn generates intergranular cracks and spinel formation, consequently, into rock-salt structure. Here, LMR-NMO with different doping ranges (1–5 mol %) of F, S, and Cl are being examined to summarize the benefits and drawbacks of each anion. This study shows that F is the best candidate as it increases average voltage (voltage retention 96–97% after 200 cycles at 0.5 C), improves ionic conductivity (nearly two times higher than pristine), reduces cation mixing, minimizes oxygen release, and offers high stability during high temperature cycle. However, for S and Cl, the results are conflicted. An optimal amount of anion dopants should be considered as the side effects might overcome the benefits when the doping amount is excessive.

25 ENERGY STORAGE↗

Atomistic deformation mechanism of silicon under laser-driven shock compression

Abstract Silicon (Si) is one of the most abundant elements on Earth, and it is the most widely used semiconductor. Despite extensive study, some properties of Si, such as its behaviour under dynamic compression, remain elusive. A detailed understanding of Si deformation is crucial for various fields, ranging from planetary science to materials design. Simulations suggest that in Si the shear stress generated during shock compression is released via a high-pressure phase transition, challenging the classical picture of relaxation via defect-mediated plasticity. However, direct evidence supporting either deformation mechanism remains elusive. Here, we use sub-picosecond, highly-monochromatic x-ray diffraction to study (100)-oriented single-crystal Si under laser-driven shock compression. We provide the first unambiguous, time-resolved picture of Si deformation at ultra-high strain rates, demonstrating the predicted shear release via phase transition. Our results resolve the longstanding controversy on silicon deformation and provide direct proof of strain rate-dependent deformation mechanisms in a non-metallic system.

36 MATERIALS SCIENCE↗

Nanoscale TiO 2 coating improves water stability of Cs 2 SnCl 6

To improve the stability of Cs 2 SnCl 6 under aqueous/moisture environments, we applied a concept of artificial passivation by depositing a protective TiO 2 coating of 10 nm on the surface of Cs 2 SnCl 6 . Static leaching experiments results indicate that the initial release rates of Cs + and Cl - are decreased by 20–30 times with TiO 2 coating, suggesting its possibility to improve the short-term water/environmental stability of Cs 2 SnCl 6 . An amorphous-to-crystalline phase transition in TiO 2 film was observed, possibly resulting in degradation of Cs 2 SnCl 6 . However, the crystalline TiO 2 film still remains after 21 days water exposure and can still act as an effective passivation layer to reduce the release rates of Cs + and Cl - by as much as about 17 and 7 times, respectively, relative to static leaching without artificial coatings. Therefore, the water/environmental stability of metal halide perovskite Cs 2 SnCl 6 , which is a highly soluble molecular salt, can be enhanced by the nanoscale TiO 2 coating as an artificial passivation film.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Electrical sensing, tracking, and actuation of droplets

Devices, techniques, and processes are disclosed that use electrical impedance to detect of the presence and contents of droplets including cells, nucleic acids, proteins, or solute concentrations in an array of retrievable, trackable, trapped droplets in a fluidic system. Electrodes may be positioned underneath individual droplet traps in a microchannel to assay droplet contents and/or actuating droplets for the release of the droplets from corresponding traps. The disclosed technology may be used for detection of the results of solvent extraction processes including time-dependent quantification of metal ion concentration in the aqueous and organic phases, for wastewater treatment, heavy metal detection, pharmaceutical industry, and/or biotechnology, or for environmental monitoring of wastewater for toxic metal, monitoring of biological cell viability and proliferation, monitoring of extraction processes used in heavy metal mining, monitoring of extraction processes used in nuclear fuel processing, monitoring kinetics of enzyme processes, and/or assessing pharmacodynamics and drug efficacy.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Electrolyte Reactivity at the Charged Ni-Rich Cathode Interface and Degradation in Li-Ion Batteries

The chemical and electrochemical reactions at the positive electrode–electrolyte interface in Li-ion batteries are hugely influential on cycle life and safety. Ni-rich layered transition metal oxides exhibit higher interfacial reactivity than their lower Ni-content analogues, reacting via mechanisms that are poorly understood. Here, we study the pivotal role of the electrolyte solvent, specifically cyclic ethylene carbonate (EC) and linear ethyl methyl carbonate (EMC), in determining the interfacial reactivity at charged LiNi 0.33 Mn 0.33 Co 0.33 O 2 (NMC111) and LiNi 0.8 Mn 0.1 Co 0.1 O 2 (NMC811) cathodes by using both single-solvent model electrolytes and the mixed solvents used in commercial cells. While NMC111 exhibits similar parasitic currents with EC-containing and EC-free electrolytes during high voltage holds in NMC/Li 4 Ti 5 O 12 (LTO) cells, this is not the case for NMC811. Online gas analysis reveals that the solvent-dependent reactivity for Ni-rich cathodes is related to the extent of lattice oxygen release and accompanying electrolyte decomposition, which is higher for EC-containing than EC-free electrolytes. Combined findings from electrochemical impedance spectroscopy (EIS), TEM, solution NMR, ICP, and XPS reveal that the electrolyte solvent has a profound impact on the degradation of the Ni-rich cathode and the electrolyte. Higher lattice oxygen release with EC-containing electrolytes is coupled with higher cathode interfacial impedance, a thicker oxygen-deficient rock-salt surface reconstruction layer, more electrolyte solvent and salt breakdown, and higher amounts of transition metal dissolution. These processes are suppressed in the EC-free electrolyte, highlighting the incompatibility between Ni-rich cathodes and conventional electrolyte solvents. Finally, new mechanistic insights into the chemical oxidation pathways of electrolyte solvents and, critically, the knock-on chemical and electrochemical reactions that further degrade the electrolyte and electrodes curtailing battery lifetime are provided.

25 ENERGY STORAGE↗

High-Rate, Selective Electrosynthesis of Cyclohexanone Oxime via In Situ Generation and Release of Hydroxylamine on Bismuth

Oxime compounds are key industrial intermediates for nylon precursors and commodity chemicals. However, conventional routes rely on multistep reactions and hydroxylamine (NH 2 OH) salts, raising significant safety and sustainability concerns. Although electrosynthesis offers an alternative, oxime formation on d-block transition metals suffers from poor selectivity, as nitrogen oxyanion intermediates bind strongly to the surface and are readily over-reduced to ammonia. Here, we report morphology-controlled p-block bismuth rhombic dodecahedra (Bi RDs) that promote in situ NH 2 OH generation and its desorption into the electrolyte, enabling an electrochemical-chemical decoupled route for cyclohexanone oxime (CHO) synthesis. Bi RDs deliver nearly 100% Faradaic efficiency (FE) at −0.5 V vs. RHE and a yield of 1.4 mmol h –1 cm –2 at −0.9 V vs. RHE in an H-cell, while maintaining a CHO selectivity of nearly 100% at 100 mA cm –2 in a flow cell. Under identical conditions, d-block electrodes (Cu, Pd, Ag) show FE below 30%. Density functional theory calculations reveal that Bi 6p orbital-derived surface states weaken intermediate binding and facilitate NH 2 OH desorption, suppressing over-reduction. Kinetic analysis, post-addition trapping experiments, and in situ ATR-FTIR and Raman spectroscopy suggest the following reaction mechanism: NH 2 OH is selectively generated at the electrode surface, released as a freely diffusing intermediate, and undergoes homogeneous condensation with cyclohexanone in the bulk electrolyte, bypassing the surface-confined Langmuir–Hinshelwood pathway. These findings demonstrate that regulating intermediate desorption through p-block orbital chemistry provides a general strategy for achieving high selectivity in electro-organic nitrogen synthesis.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Review and Summary of Corrosion Behavior for Aluminum-Clad Spent Nuclear Fuel in Dry Storage

A description of the corrosion behavior of aluminum alloys used for cladding on aluminum-based, aluminum-clad nuclear fuel used in research reactors under potential dry storage conditions has been compiled. An evaluation is made of potential additional corrosion with water postulated to not be removed during drying. The relative humidity (RH) produced by typical dryness criteria for industrial spent nuclear fuel drying is expected to be low, particularly at high temperatures (17% RH at 20°C and lower at higher temperatures). Existing corrosion data suggests that negligible vapor-phase corrosion of aluminum is expected at such low humidity, even for nominally bare aluminum surfaces. That is, the predicted relative humidity from free water (e.g., 17% RH) is below the “critical” relative humidity (~40% RH at room temperature), below which no significant corrosion is observed for bare aluminum. Furthermore, reported room-temperature corrosion rates are very low even under saturated (100% RH) water vapor. Existing results showing significant vapor-phase corrosion corresponded specifically to conditions of high temper ed with high relative humidity. A relatively large reservoir of (chemically bound) water exists in the aluminum (oxy)hydroxide films on the SNF cladding surface. The estimated total could saturate the gas even at relatively high temperature if fully released; however, its release as molecular water is expected to only be plausible if the temperature during storage exceeds both the drying temperature and the threshold for thermal decomposition of the trihydroxides (~220°C). Therefore, the combination of high temperature and high relative humidity that could drive significant corrosion is considered implausible during sealed dry storage following an appropriate drying process, to include >220°C drying for canisters that may approach or exceed this temperature during storage. Vapor-phase testing of aluminum samples with an adherent (oxy)hydroxide layer, prepared in liquid water to resemble those on actual aluminum-clad spent nuclear fuel (ASNF), did not observe evidence of additional corrosion even at combined high-temperature (up to 180°C) and high-humidity (up to 100% RH) conditions. Instead, small net mass losses were observed for most specimens and attributed to dehydration of the samples, which had been air-dried only prior to testing. ASNF being moved to dry storage is expected to have an existing (oxy)hydroxide film, suggesting that the cladding will be less prone to additional corrosion than bare aluminum metal. If significant corrosion did occur during sealed storage, the overall extent and impact is expected to be small. Corrosion post-closure of a canister would not alter the total amount of hydrogen in the canister, so it would have no effect on the maximum H 2 release already assessed in existing bounding calculations. In addition, the total amount of water in a 25-µm dense bayerite film would consume a only ~8 µm additional aluminum metal on average, if fully consumed by oxidizing aluminum metal to Al 2 O 3 . These conclusions are consistent with ASNF-in-canister simulations to date, which included a reaction pathway for corrosion using kinetics from previous literature and believed to be conservative and predicted very low rates of corrosion.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

The Mechanism of Fluorine Doping for the Enhanced Lithium Storage Behavior in Cation-Disordered Cathode Oxide

Li-rich cation-disordered rock-salt (DRX) materials have emerged as promising candidates for high-capacity oxide cathodes. Their fluorinated variants have shown improved cycling stability with effectively suppressed oxygen loss. However, a comprehensive understanding of how fluorination impacts the multiscale structure and lithium transportation in DRX remains elusive in experiments. In this study, the neutron total scattering technique in conjunction with the advanced reverse Monte Carlo (RMC) fitting method is employed to characterize the intricate structure of Li 1.16 Ti 0.37 Ni 0.37 Nb 0.1 O 2 (LTNNO) and the fluorinated Li 1.2 Ti 0.35 Ni 0.35 Nb 0.1 O 1.8 F 0.2 (LTNNOF). Through rigorous statistical analysis, the multiscale structural evolution upon fluorination is quantified from atomic (≤5 Å) to long-range scale (≈100 Å). The local Li-rich environments around F induce a modest 2.4% increment in the number of fast Li 0TM (transition metal) channels. Crucially, at a broader scale, the proportion of 0TM channels participating in percolation increases significantly from 2.9% in LTNNO to 8.7% in LTNNOF. Fluorination improves the capacity release mainly through merging isolated fast Li channels into the percolation network. This work experimentally unravels the multiscale mechanism of fluorination-induced performance improvement in DRX materials and highlights the necessity of adopting an advanced RMC fitting method to obtain a full view of the complex structural features in developing high-capacity DRX cathodes.

25 ENERGY STORAGE↗

Direct synthesis and chemical vapor deposition of 2D carbide and nitride MXenes

Two-dimensional transition-metal carbides and nitrides (MXenes) are a large family of materials actively studied for various applications, especially in the field of energy storage. MXenes are commonly synthesized by etching the layered ternary compounds, called MAX phases. We demonstrate a direct synthetic route for scalable and atom-economic synthesis of MXenes, including compounds that have not been synthesized from MAX phases, by the reactions of metals and metal halides with graphite, methane, or nitrogen. The direct synthesis enables chemical vapor deposition growth of MXene carpets and complex spherulite-like morphologies that form through buckling and release of MXene carpet to expose fresh surface for further reaction. The directly synthesized MXenes showed excellent energy storage capacity for lithium-ion intercalation.

Wang, Di↗

Consequence analyses of sabotage-induced radiological releases in sodium-cooled fast microreactors

Analysis of three sodium-cooled fast microreactors (SFMs) with thermal powers of 10, 30, and 50 MWt showed that smaller reactors result in lower radiological consequences during a postulated sabotage-induced event because of their reduced core inventory. All SFMs used U-10Zr metal fuel enriched to 15 wt% high-assay low-enriched uranium and operated until their respective effective multiplication factor (k eff ) reduced to less than 1 or until the end of their operational lifespan. Sabotage scenarios were simulated at this point, when the fuel inventory within the core contains the highest-level of radioactivity. Radionuclide core inventories were calculated using the SCALE code at shutdown and 3 days post-shutdown. Dose consequence analyses were performed for three sabotage scenarios using the RASCAL tool. As microreactor developers plan for minimal on-site or complete off-site emergency response, it remains essential to evaluate their physical protection needs and potential hazards, including assessing postulated sabotage-induced events that could become more relevant. SFM licensees should identify a credible worst-case, major accident, estimate release source terms, and perform dose consequence analyses to evaluate site-specific physical protection measures. In conclusion, this recommendation supports a risk-informed, performance-based approach, aligning with applicable regulatory requirements, i.e., 10 CFR Parts 100 and 53 rulemaking in the United States.

98 NUCLEAR DISARMAMENT, SAFEGUARDS, AND PHYSICAL P↗

Advances in Metallic Fuel Database Development and Data Qualification

The Fuels Irradiation and Physics Database (FIPD [1]) is a comprehensive repository of data and documents related to Uranium-Zirconium based metallic fuel test pins. This database stores operational conditions of these pins, calculated using a suite of Argonne National Laboratory analysis codes developed during the Integral Fast Reactor (IFR) program. Key calculated data include axial distributions of power, temperature, fluence, burnup, and isotopic densities. Additionally, the FIPD holds post-irradiation examination (PIE) data such as fission gas release, gas chemistry measurements, and axial distributions derived from profilometry, gamma scanning, and neutron radiography. Complementing these data is an extensive archive of documents related to various pins and experiments. These include raw PIE records, design details, safety analyses, and operational reports. More detail about FIPD can be found in ref. [2]. The database development is an ongoing effort covering metallic fuel experiments from the Experimental Breeder Reactor II (EBR-II) and the Fast Flux Test Facility (FFTF). The recent improvements to the database and the data QA status are summarized in this paper.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Nearby stellar substructures in the Galactic halo from DESI Milky Way Survey Year 1 Data Release

We report five nearby ($d_{\mathrm{helio}} < 5$ kpc) stellar substructures in the Galactic halo from a subset of 138 661 stars in the Dark Energy Spectroscopic Instrument (DESI) Milky Way Survey Year 1 Data Release. With an unsupervised clustering algorithm, HDBSCAN*, these substructures are independently identified in Integrals of Motion ($E_{\rm tot}$, $L_{\rm z}$, $\log {J_r}$, $\log {J_z}$) space and Galactocentric cylindrical velocity space ($V_{R}$, $V_{\phi }$, $V_{z}$). We associate all identified clusters with known nearby substructures (Helmi streams, M18-Cand10/MMH-1, Sequoia, Antaeus, and ED-2) previously reported in various studies. With metallicities precisely measured by DESI, we confirm that the Helmi streams, M18-Cand10, and ED-2 are chemically distinct from local halo stars. We have characterized the chemodynamic properties of each dynamic group, including their metallicity dispersions, to associate them with their progenitor types (globular cluster or dwarf galaxy). Our approach for searching substructures with HDBSCAN* reliably detects real substructures in the Galactic halo, suggesting that applying the same method can lead to the discovery of new substructures in future DESI data. With more stars from future DESI data releases and improved astrometry from the upcoming Gaia Data Release 4, we will have a more detailed blueprint of the Galactic halo, offering a significant improvement in our understanding of the formation and evolutionary history of the Milky Way Galaxy.

dynamics↗

Scaled up Process Report – Apparatus and Model

Advanced voloxidation with NO 2 is a proposed process for used nuclear fuel head-end reprocessing scheme that converts UO 2 to higher oxides, and it also converts partitioning volatile fission products into the gas phase, thus facilitating fuel dissolution and actinide recovery. NO 2 voloxidation is being studied on small batches of UO 2 Simfuel, but the real test of process feasibility will be when it is scaled up to work with >100 g of irradiated material. This report discusses the aspects of scale-up that must be considered for NO 2 voloxidation, including development of a stirred reactor to promote agitation of the mixture during processing, online process monitoring, and automation controls. Brief details on parallel efforts are also provided in this report, including (a) demonstration of iodine release from Simfuel made by Spark Plasma Sintering, and (b) development of an order-of-magnitude scale-up to react 100 g of UO 2 Simfuel in a metal reactor.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

High Spatial Resolution Mapping of Retained Fission Gas

Fission gas isotopic analysis provides quantitative high precision determination of irradiated nuclear fuel burnup, offers diagnostic value, and informs fuel performance models. A measurement capability has been developed at Idaho National Laboratory (INL) for the release of retained fission gas using a focused laser and static noble gas mass spectrometry (MS) analysis. This high resolution (10s microns spot size) capability was demonstrated using Xe implanted metal foils.

07 - ISOTOPES AND RADIATION SOURCES↗

Irradiation Effects on Stability of δ-UZr2 phase in U-50 wt% Zr Alloy

U-50wt%Zr is a candidate metallic nuclear fuel with potential application in light water reactors due to its excellent thermal properties and high radiation tolerance. The Zr-rich UZr fuels possess greater swelling resistance and fission gas release characteristics compared with U-rich UZr fuels. In this current study, the δ-phase U-50wt%Zr is proton irradiated at room temperature to 1 displacement per atom (dpa) to provide insights on phase stability under irradiation conditions. High resolution characterization of Transmission Electron Microscopy (TEM) and Atom Probe Tomography (APT) characterization techniques are used to elucidate microstructural changes due to irradiation. TEM and APT results show highly oriented bcc β-Zr-rich platelet precipitates nucleating adjacent to α-U phases inside the UZr 2 matrix. Formation of this platelet morphology is characteristic of Widmänstatten structure which can be attributed to a variety of factors such as differences in thermal expansion coefficient between the phases, grain size, alloy composition, and cooling rate. The phases present are distinctly different than those observed through in situ annealing, but irradiation accelerates diffusion and phase separation kinetics. These microstructural changes in U-50wt%Zr are different from those achieved by pure thermodynamic or high temperature heavy ion irradiation experiments. Finally, our work, together with previous ones, highlight the necessity to study the U-Zr phase diagram under non-equilibrium thermodynamics conditions to support this material's deployment as a viable nuclear fuel form.

36 MATERIALS SCIENCE↗