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At least 73 records · Page 4

Experimental Validation of Thermal Hydraulic Behavior in Sodium Fast Reactors (SFR) with the Thermal Hydraulic Experimental Test Article (THETA)

Thermal stratification and transition to natural circulation pose two of the largest sources of uncertainty in systems-level modeling of liquid metal-cooled fast reactors. As these phenomena typically develop during transient event sequences, licensing-basis events analyzed using systemslevel models may have considerable uncertainties associated with thermal-hydraulic parameters of the system to account for these phenomena. As a result, the validation basis for these phenomena for systems-level codes is insufficient to fully support the wide range of liquid metal fast reactors being developed in the US. Currently, the most viable path for licensing a design is to take significant conservatisms and maintain sufficiently large safety margins to account for this uncertainty.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Functional characterization of glycosyltransferases in duckweed to enable predictive biology

Glycosyltransferases (GTs) catalyze the formation of glycosidic linkages to produce almost all complex carbohydrates. This project used a multi-disciplinary, high-throughput (HTP) biochemical and computational biology approach focused on duckweed as a model energy crop, to study carbohydrate metabolic processes. To achieve this, developed and carried out out high-throughput (HTP) functional characterization of plant glycosyltransferases (GTs) role of enzymatic microenvironments be assessed through a combined proteomic and computational biology approach, and the combined data was used to populate deep-learning frameworks to predict plant GT function. Functional validation achieved through this research is being used to assign gene function and study plant processes at the systems level to efficiently link the genome sequence with gene function. Together, the combined approaches used within this study provide a foundation for how computational prediction, in combination with high-throughput functional validation, can be used to study plant processes at the systems level and translate knowledge gained to efficiently link genome sequence with gene function in a species agnostic manner.

09 BIOMASS FUELS↗

Synergy and antagonism in a genome-scale model of metabolic hijacking by bacteriophages

Bacteriophage auxiliary metabolic genes (AMGs) alter host metabolism by hijacking reactions, but previous studies mostly inferred their roles from annotations, ignoring system-wide impacts and phage production. Here we integrate AMGs and phage assembly into a genome-scale metabolic model of Prochloroccocus marinus MED4 infected by P-HM2. We show that 17 directly hijacked reactions substantially affect more than 30% of the reactions in MED4 metabolism, including carbon fixation, photosynthesis, and nucleotide synthesis, distinguishing these AMGs as either phage aligned—shifting feasible reaction velocities in accordance with maximal phage production—or phage antialigned. Pareto optimization reveals that phage-aligned reactions alter phage-host growth trade-offs, while phage-antialigned reactions do not. We experimentally validate our predictions of system-level AMG impacts by measuring the N-dependent effect of P-HM2 cp12 expression on growth in a model relative of the genetically intractable MED4, Synechococcus elongatus. We also show that AMGs’ indirect impacts are synergistically and antagonistically coupled, providing systems-level insight into AMG perturbations and highlighting how nontrivial cascading effects shape host metabolism.

Rozum, Jordan C. [Pacific Northwest National Labor↗

Multiscale Modeling of the Mechanical Response of Silicon Carbide Composite Within the Accelerated Fuel Qualification Framework

The accelerated fuel qualification (AFQ) framework has been used for the initial development of multiscale modeling of silicon carbide (SiC) fiber reinforced composite (SiC-SiC). The AFQ framework provides a methodology to leverage physics-informed multiscale modeling along with a reduced set of empirical test data to reduce the time and cost of licensing and qualification of new nuclear fuel systems while maintaining the overall nuclear power plant safety case. SiC-SiC is being proposed for in-core applications, most notably fuel cladding, for current and next-generation nuclear reactors because of its high temperature stability, irradiation tolerance, and ability to withstand many accident conditions. As these composites exhibit multiscale architectures and complex microstructure-based fracture mechanics, it is an appealing use case for the AFQ methodology. While the end goal of this work is a single multiscale model that can be used for predictive in-core performance, current focus is on the individual various length scale models. Four individual models have been initially developed from microscale to engineering system level to capture key physics-based effects across different length scales. These models include a microscale homogenized tow model, a mesoscale fast Fourier transform–based weave model that integrates the homogenized tow model, a mesoscale finite element–based weave model, and a system-level BISON fuel performance model. Results of these models have undergone an initial comparison with separate-effects test data showing a good match to experimental results. By using the AFQ framework during model development, several near-term benefits have been secured including a reduction in development time for the SiC-SiC cladding, more targeted irradiation testing, and a better understanding of uncertainty.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Signatures of rotating black holes in quantum superposition

A new approach for operationally studying the effects of spacetime in quantum superpositions of semiclassical states has recently been proposed by some of the authors. This approach was applied to the case of a (2+1)-dimensional Bañados-Teitelboim-Zanelli (BTZ) black hole in a superposition of masses, where it was shown that a two-level system interacting with a quantum field residing in the spacetime exhibits resonant peaks in its response at certain values of the superposed masses. Here, we extend this analysis to a mass-superposed rotating BTZ black hole, considering the case where the two-level system corotates with the black hole in a superposition of trajectories. We find similar resonances in the detector response function at rational ratios of the superposed outer horizon radii, specifically in the case where the ratio of the inner and outer horizons is fixed. This suggests a connection with Bekenstein’s seminal conjecture concerning the discrete horizon spectra of black holes in quantum gravity, generalized to the case of rotating black holes. Here, our results further indicate that deeper insights into quantum-gravitational phenomena may be accessible via tools in relativistic quantum information and curved spacetime quantum field theory.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Metabolic flux and resource balance in the oleaginous yeast Rhodotorula toruloides

The yeast Rhodotorula toruloides is a promising bioproduction organism due to its high lipid yields and ability to grow on cheap and abundant substrates. Quantitative, systems-level assessment of its metabolic activity is accordingly merited. Resource-balance analysis (RBA) models capture not only reaction stoichiometry but also enzyme requirements for catalysis, providing valuable tools for understanding metabolic trade-offs and optimizing metabolic engineering strategies. Here, in this work, we present systems-level measurements of R. toruloides metabolic flux based on isotope tracing and metabolic flux analysis. In combination with new proteomic measurements, these flux data are used to parameterize a genome-scale resource balance model rtRBA. We find that S. cerevisiae and R. toruloides grow at nearly indistinguishable rates using similar biosynthetic but dramatically different central metabolic programs. R. toruloides consumes one-fifth as much glucose, which it metabolizes primarily via the pentose phosphate pathway and TCA cycle unlike primarily glycolysis in S. cerevisiae . Overall, across these two divergent yeasts, protein abundances aligned more closely than metabolic flux. Resource balance modeling of these metabolic programs predicts superior theoretical yields but lower productivities in R. toruloides than S. cerevisiae for industrial chemicals, highlighting the value of rapid glucose uptake for productivity but respiratory metabolism for yields.

60 APPLIED LIFE SCIENCES↗

SAM Theory Manual

The System Analysis Module (SAM) is an advanced and modern system analysis tool under development at Argonne National Laboratory for advanced non-LWR reactor safety analysis. It aims to provide fast-running, modest-fidelity, whole-plant transient analyses capabilities, which are essential for fast turnaround design scoping and engineering analyses of advanced reactor concepts. While SAM is being developed as a system-level modeling and simulation tool, advanced modeling techniques being implemented include a reduced-order three-dimensional module, pseudo 3-D conjugate heat transfer modeling in reactor core, flexible and multi-scale modeling of heat transfer between fluid and structures, in addition to the advances in software environments and design, and numerical methods. SAM aims to be a generic system-level safety analysis tool for advanced non-LWRs, including Liquid-Metal-cooled fast Reactors (LMR), Molten Salt Reactors (MSR), Fluoride-salt-cooled High-temperature Reactors (FHR), and High-Temperature Gas-cooled Reactors (HTGR). SAM takes advantage of advances in physical modeling, numerical methods, and software engineering to enhance its user experience and usability. It utilizes an object-oriented computational framework (MOOSE), and its underlying meshing and finite-element library and linear and non-linear solvers, to leverage the modern advanced software environments and numerical methods. This document provides the theoretical and technical basis of the code to help users understand the underlying physical models (such as governing equations, closure models, and component models), system modeling approaches, numerical discretization and solution methods, and the overall capabilities in SAM. As new code capabilities and features are added, the SAM Theory Manual will be updated periodically to keep it consistent with the state of the development.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Lattice-Renormalized Tunneling Models for Superconducting Qubit Materials

We present a lattice-renormalized formalism for configurational tunneling two-level systems (TLS) that overcomes limitations of minimum-energy-path and light-particle models. Derived from the nuclear Hamiltonian, our formulation introduces composite phonon coordinates to capture lattice distortions between degenerate potential wells. This approach resolves deficiencies in prior models and enables accurate computation of tunnel splittings and excitation spectra for hydrogen-based TLS in bcc Nb. Our results bound experimental tunnel splittings and reveal strong anharmonic couplings between tunneling atoms and lattice phonons, establishing a direct link between TLS dynamics and phonon-mediated strain interactions. The formalism further generalizes to multi-level systems (MLS), providing insight into defect-induced decoherence in superconducting qubits and guiding strategies for materials design to suppress TLS-related loss.

Pritchard, P. G. [Northwestern U.]↗

Eliminating Surface Oxides of Superconducting Circuits with Noble Metal Encapsulation

The lifetime of superconducting qubits is limited by dielectric loss, and a major source of dielectric loss is the native oxide present at the surface of the superconducting metal. Specifically, tantalum-based superconducting qubits have been demonstrated with record lifetimes, but a major source of loss is the presence of two-level systems in the surface tantalum oxide. Here, we demonstrate a strategy for avoiding oxide formation by encapsulating the tantalum with noble metals that do not form native oxide. By depositing a few nanometers of Au or AuPd alloy before breaking vacuum, we completely suppress tantalum oxide formation. Microwave loss measurements of superconducting resonators reveal that the noble metal is proximitized, with a superconducting gap over 80% of the bare tantalum at thicknesses where the oxide is fully suppressed. Further, our findings suggest that losses in resonators fabricated by subtractive etching are dominated by oxides on the sidewalls, pointing to total surface encapsulation by additive fabrication as a promising strategy for eliminating surface oxide two-level system loss in superconducting qubits.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

SAM Code Enhancements for Modeling of Liquid Metal-Cooled Fast Reactor Concepts

The SAM code is under development and supported by DOE-NE’s Nuclear Energy Advanced Modeling and Simulation program as a modern system-level modeling and simulation tool for advanced non-light water reactor safety analyses. These advanced reactor concepts incorporate novel and improved approaches to achieve safety and economic feasibility. This report summarizes two major efforts in addressing the modeling gaps in SAM for liquid-metal-cooled fast reactor (LMFR) applications, i.e. thermal mixing and stratification phenomena in large pools and corrosion-oxidation of components in flowing lead. A new one-dimensional model for thermal mixing and stratification effects in large pools and enclosures is developed and implemented. Thermal mixing and stratification occur when fluid enters a pool at a temperature different than the bulk fluid itself, a scenario often encountered during transients in pool-type systems. These phenomena are critical for the safety of reactors, impacting phenomena like natural circulation, which is essential for passive cooling. The improved model in SAM addresses limitations of state-of-the-art approaches by combining one-dimensional (1D) channels, representing the coolant jet flow, with lumped-parameter zero-dimensional (0D) pools, representing the rest of coolant in the tank. Energy exchange between the 1D jet and the 0D pools is based on heat transfer correlations calibrated against 3D simulations. It is verified that this model can handle various flow configurations, including hot jets in colder pools, cold jets in hotter pools, and the presence of features like ceilings, free surfaces, and obstacles. Additionally, validation against experimental data demonstrates the ability of the model to capture mixing and stratification effects in a wide range of conditions. The flexibility and improved accuracy of the new model make it a valuable tool for reactor safety analysis, allowing for the simulation of different geometries encountered in advanced reactors. A system-level corrosion modeling capability is developed and implemented in SAM to support Lead Fast Reactor (LFR) development. Although the initial focus of this capability will be on LFR application, this can later be expanded to include other liquid metals such as Lead-Bismuth Eutectic (LBE) and PbLi. This report summarizes the common corrosion mitigation strategies and outlines the progress on implementing and validating a corrosion-oxidation model in SAM. Verification and validation of the corrosion-oxidation portion of the model was performed using analytical solution and measured data from samples tested in the non-isothermal pumped lead loop at IPPE Obninsk. The iron transport and corrosion/precipitation portion of the model was assessed using an analytical model and measured corrosion depths from a natural convection lead loop experiment performed at CEA. It is demonstrated that the model implemented in SAM performed well in these assessments.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

Cost-Benefit Analysis For Indonesia Building Sector: Whole-Building Cooling Solutions

The Net Zero World (NZW) Initiative Collaborative Work Program with the Government of Indonesia (GoI) includes technical assistance and investment mobilization facilitation to accelerate deployment of energy efficiency technologies and solutions for the building sector. A February 2023 U.S.–Indonesia Joint Workshop on Decarbonizing the Building Sector yielded a NZW Indonesia Building Decarbonization Working Group (NZW IBDWG) with four sub-working groups (SWG): SWG-A National Center, SWG-B Capacity Building, SWG-C Investment and Financing, and SWG-D Pilot Projects. Technical analysis of whole-building cooling solutions for tropical climates of Indonesia was conducted by SWG-A to quantify energy savings, carbon dioxide reductions, and comfort improvements offered by 12 passive or low-energy cooling strategies: ceiling fans with and without thermostat setbacks; cool roofs; cool walls; exterior awnings; exterior shades; interior shades; insulated roofs; insulated walls; low-e windows; solar window films; and natural ventilation. Leveraging the results from SWG-A, cost-benefit analysis (CBA) was conducted by SWG-C to assess the consumer and national costs and impacts associated with these 12 cooling solutions. The evaluation involved estimating life-cycle costs (LCC), payback period (PBP), net present values (NPV), annual electricity burden change for low-income households, and reduced national annual power-sector generation demand by 2030, 2040, 2050, and 2060. This evaluation can help guide Indonesia’s Just Energy Transition Partnership (JETP) investments in policies and programs to advance research, development, deployment, and commercial adoption (RDDCA) of efficient residential building sector cooling technologies and solutions in Indonesia. Four key energy conservation measures (ECM) have been identified to reduce air-conditioning (AC) energy demand in single-family housing in Indonesia: ceiling fan with temperature setback (to 28.1 °Celcius from 25 °C); insulated walls; insulated roof; and cool roof. This study found that low-income households with AC installations in Indonesia currently face a high energy cost burden of approximately 10%. However, by implementing a ceiling fan with temperature setback, this burden could decrease to 2.5% today and further reduce to 1.3% by the year 2060. The PBP for a ceiling fan with temperature setback is one year, indicating one of the lowest LCC and best NPV. In the planned upcoming phase of CBA, a series of building cooling improvement scenarios can be further defined, incorporating more than one ECM in combination with socio-economic factors evaluated in the initial CBA phase. Additionally, the analysis of ECM effects in multifamily housing can be expanded. This broader national analysis aims to encompass a holistic and comprehensive system-level perspective, including factors such as avoided power sector infrastructure investments, domestic job creation, domestic manufacturing job creation, and gross domestic product (GDP) growth.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

Low embodied energy and carbon, high lifetime silicon boules via a combined chemical vapor deposition/float zone process

This work evaluates a new process route to making float zone (Fz)-quality silicon wafers using a combination of computational fluid dynamics (CFD) modeling and technoeconomic analysis. Our analysis finds that the new process competes with Czochralski (Cz)-grown wafers on a levelized cost of energy system level. The new process also decreases embodied energy and carbon of silicon photovoltaics (PV) by ~6x circumventing the energy-costly Siemens process used in polycrystalline silicon (poly-Si) production plants to generate feedstock for Fz and Cz boules. Instead of using poly-Si from the Siemens process to feed crystallization, the new process uses the high-purity, trichlorosilane (TCS) precursor gas to grow a poly-Si feed rod in-situ during a modified Fz1,2 boule growth process. The gas-to-boule float zone process enables opportunity to produce high-purity (low metals and oxygen content), uniformly doped single crystal silicon boules and wafers with high bulk lifetimes (τ bulk > 15 ms) to enable higher efficiency cells (>27 %) with fewer known degradation mechanisms than Czochralski (Cz)-grown wafers. These benefits reduce the levelized cost of electricity (LCOE) of PV-produced electricity. Here we show the results of our CFD and chemical modeling of the process to prove feasibility and economic viability.

14 SOLAR ENERGY↗

Numerical and experimental analysis of mechanically induced failure in electric vehicle battery modules

Mitigating thermal runaway and cell-to-cell propagation is essential for improving the safety of electric and hybrid vehicles. Enhancing digital twin capabilities to predict battery mechanical abuse is particularly critical for automotive and aerospace applications, where crashworthiness is a key concern. Understanding failure conditions and propagation in battery modules during mechanical abuse is complex due to interactions between structural deformation, heat transfer, electrochemical processes, exothermic reactions and mechanical fracture. While prior studies have focused on modeling cell-level behavior, extending these models to module or pack level is necessary for a system level understating of electric vehicle safety. This study develops coupled large deformation finite element models that simultaneously solve for electrochemistry, material failure, internal short circuit and thermal runaway propagation. The models account for mechanical and thermal interactions between lithium-ion cells and other battery components while the contact interfaces are evolving with time. Model-predicted voltage, temperature and force responses are compared with experimental data for validation. The results demonstrate that the approach captures key failure mechanisms, including thermal propagation through heat transfer, electrical propagation from short circuits in parallel-connected cells, and mechanical propagation via penetration and crack formation. These findings show that computational models are valuable tools for understanding battery module failure and providing insight that can reduce the need for extensive experimental testing.

25 ENERGY STORAGE↗

Suppressed paramagnetism in amorphous Ta 2 O 5 − x oxides and its link to superconducting-qubit performance

Amorphous-oxide layers in thin-film capacitors are linked to reduced transmon-qubit T 1 coherence times. Ta -based capacitors outperform Nb -based ones, suggesting that amorphous Ta 2 O 5 − x is less lossy than Nb 2 O 5 − x . We investigate the microscopic features of these amorphous oxides using ab initio molecular dynamics and density functional theory, revealing the origins of the superior performance of Ta 2 O 5 − x . We establish that oxygen deficiency is less likely to occur in amorphous Ta 2 O 5 − x than in Nb 2 O 5 − x for 0 ≤ x ≤ 0.25 and that for a given oxygen deficiency x , metal Ta — Ta bond formation is enhanced. Such bonds, which are accommodated by structural flaws in the amorphous network, capture electrons better than in amorphous Nb 2 O 5 − x . These thermochemical differences quench or highly suppress magnetic moments in amorphous Ta 2 O 5 − x and eliminate a potential source of quasiparticles and magnetic flux noise. We also show that hyperfine couplings between Nb nuclei and local magnetic moments in Nb 2 O 5 − x can form “two-level systems” (TLSs) or “two-level fluctuators” with energy splittings of 100–1000 MHz or higher. This reveals a TLS mechanism in amorphous Nb 2 O 5 − x oxide layers that is likely inactive in Ta 2 O 5 − x . Our work provides a fundamental understanding of the materials chemistry and limitations imposed by native oxides of superconducting qubits that can be used to guide materials selection and processing.

Pritchard, P. Graham [Northwestern U.] (ORCID:0000↗

Environmentally Assisted Fatigue in Light Water Reactor Environment

This report summarizes the Environmentally Assisted Fatigue (EAF) research conducted at ANL under the US DOE Light Water Reactor Sustainability (LWRS) program. Starting from a rich background in theoretical and experimental EAF, ANL previously developed an approach to evaluate fatigue performance of reactor materials in light water reactor environments with the correction factor F en . The approach was based on a large body of experimental work performed at ANL and elsewhere, and was consistent with American Society of Mechanical Engineers (ASME)’s methodology governing the design and construction of reactor components. In recent years, the program was focused on component fatigue prediction and made several major and fundamental contributions in this area. These accomplishments help meet the needs identified by the industry concerning component level fatigue predictions in complex, transient conditions. The main contribution of the ANL program involved the development of a system-level model for estimating residual strain and life of nuclear reactor coolant system components under connected-system-thermal-mechanical boundary conditions. The goal was to predict the stress hotspots, strain residuals, strain amplitudes and the resulting fatigue lives. Thermal-mechanical stress analysis was performed considering thermal stratification and a design-basis reactor loading cycle. Based on the finite element (FE) model results, the strain residuals, strain amplitudes and resulting fatigue lives of reactor coolant system (RCS) components were predicted. The results show that some of the RCS components can have significantly different strain amplitudes, residual strain, and fatigue lives, despite having similar geometry and material. In addition, the simulated component-level strain profile can guide the selection of appropriate test inputs for conducting laboratory-scale EAF tests. Building upon the system-level model, ANL developed a digital twin (DT) framework to predict the structural states and associated fatigue life of components in real-time. This framework is a comprehensive system designed to predict the structural states and fatigue lives of reactor components. It includes multiple models and integrates artificial intelligence (AI), machine learning (ML), and FE based modeling tools to evaluate the structural states and fatigue lives.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Cryogenic growth of aluminum: Structural morphology, optical properties, superconductivity, and microwave dielectric loss

We explore the molecular beam epitaxy synthesis of superconducting aluminum thin films grown on c-plane sapphire substrates at cryogenic temperatures of 6 K and compare their behavior with films synthesized at room temperature. We demonstrate that cryogenic growth increases structural disorder, producing crystalline grains that modify the optical, electrical, and superconducting properties of aluminum. We observe that cryogenic deposition changes the color of aluminum from fully reflective to yellow and correlate the pseudodielectric function and reflectance with structural changes in the film. We find that smaller grain sizes enhance the superconductivity of aluminum, increasing its critical temperature and critical field. We then estimate the superconducting gap and coherence length of Cooper pairs in aluminum in the presence of disorder. In conclusion, we fabricate superconducting microwave resonators on these films and find that, independently of the growth temperature, the system is dominated by two-level system loss with similar quality factors in the high- and low-power regimes. We further measure a higher kinetic inductance in the cryogenically grown films.

36 MATERIALS SCIENCE↗

Real-Time Testbed for Smart Grid Recloser Controller

The growing need for a low voltage recloser has become apparent due to the rise in requirements for a smart grid. This includes more detailed management of power flow forward (towards load) and backward (towards generation), source synchronization in real time, more indepth fault responses, and the use of green energy. The SEL-651R-2 relay is a device that can manage these needs, especially in fault response and synchronization, and is commonly used in systems called microgrids. Microgrids are distribution level systems that are able to operate separated from the main grid, are typically installed much closer to the load(s), and are fed by distributed energy resources (DERs), such as wind, solar or diesel generators. The SEL-651R-2 is normally used in the field with presets operative settings, but the Western Michigan University (WMU) Center for Interdisciplinary Research on Secure, Efficient and Sustainable Energy Technology (WMU InterEnergy Center) wished to test this device in its range of capabilities for microgrid application. A Hardware-In-the-Loop (HIL) testbed was implemented and used through the Real Time Digital Simulator (RTDS) using the RSCAD software to test the SEL-651R-2's use cases and functions. The testbed includes a microgrid with interconnection to a larger main grid, and the relay is meant to control the recloser at the point of common coupling (PCC) between the main grid and microgrid. The testbed shows how basic protections, reclosing, and synchronization checks function when handling faults that affect both the microgrid and the main grid.

24 POWER TRANSMISSION AND DISTRIBUTION↗

Hazard Detection Detector Cards

This report presents a comprehensive summary of five advanced anomaly detection tools developed and deployed by Oak Ridge National Laboratory in support of the VA’s Health Information Technology modernization. These detectors—Order Path Tracker, Trend Watcher, Pain Pointer, Performance Monitor, and Patient Record Flag Detector—leverage statistical and machine learning methods to monitor workflow disruptions, detect anomalies in care sequences and volumes, identify bottlenecks, and track system-level performance metrics across VistA and Millennium systems. All detectors have been integrated into the Health Data Analytics Platform (HDAP), with most having completed deployment and testing using live data from targeted stations in cardiology and oncology domains. This work enhances VA’s capacity for proactive system surveillance, promotes patient safety, and informs data-driven operational improvements across the EHR ecosystem.

97 MATHEMATICS AND COMPUTING↗