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At least 1,333 records · Page 74

A Fokker-Planck-Landau collision equation solver on two-dimensional velocity grid and its application to particle-in-cell simulation

An approximate two-dimensional solver of the nonlinear Fokker-Planck-Landau collision operator has been developed using the assumption that the particle probability distribution function is independent of gyroangle in the limit of strong magnetic field. The isotropic one-dimensional scheme developed for nonlinear Fokker-Planck-Landau equation by Buet and Cordier [J. Comput. Phys. 179, 43 (2002)] and for linear Fokker-Planck-Landau equation by Chang and Cooper [J. Comput. Phys. 6, 1 (1970)] have been modified and extended to two-dimensional nonlinear equation. In addition, a method is suggested to apply the new velocity-grid based collision solver to Lagrangian particle-in-cell simulation by adjusting the weights of marker particles and is applied to a five dimensional particle-in-cell code to calculate the neoclassical ion thermal conductivity in a tokamak plasma. Error verifications show practical aspects of the present scheme for both grid-based and particle-based kinetic codes.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

RAY-RAMSES: a code for ray tracing on the fly in N-body simulations

We present a ray tracing code to compute integrated cosmological observables on the fly in AMR N-body simulations. Unlike conventional ray tracing techniques, our code takes full advantage of the time and spatial resolution attained by the N-body simulation by computing the integrals along the line of sight on a cell-by-cell basis through the AMR simulation grid. Moroever, since it runs on the fly in the N-body run, our code can produce maps of the desired observables without storing large (or any) amounts of data for post-processing. We implemented our routines in the RAMSES N-body code and tested the implementation using an example of weak lensing simulation. We analyse basic statistics of lensing convergence maps and find good agreement with semi-analytical methods. The ray tracing methodology presented here can be used in several cosmological analysis such as Sunyaev-Zel'dovich and integrated Sachs-Wolfe effect studies as well as modified gravity. Our code can also be used in cross-checks of the more conventional methods, which can be important in tests of theory systematics in preparation for upcoming large scale structure surveys.

79 ASTRONOMY AND ASTROPHYSICS↗

Feedback Optimization of Incentives for Distribution Grid Services

Energy prices and net power injection limitations regulate the operations in distribution grids and typically ensure that operational constraints are met. Nevertheless, unexpected or prolonged abnormal events could undermine the grid's functioning. During contingencies, customers could contribute effectively to sustaining the network by providing services. Herein this paper proposes an incentive mechanism that promotes users' active participation by essentially altering the energy pricing rule. The incentives are modeled via a linear function whose parameters can be computed by the system operator (SO) by solving an optimization problem. Feedback-based optimization algorithms are then proposed to seek optimal incentives by leveraging measurements from the grid, even in the case when the SO does not have a full grid and customer information. Numerical simulations on a standard testbed validate the proposed approach.

24 POWER TRANSMISSION AND DISTRIBUTION↗

Toward High Fidelity LES Simulations of 5 x 5 PWR Fuel Bundle with Mixing Vane

The present work illustrates one example of a computational fluid dynamics (CFD) application in the nuclear engineering field. Since CFD is one of the most powerful tools available at the actual state of the art that could in principle help and assist the design process, a compromise should be established between the accuracy of the CFD numerical model (RANS - LES - DNS) and the computational cost of the simulations. In this spirit, this work will present the computational results from two different CFD model categories, Large Eddy Simulations (LES) and Reynolds-averaged Navier-Stokes (RANS) models. Both treat the flow turbulence issue in two separate ways, which differ mostly in the resolution of the turbulence statistics and the computational cost. The single-phase hydraulic problem presented involves the steady-state turbulent flow field modelling and resolution around a scaled PWR mixing vane grid, designed by Westinghouse and tested by Texas A and M University. The role of the mixing vane/spacer grid is to enhance the turbulent mixing and hence heat transfer of the core coolant around fuel bundles, thus increasing the departure of nucleate boiling-critical heat flux (DNB-CHF) point, as well as important structural functions for the rods bundles. The authors numerically studied the flow field characteristics at the region downstream of the spacer grids and validated their results to particle imagery velocimetry (PIV) measurements. Dominguez and Hassan performed two-dimensional time resolved PIV (TR-PIV) measurements within a 5 x 5 PWR rod bundle with spacer-grids that utilized a matching index of refraction (MIR) approach. Their averaged data showed a rather uniform direction velocity profile after the spacer grid while the downstream illustrated a no slip wall profile. The available PIV flow field experimental results from Texas A and M show complex structures of the flow field downstream the mixing vanes with the formation of secondary flows that tend to enhance the turbulent heat transfer, due to the mixing vanes geometry itself. Computational results will be validated with the available experimental data.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

Automated ICRF heating surrogate modeling via machine learning

This work introduces automated machine learning workflows that address critical bottlenecks in surrogate model development for Ion Cyclotron Range of Frequencies (ICRF) heating applications. The automated framework includes data analysis tools that transform raw datasets into actionable insights in seconds, replacing weeks of manual exploratory effort and ensuring consistent, reproducible dataset characterization. By integrating advanced hyperparameter optimization (HPO) methods including Bayesian optimization via BoTorch and Tree-structured Parzen Estimators (TPE), the framework significantly reduces model development time from weeks to hours, decreasing computational cost and required expertise, while enabling high-accuracy surrogate models. Compared to traditional hyperparameter scanning (HPS) techniques such as methodical, randomized, and grid searches, HPO methods achieve superior convergence and predictive performance, even when compared to already well-tuned reference models. On NSTX High Harmonic Fast Wave (HHFW) heating datasets, both Random Forest Regressor (RFR) and neural network surrogates demonstrate improved accuracy, achieving R 2 values beyond 0.97 and 0.98, respectively. The results show that while HPO gains are modest for robust architectures like RFR, they become essential for more sensitive models such as neural networks, highlighting the trade-offs across optimization strategies. Through automated workflows that eliminate manual hyperparameter tuning and require minimal ML expertise, this work enables widespread adoption of high-fidelity surrogate models across the fusion community for real-time plasma control, uncertainty quantification, rapid experimental scenario development, and integrated system optimization.

Sanchez-Villar, Alvaro [Princeton Plasma Physics L↗

Modeling and Harmonic Stability of MMC-HVDC With Passive Circulating Current Filters

A modular multilevel converter (MMC) is an emerging converter technology widely used in wind power applications using high-voltage direct current (HVDC) transmission, and it has been largely investigated in medium-voltage solar harvesting as well as electric motor drives. Different from studies dealing with active circulating current control loops, this paper focuses on impedance modeling and harmonic stability studies for MMCs with passive circulating current filters (PCCFs). A power stage circuit including a PCCF is transformed and remodeled to obtain small-signal formulations. This transformation leads to additional high-order matrix computing complexity due to the added impedance subnetwork matrix from the PCCF as well as relevant crossed-frequency impacts. To simplify the computational burden, the proposed model aims to solve one arm equation instead of all six MMC arm equations. To achieve this result, additional challenges occur when the MMC is connected to a renewable energy source instead of the grid voltage, where low-level zero-sequence components might exist in the neutral point of three phases, especially in the case of no integrated advanced modular voltage balancing control, which prevents computational simplification. To overcome this challenge, further impedance matrix adjustments are conducted in this paper to theoretically suppress the impact of zero-sequence harmonics when obtaining small-signal impedance, taking into account the frequency coupling effect. Finally, simulations are carried out to validate the developed impedance model under different operating scenarios. Harmonic stability case studies of MMCs with PCCFs connected to renewable energy current sources are also presented, where frequency-domain stability analyses based on Bode diagrams are compared to time-domain simulation waveforms and FFTs, which validate the effectiveness of the proposed impedance model.

24 POWER TRANSMISSION AND DISTRIBUTION↗

High-order dimensionally-split Cartesian embedded boundary method for non-dissipative schemes

Centered finite-difference schemes are commonly used for high-fidelity turbulent flow simulations in canonical configurations because of their non-dissipative property and computational efficiency. However, their use in flow simulations over complex geometries is limited by the requirements of a structured grid and a stable boundary treatment in the absence of artificial (numerical) dissipation. Cartesian embedded boundary (EB) approaches provide an efficient structured-grid framework to apply difference schemes over complex domains. However, they are often restricted to low orders of accuracy because of numerical instabilities at the embedded boundaries and the issues of small-cell problem that are difficult to address with high-order accuracy. The present work discusses a systematic approach to obtain high-order EB methods with non-dissipative centered schemes in the interior. This approach, based on satisfying the primary and secondary conservation conditions, is employed to derive EB schemes that are up to sixth-order accurate in the interior and fourth-order accurate globally for hyperbolic, parabolic as well as incompletely parabolic problems. The proposed finite-difference discretization is, by construction, dimensionally split and addresses the small-cell problem without any cell/geometry transformations, thus, highly simplifying implementation in a flow solver. Various linear and non-linear numerical tests are performed to evaluate the stability and the accuracy of the proposed EB schemes.

97 MATHEMATICS AND COMPUTING↗

Memory access optimization for particle operations in computational fluid dynamics-discrete element method simulations

Computational Fluid Dynamics - Discrete Element Method is used to model gas-solid systems in several applications in energy, pharmaceutical and petrochemical industries. Computational performance bottlenecks often limit the problem sizes that can be simulated at industrial scale. The data structures used to store several millions of particles in such large-scale simulations have a large memory footprint that does not fit into the processor cache hierarchies on current high-performance-computing platforms, leading to reduced computational performance. This paper specifically addresses this aspect of memory access bottlenecks in industrial scale simulations. The use of space-filling curves to improve memory access patterns is described and their impact on computational performance is quantified in both shared and distributed memory parallelization paradigms. The Morton space filling curve applied to uniform grids and k-dimensional tree partitions are used to reorder the particle data-structure thus improving spatial and temporal locality in memory. The performance impact of these techniques when applied to two benchmark problems, namely the homogeneous-cooling-system and a fluidized-bed, are presented. We report these optimization techniques lead to approximately two-fold performance improvement in particle focused operations such as neighbor-list creation and data-exchange, with ~ 1.5 times overall improvement in a fluidization simulation with 1.27 million particles.

97 MATHEMATICS AND COMPUTING↗

Simulation of Flow in Multi-Scale Porous Media Using the Lattice Boltzmann Method on Quadtree Grids

Abstract The unified lattice Boltzmann model is extended to the quadtree grids for simulation of fluid flow through porous media. The unified lattice Boltzmann model is capable of simulating flow in porous media at various scales or in systems where multiple length scales coexist. The quadtree grid is able to provide a high-resolution approximation to complex geometries, with great flexibility to control local grid density. The combination of the unified lattice Boltzmann model and the quadtree grids results in an efficient numerical model for calculating permeability of multi-scale porous media. The model is used for permeability calculation for three systems, including a fractured system used in a previous study, a Voronoi tessellation system, and a computationally-generated pore structure of fractured shale. The results are compared with those obtained using the conventional lattice Boltzmann model or the unified lattice Boltzmann model on rectangular or uniform square grid. It is shown that the proposed model is an accurate and efficient tool for flow simulation in multi-scale porous media. In addition, for the fractured shale, the contribution of flow in matrix and fractures to the overall permeability of the fractured shale is studied systematically.

Earth Sciences↗

A priori analysis on deep learning of subgrid-scale parameterizations for Kraichnan turbulence

In the present study, we investigate different data-driven parameterizations for large eddy simulation of two-dimensional turbulence in the a priori settings. These models utilize resolved flow field variables on the coarser grid to estimate the subgrid-scale stresses. We use data-driven closure models based on localized learning that employs a multilayer feedforward artificial neural network with point-to-point mapping and neighboring stencil data mapping, and convolutional neural network fed by data snapshots of the whole domain. The performance of these data-driven closure models is measured through a probability density function and is compared with the dynamic Smagorinksy model (DSM). The quantitative performance is evaluated using the cross-correlation coefficient between the true and predicted stresses. We analyze different frameworks in terms of the amount of training data, selection of input and output features, their characteristics in modeling with accuracy, and training and deployment computational time. We also demonstrate computational gain that can be achieved using the intelligent eddy viscosity model that learns eddy viscosity computed by the DSM instead of subgrid-scale stresses. Here, we detail the hyperparameters optimization of these models using the grid search algorithm.

42 ENGINEERING↗

Expanding the computational frontier of multi-scale atmospheric simulation to advance understanding of low cloud / climate feedbacks. Final Report

This is an accomplishment final report that details the work that the co-PI Marat Khairoutdinov has done in support of the project goals and objectives. It described his work on optimizing the performance of UP-CAM model, tuning its parameters to improve results, and his work on a new approach to superparameterization using dynamically adjusting grid spacing that can potentially improve the global simulations of clouds.

58 GEOSCIENCES↗

Implicit mesh discontinuous Galerkin methods and interfacial gauge methods for high-order accurate interface dynamics, with applications to surface tension dynamics, rigid body fluid–structure interaction, and free surface flow: Part I

In this two-part paper, a high-order accurate implicit mesh discontinuous Galerkin (dG) framework is developed for fluid interface dynamics, facilitating precise computation of interfacial fluid flow in evolving geometries. The framework uses implicitly defined meshes—wherein a reference quadtree or octree grid is combined with an implicit representation of evolving interfaces and moving domain boundaries—and allows physically prescribed interfacial jump conditions to be imposed or captured with high-order accuracy. Part one discusses the design of the framework, including: (i) high-order quadrature for implicitly defined elements and faces; (ii) high-order accurate discretisation of scalar and vector-valued elliptic partial differential equations with interfacial jumps in ellipticity coefficient, leading to optimal-order accuracy in the maximum norm and discrete linear systems that are symmetric positive (semi)definite; (iii) the design of incompressible fluid flow projection operators, which except for the influence of small penalty parameters, are discretely idempotent; and (iv) the design of geometric multigrid methods for elliptic interface problems on implicitly defined meshes and their use as preconditioners for the conjugate gradient method. Also discussed is a variety of aspects relating to moving interfaces, including: (v) dG discretisations of the level set method on implicitly defined meshes; (vi) transferring state between evolving implicit meshes; (vii) preserving mesh topology to accurately compute temporal derivatives; (viii) high-order accurate reinitialisation of level set functions; and (ix) the integration of adaptive mesh refinement. In part two, several applications of the implicit mesh dG framework in two and three dimensions are presented, including examples of single phase flow in nontrivial geometry, surface tension-driven two phase flow with phase-dependent fluid density and viscosity, rigid body fluid–structure interaction, and free surface flow. A class of techniques known as interfacial gauge methods is adopted to solve the corresponding incompressible Navier–Stokes equations, which, compared to archetypical projection methods, have a weaker coupling between fluid velocity, pressure, and interface position, and allow high-order accurate numerical methods to be developed more easily. Convergence analyses conducted throughout the work demonstrate high-order accuracy in the maximum norm for all of the applications considered; for example, fourth-order spatial accuracy in fluid velocity, pressure, and interface location is demonstrated for surface tension-driven two phase flow in 2D and 3D. Specific application examples include: vortex shedding in nontrivial geometry, capillary wave dynamics revealing fine-scale flow features, falling rigid bodies tumbling in unsteady flow, and free surface flow over a submersed obstacle, as well as high Reynolds number soap bubble oscillation dynamics and vortex shedding induced by a type of Plateau–Rayleigh instability in water ripple free surface flow. In conclusion, these last two examples compare numerical results with experimental data and serve as an additional means of validation; they also reveal physical phenomena not visible in the experiments, highlight how small-scale interfacial features develop and affect macroscopic dynamics, and demonstrate the wide range of spatial scales often at play in interfacial fluid flow.

97 MATHEMATICS AND COMPUTING↗

Implicit mesh discontinuous Galerkin methods and interfacial gauge methods for high-order accurate interface dynamics, with applications to surface tension dynamics, rigid body fluid–structure interaction, and free surface flow: Part II

Here, in this two-part paper, a high-order accurate implicit mesh discontinuous Galerkin (dG) framework is developed for fluid interface dynamics, facilitating precise computation of interfacial fluid flow in evolving geometries. The framework uses implicitly defined meshes—wherein a reference quadtree or octree grid is combined with an implicit representation of evolving interfaces and moving domain boundaries—and allows physically prescribed interfacial jump conditions to be imposed or captured with high-order accuracy. Part one discusses the design of the framework, including: (i) high-order quadrature for implicitly defined elements and faces; (ii) high-order accurate discretisation of scalar and vector-valued elliptic partial differential equations with interfacial jumps in ellipticity coefficient, leading to optimal-order accuracy in the maximum norm and discrete linear systems that are symmetric positive (semi)definite; (iii) the design of incompressible fluid flow projection operators, which except for the influence of small penalty parameters, are discretely idempotent; and (iv) the design of geometric multigrid methods for elliptic interface problems on implicitly defined meshes and their use as preconditioners for the conjugate gradient method. Also discussed is a variety of aspects relating to moving interfaces, including: (v) dG discretisations of the level set method on implicitly defined meshes; (vi) transferring state between evolving implicit meshes; (vii) preserving mesh topology to accurately compute temporal derivatives; (viii) high-order accurate reinitialisation of level set functions; and (ix) the integration of adaptive mesh refinement. In part two, several applications of the implicit mesh dG framework in two and three dimensions are presented, including examples of single phase flow in nontrivial geometry, surface tension-driven two phase flow with phase-dependent fluid density and viscosity, rigid body fluid–structure interaction, and free surface flow. A class of techniques known as interfacial gauge methods is adopted to solve the corresponding incompressible Navier–Stokes equations, which, compared to archetypical projection methods, have a weaker coupling between fluid velocity, pressure, and interface position, and allow high-order accurate numerical methods to be developed more easily. Convergence analyses conducted throughout the work demonstrate high-order accuracy in the maximum norm for all of the applications considered; for example, fourth-order spatial accuracy in fluid velocity, pressure, and interface location is demonstrated for surface tension-driven two phase flow in 2D and 3D. Specific application examples include: vortex shedding in nontrivial geometry, capillary wave dynamics revealing fine-scale flow features, falling rigid bodies tumbling in unsteady flow, and free surface flow over a submersed obstacle, as well as high Reynolds number soap bubble oscillation dynamics and vortex shedding induced by a type of Plateau–Rayleigh instability in water ripple free surface flow. In these last two examples compare numerical results with experimental data and serve as an additional means of validation; they also reveal physical phenomena not visible in the experiments, highlight how small-scale interfacial features develop and affect macroscopic dynamics, and demonstrate the wide range of spatial scales often at play in interfacial fluid flow.

97 MATHEMATICS AND COMPUTING↗

RACORO continental boundary layer cloud investigations. Part I: Case study development and ensemble large-scale forcings

Observation-based modeling case studies of continental boundary layer clouds have been developed to study cloudy boundary layers, aerosol influences upon them, and their representation in cloud- and global-scale models. Three 60-hour case study periods span the temporal evolution of cumulus, stratiform, and drizzling boundary layer cloud systems, representing mixed and transitional states rather than idealized or canonical cases. Based on in-situ measurements from the RACORO field campaign and remote-sensing observations, the cases are designed with a modular configuration to simplify use in large-eddy simulations (LES) and single-column models. Aircraft measurements of aerosol number size distribution are fit to lognormal functions for concise representation in models. Values of the aerosol hygroscopicity parameter, κ, are derived from observations to be ~0.10, which are lower than the 0.3 typical over continents and suggestive of a large aerosol organic fraction. Ensemble large-scale forcing datasets are derived from the ARM variational analysis, ECMWF forecasts, and a multi-scale data assimilation system. The forcings are assessed through comparison of measured bulk atmospheric and cloud properties to those computed in 'trial' large-eddy simulations, where more efficient run times are enabled through modest reductions in grid resolution and domain size compared to the full-sized LES grid. Simulations capture many of the general features observed, but the state-of-the-art forcings were limited at representing details of cloud onset, and tight gradients and high-resolution transients of importance. Methods for improving the initial conditions and forcings are discussed. The cases developed are available to the general modeling community for studying continental boundary clouds.

54 ENVIRONMENTAL SCIENCES↗

Impact of artificial topological changes on flow and transport through fractured media due to mesh resolution

Abstract We performed a set of numerical simulations to characterize the interplay of fracture network topology, upscaling, and mesh refinement on flow and transport properties in fractured porous media. We generated a set of generic three-dimensional discrete fracture networks at various densities, where the radii of the fractures were sampled from a truncated power-law distribution, and whose parameters were loosely based on field site characterizations. We also considered five network densities, which were defined using a dimensionless version of density based on percolation theory. Once the networks were generated, we upscaled them into a single continuum model using the upscaled discrete fracture matrix model presented by Sweeney et al. (2019). We considered steady, isothermal pressure-driven flow through each domain and then simulated conservative, decaying, and adsorbing tracers using a pulse injection into the domain. For each simulation, we calculated the effective permeability and solute breakthrough curves as quantities of interest to compare between network realizations. We found that selecting a mesh resolution such that the global topology of the upscaled mesh matches the fracture network is essential. If the upscaled mesh has a connected pathway of fracture (higher permeability) cells but the fracture network does not, then the estimates for effective permeability and solute breakthrough will be incorrect. False connections cannot be eliminated entirely, but they can be managed by choosing appropriate mesh resolution and refinement for a given network. Adopting octree meshing to obtain sufficient levels of refinement leads to fewer computational cells (up to a 90% reduction in overall cell count) when compared to using a uniform resolution grid and can result in a more accurate continuum representation of the true fracture network.

58 GEOSCIENCES↗

Multi-area parameter error identification for large power systems

Power grid model parameters may contain errors due to various reasons. Detecting and correcting parameter errors typically requires significant computational effort due to the size and complexity of the parameter database. While the normalized Lagrange multiplier (NLM) method can effectively detect, identify and correct parameter errors, its computational burden could rapidly grow with increasing system size. This paper addresses this issue by proposing a multi-area parameter error identification method. Each area has its own outlier detection tool for detecting the incorrect parameters and measurements within the area. On the other hand, due to the reduced redundancy at area boundaries, parameter errors on branches incident to boundary buses may not be detected. Such errors are subsequently detected by a coordination level estimator completing the system-wide parameter detection procedure. In conclusion, performance of the developed method is demonstrated using the IEEE 118-bus and 2000-bus Texas synthetic systems.

24 POWER TRANSMISSION AND DISTRIBUTION↗

A physics-driven Σ-Y atomization model for heavy-duty engine simulations

The atomization of a liquid jet is a multi-scale and multi-physics problem of interest for many engineering applications. Particularly, it drives the fuel-oxidizer mixing and dictates the efficiency of combustion engines. High-fidelity multi-phase simulations remain challenging due to the excessive computational cost required to capture all the atomization scales. Thus, atomization models are necessary to represent sub-grid liquid structures. Here, in this work, a modified Σ-Y model in the context of Eulerian-Lagrangian Spray Atomization (ELSA) is used to transport the surface area density of the spray. The model's predictive performance is assessed under various operating conditions relevant to heavy-duty engines using the Engine Combustion Network (ECN) Spray C and Spray D research-grade injectors. The classic droplet collision formulation of the Σ-Y model alone does not replicate the response of the measured spray surface area to changes in injector, ambient pressure, and injection pressure, requiring individual tuning of the model's parameters. Instead, a transition between dense and dilute spray breakup mechanisms is proposed in terms of the average droplet spacing. The collision breakup mechanism represents the dilute spray, whereas the droplet size in the dense spray is driven by a competition between the integral scale of turbulence and the balance between the turbulent kinetic energy and the surface energy of the droplets. Such an approach minimizes the requirements for model tuning. Moreover, the role of the constants of a compressible standard k-ε RANS model is assessed in the injector's internal flow and external spray simulation framework, and an updated set is proposed. The results are validated against x-ray radiography and Ultra-Small Angle X-ray Scattering (USAXS) data and highlight the predictive capabilities of the proposed physics-driven Σ-Y model, which is compatible with engine simulation turnaround times.

42 ENGINEERING↗

Abruptness of Cascade Failures in Power Grids

Electric power-systems are one of the most important critical infrastructures. In recent years, they have been exposed to extreme stress due to the increasing demand, the introduction of distributed renewable energy sources, and the development of extensive interconnections. We investigate the phenomenon of abrupt breakdown of an electric power-system under two scenarios: load growth (mimicking the ever-increasing customer demand) and power fluctuations (mimicking the effects of renewable sources). Our results on real, realistic and synthetic networks indicate that increasing the system size causes breakdowns to become more abrupt; in fact, mapping the system to a solvable statistical-physics model indicates the occurrence of a first order transition in the large size limit. Such an enhancement for the systemic risk failures (black-outs) with increasing network size is an effect that should be considered in the current projects aiming to integrate national power-grids into ‘‘super-grids’’.

42 ENGINEERING↗