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At least 667 records · Page 37

Data assimilation for burnup distribution of PWR with three-dimensional variational algorithm and artificial neutral network

In this paper, a data-assimilation method has been proposed and applied for the burnup distribution of PWR. The burnup distribution is significant to the safety and economy of the reactor, as it is essential for the fuel-reloading design and optimization. Due to the burnup distribution cannot be measured directly during the reactor operation, the numerical simulation is widely applied to determine the burnup distribution. However, there is a deviation between the numerical simulation and the actual core due to some unavoidable factors, such as component manufacturing deviation, uneven flow distribution and so on. These differences would induce the errors to the simulation values of power distributions and hence to the burnup distribution. To address this problem, a data-assimilation method for the burnup distribution has been proposed with the application of power-distribution measurements. In our research, the three-dimensional variational (3DVAR) algorithm was applied for burnup-distribution calibration and the artificial neutral network (ANN) was applied to establish the relation between power distribution and corresponding burnup distribution. As engineering verification, the proposed data-assimilation method has been applied to the CNP1000 PWR operated in China. The numerical results indicated that the burnup-distribution errors can be reduced notably, as the maximum value of relative errors for power distribution can be reduced from 5.35% to 3.96%. (authors)

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

The millisecond magnetar central engine in short GRBs

One favored progenitor model for short duration gamma-ray bursts (GRBs) is the coalescence of two neutron stars (NS–NS). One possible outcome of such a merger would be a rapidly spinning, strongly magnetized neutron star (known as a millisecond magnetar). These magnetars may be “supra-massive,” implying that they would collapse to black holes after losing centrifugal support due to magnetic dipole spin down. By systematically analyzing the Burst Alert Telescope (BAT)-XRT light curves of all short GRBs detected by Swift, we test how consistent the data are with this central engine model of short GRBs. We find that the so-called “extended emission” feature observed with BAT in some short GRBs is fundamentally the same component as the “internal X-ray plateau” observed in many short GRBs, which is defined as a plateau in the light curve followed by a very rapid decay. Based on how likely a short GRB is to host a magnetar, we characterize the entire Swift short GRB sample into three categories: the “internal plateau” sample, the “external plateau” sample, and the “no plateau” sample. Based on the dipole spin-down model, we derive the physical parameters of the putative magnetars and check whether these parameters are consistent with expectations from the magnetar central engine model. The derived magnetar surface magnetic field B{sub p} and the initial spin period P{sub 0} fall into a reasonable range. No GRBs in the internal plateau sample have a total energy exceeding the maximum energy budget of a millisecond magnetar. Assuming that the beginning of the rapid fall phase at the end of the internal plateau is the collapse time of a supra-massive magnetar to a black hole, and applying the measured mass distribution of NS–NS systems in our Galaxy, we constrain the neutron star equation of state (EOS). The data suggest that the NS EOS is close to the GM1 model, which has a maximum non-rotating NS mass of M{sub TOV}∼2.37 M{sub ⊙}.

79 ASTRONOMY AND ASTROPHYSICS↗

Brain in situ hybridization maps as a source for reverse-engineering transcriptional regulatory networks: Alzheimer's disease insights

Microarray data have been a valuable resource for identifying transcriptional regulatory relationships among genes. As an example, brain region-specific transcriptional regulatory events have the potential of providing etiological insights into Alzheimer Disease (AD). However, there is often a paucity of suitable brain-region specific expression data obtained via microarrays or other high throughput means. The Allen Brain Atlas in situ hybridization (ISH) data sets (Jones et al., 2009) represent a potentially valuable alternative source of high-throughput brain region-specific gene expression data for such purposes. In this study, Allen BrainAtlasmouse ISH data in the hippocampal fields were extracted, focusing on 508 genes relevant to neurodegeneration. Transcriptional regulatory networkswere learned using three high-performing network inference algorithms. Only 17% of regulatory edges from a network reverse-engineered based on brain region-specific ISH data were also found in a network constructed upon gene expression correlations inmousewhole brain microarrays, thus showing the specificity of gene expression within brain sub-regions. Furthermore, the ISH data-based networks were used to identify instructive transcriptional regulatory relationships. Ncor2, Sp3 and Usf2 form a unique three-party regulatory motif, potentially affecting memory formation pathways. Nfe2l1, Egr1 and Usf2 emerge among regulators of genes involved in AD (e.g. Dhcr24, Aplp2, Tia1, Pdrx1, Vdac1, andSyn2). Further, Nfe2l1, Egr1 and Usf2 are sensitive to dietary factors and could be among links between dietary influences and genes in the AD etiology. Thus, this approach of harnessing brain region-specific ISH data represents a rare opportunity for gleaning unique etiological insights for diseases such as AD.

59 BASIC BIOLOGICAL SCIENCES↗

An entropy-based debiasing approach to quantifying experimental coverage for novel applications of interest in the nuclear community

This manuscript proposes a novel information-theoretic approach to the quantification of experimental relevance, i.e., coverage, to achieve optimal data assimilation results for nuclear engineering applications. Specifically, this work posits the need for a new metric, called coverage (q C ) of an application’s quantity of interest, i.e., eigenvalue or power peaking for an advanced reactor concept, defined herein as the theoretically maximum achievable reduction in the quantity’s uncertainty given measurements from a pool of experiments in a manner that is independent of the data assimilation procedure employed. Currently, reduction in a quantity’s uncertainty is strongly biased by the underlying assumptions of the assimilation procedure to account for the under-determined nature of such problems and the similarity criterion employed to identify relevant experiments. To address this challenge, this work has developed a coverage metric, q C , based on mutual information, which establishes a new conceptual framework for assessing coverage, one that is independent of the model parameters and responses degree of variations in both the experimental and application domains, i.e., linear vs non-linear, and their prior uncertainty distributions, i.e., Gaussian vs. non-Gaussian. The q C is an entropic measure capable of addressing coverage for general nonlinear problems with non-Gaussian uncertainties and inclusive of the measurement uncertainties from multiple experiments. Numerical experiments from manufactured analytical problems as well as a set of benchmarks from the ICSBEP handbook are employed to demonstrate its theoretical and practical performance as compared to the c k -based experiment selection methodology, commonly employed in the neutronic community. The manuscript then employs other well-known adaptations to existing data assimilation methodologies for nonlinear and non-Gaussian problems capable of achieving the coverage posited by q C .

Bayesian data assimilation↗

DOE FAIR Surrogate Benchmarks Supporting AI and Simulation Research (SBI Surrogate Benchmark Initiative) (Final Report)

Computational Science is being revolutionized by integrating AI and simulation and, in particular, by deep learning surrogate models that can replace all or part of traditional large‐scale HPC computations. Such surrogates can achieve remarkable performance improvements, as much as several orders of magnitude, and save both compute time and energy. The Surrogate Benchmark Initiative (SBI) project creates a community repository and FAIR (Findable, Accessible, Interoperable, and Reusable) data ecosystem for HPC application surrogate benchmarks. The SBI team comes from Argonne National Laboratory (ANL), Indiana University (IU), Rutgers University, the University of Tennessee, Knoxville (UTK), and the University of Virginia(UVA). SBI repositories include data, code, and all relevant collateral artifacts, that the science and engineering community needs to use and reuse these data sets and surrogates. SBI repositories generate active research from both participants in SBI and the broader AI and domain science communities. This project develops surrogates that use several different neural nets to learn and quickly infer the results of simulations and data systems and capture them as surrogate benchmarks with a rich set of metadata, covering. Data; Model; Metrics specification; Machine specification; Science, Speed, Power Results, We research FAIR metadata for these benchmarks. We develop application surrogate examples as benchmarks across many fields (ANL, UTK, IU, UVA). We also study non Surrogate benchmarks that have many common features and similar issues regarding FAIRness. We work with MLCommons (UVA, UTK), which is a major machine learning benchmarking activity where we get metadata ontologies, software, and benchmarks, benchmarks have datasets, models, and metadata, and they need a technical framework developed by UTK and Rutgers and deployed by UVA. We study features of Surrogates, including performance, training set size, and uncertainty quantification (Rutgers, UVA and IU).

97 MATHEMATICS AND COMPUTING↗

FAIR Surrogate Benchmarks Supporting AI and Simulation Research (Final Report)

Computational Science is being revolutionized by integrating AI and simulation and, in particular, by deep learning surrogate models that can replace all or part of traditional large‐scale HPC computations. Such surrogates can achieve remarkable performance improvements, as much as several orders of magnitude, and save both compute time and energy. The Surrogate Benchmark Initiative (SBI) project creates a community repository and FAIR (Findable, Accessible, Interoperable, and Reusable) data ecosystem for HPC application surrogate benchmarks. The SBI team comes from Argonne National Laboratory (ANL), Indiana University (IU), Rutgers University, the University of Tennessee, Knoxville (UTK), and the University of Virginia (UVA). SBI repositories include data, code, and all relevant collateral artifacts that the science and engineering community need to use and reuse these data sets and surrogates. SBI repositories generate active research from both the participants in SBI and the broad community of AI and domain scientists. This project develops surrogates that use several different neural nets to learn and quickly infer the results of simulations and data systems and captures them as surrogate benchmarks with a rich set of metadata covering: Data; Model; Metrics specification; Machine specification; and Science, Speed, and Power Results. We research FAIR metadata for these benchmarks. We develop application surrogate examples as benchmarks across many fields (ANL, UTK, IU, UVA). We also study non-Surrogate benchmarks that have many common features and similar issues as regards FAIRness. We work with MLCommons (UVA, UTK), which is a major machine learning benchmarking activity where we get metadata ontologies, software, and benchmarks, Benchmarks have datasets, models, and metadata and they need a technical framework developed by UTK and Rutgers and deployed by UVA. We study features of Surrogates including performance, training set size, and uncertainty quantification (Rutgers, UVA and IU).

97 MATHEMATICS AND COMPUTING↗

Enabling Detailed Energy Analyses via the Technology Performance Exchange: Preprint

One of the key tenets to increasing adoption of energy efficiency solutions in the built environment is improving confidence in energy performance. Current industry practices make extensive use of predictive modeling, often via the use of sophisticated hourly or sub-hourly energy simulation programs, to account for site-specific parameters (e.g., climate zone, hours of operation, and space type) and arrive at a performance estimate. While such methods are highly precise, they invariably provide less than ideal accuracy due to a lack of high-quality, foundational energy performance input data. The Technology Performance Exchange was constructed to allow the transparent sharing of foundational, product-specific energy performance data, and leverages significant, external engineering efforts and a modular architecture to efficiently identify and codify the minimum information necessary to accurately predict product energy performance. This strongly-typed database resource represents a novel solution to a difficult and established problem. One of the most exciting benefits is the way in which the Technology Performance Exchange's application programming interface has been leveraged to integrate contributed foundational data into the Building Component Library. Via a series of scripts, data is automatically translated and parsed into the Building Component Library in a format that is immediately usable to the energy modeling community. This paper (1) presents a high-level overview of the project drivers and the structure of the Technology Performance Exchange; (2) offers a detailed examination of how technologies are incorporated and translated into powerful energy modeling code snippets; and (3) examines several benefits of this robust workflow.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

Smart connected worker edge platform for smart manufacturing: Part 1—Architecture and platform design

Abstract The challenge of sustainably producing goods and services for healthy living on a healthy planet requires simultaneous consideration of economic, societal, and environmental dimensions in manufacturing. Enabling technology for data driven manufacturing paradigms like Smart Manufacturing (a.k.a. Industry 4.0) serve as the technological backbone from which sustainable approaches to manufacturing can be implemented. Unfortunately, these technologies are typically associated with broader and deeper factory automation that is often too expensive and complex for the small and medium sized manufacturers (SMMs) that comprise the majority of manufacturing business in the USA and for whom their most valuable asset are the people whose jobs automation while replace. This paper describes an edge intelligent platform to integrate internet‐of‐things technologies with computing hardware, software, computational workflows for machine learning, and data ingestion, enabling SMMs to transition into smart manufacturing paradigms by leveraging the intelligence of their people. The platform leverages consumer grade electronics and sensors (affordable and portable), customized software with open source software packages (accessible), and existing communication network infrastructures (scalable). The software systems are implemented via Kubernetes orchestration of Docker containerization to ensure scalability and programmability. The platform is adaptive via computational workflow engines that produce information from data by processing with low‐cost edge computing devices while efficiently accessing resources of cloud servers as needed. The proposed edge platform connects workers to technological resources that provide computational intelligence (i.e., silicon‐based sensing and computation for data collection and contextualization) to enable decision making at the edge of advanced manufacturing.

Kim, Yoon G.↗

Energy and emissions saving potential of additive manufacturing: the case of lightweight aircraft components

Additive manufacturing (AM) holds great potential for improving materials efficiency, reducing life-cycle impacts, and enabling greater engineering functionality compared to conventional manufacturing (CM), and AM has been increasingly adopted by aircraft component manufacturers for lightweight, cost-effective designs. This study estimates the net changes in life-cycle primary energy and greenhouse gas emissions associated with AM technologies for lightweight metallic aircraft components through the year 2050, to shed light on the environmental benefits of a shift from CM to AM processes in the U.S. aircraft industry. A systems modeling framework is presented, with integrates engineering criteria, life-cycle environmental data, aircraft fleet stock and fuel use models under different AM adoption scenarios. Estimated fleet-wide life-cycle primary energy savings at most reach 70-173 million GJ/year in 2050, with cumulative savings of 1.2–2.8 billion GJ. Associated cumulative GHG emission reductions were estimated at 92.1–215.0 million metric tons. In addition, thousands of tons of aluminum, titanium and nickel alloys could be potentially saved per year in 2050. The results indicate a significant role of AM technologies in helping society meet its long-term energy use and GHG emissions reduction goals, and highlight barriers and opportunities for AM adoption for the aircraft industry.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

PCAfold 2.0—Novel tools and algorithms for low-dimensional manifold assessment and optimization

We describe an update to our open-source Python package, PCAfold, designed to help researchers generate, analyze and improve low-dimensional data manifolds. In the current version, PCAfold 2.0, we introduce novel tools and algorithms for assessing and optimizing low-dimensional manifolds. This includes a method that generates a “map” of local feature sizes that can help pinpoint researchers to problematic regions on a manifold. We introduce a novel cost function that characterizes the quality of a manifold topology with a single number. We develop two algorithms for feature selection based on principal component analysis (PCA) that use the cost function as an objective function to minimize. We introduce a quantity of interest (QoI)-aware dimensionality reduction strategy where data projections are computed using an artificial neural network and are directly optimized towards representing various projection-independent and projection-dependent QoIs. We also introduce an implementation of partition of unity networks (POUnets) for efficient reconstruction of QoIs from low-dimensional manifolds based on combining neural network classification with localized polynomial regression. Our software can be broadly applicable in all domains of science and engineering that aim to reduce data dimensionality, as well as in the fundamental research on representation learning.

97 MATHEMATICS AND COMPUTING↗

GOOML Big Kahuna Forecast Modeling and Genetic Optimization Files

This submission includes example files associated with the Geothermal Operational Optimization using Machine Learning (GOOML) Big Kahuna fictional power plant, which uses synthetic data to model a fictional power plant. A forecast was produced using the GOOML data model framework and fictional input data, and a genetic optimization is included which determines optimal flash plant parameters. The inputs and outputs associated with the forecast and genetic optimization are included. The input and output files consist of data, configuration files, and plots. A link to the Physics-Guided Neural Networks (phygnn) GitHub repository is also included, which augments a traditional neural network loss function with a generic loss term that can be used to guide the neural network to learn physical or theoretical constraints. phygnn is used by the GOOML framework to help integrate its machine learning models into the relevant physics and engineering applications. Note that the data included in this submission are intended to provide a demonstration of GOOML's capabilities. Additional files that have not been released to the public are needed for users to run these models and reproduce these results. Units can be found in the readme data resource.

15 GEOTHERMAL ENERGY↗

Model-Based Approaches to Generate Knowledge from Data in a Plant Reliability Context

One challenge that nuclear power plant system engineers are facing is continuous generation of an extremely large amount of equipment reliability (ER) data. These data elements come in textual (e.g., condition reports) and numeric (e.g., generated by monitoring systems) forms. They provide system engineers with valuable insights and information by discovering anomalous behaviors or degradation trends, identifying possible causes behind such behaviors and trends, and predicting their direct consequences. This paper directly targets the knowledge generation from ER data by putting “data into context.” We employ model-based system engineering (MBSE) of systems and assets to represent and capture their architecture and functional (i.e., cause-effect) relations. ER data elements are processed by first identifying which of the developed MBSE elements they are referring to. This task is harder for textual data since the information contained in issue or maintenance reports needs to be “understood” by a computational tool. We called this process “knowledge extraction” since our methods extract knowledge from textual data. Last, once numeric and textual ER data elements have been processed and “understood,” we discover possible cause-effect relations among them. This is performed by observing whether a logical connection through the MBSE models exists, and if there is a temporal relationship among them. The logic and temporal are the two main ingredients to perform “machine reasoning” from ER data.

97 - MATHEMATICS AND COMPUTING↗

Multifacets of lossy compression for scientific data in the Joint-Laboratory of Extreme Scale Computing

The Joint Laboratory on Extreme-Scale Computing (JLESC) was initiated at the same time lossy compression for scientific data became an important topic for the scientific communities. The teams involved in the JLESC played and are still playing an important role in developing the research, techniques, methods, and technologies making lossy compression for scientific data a key tool for scientists and engineers. Here, in this paper, we present the evolution of lossy compression for scientific data from 2015, describing the situation before the JLESC started, the evolution of this discipline in the past 8 years (until 2023) through the prism of the JLESC collaborations on this topic and some of the remaining open research questions.

Compression for AI↗

Rapid Automated Annotation and Analysis of N-Glycan Mass Spectrometry Imaging Data Sets Using NGlycDB in METASPACE

Imaging N-glycan spatial distribution in tissues using mass spectrometry imaging (MSI) is emerging as a promising tool in biological and clinical applications. However, there is currently no high throughput tool for visualization and molecular annotation of N-glycans in MSI data, which significantly slows down data processing and hampers the applicability of this approach. In this work, we present how METASPACE, an open-source cloud engine for molecular annotation of MSI data, can be used to automatically annotate, visualize, analyze, and interpret high-resolution mass spectrometry-based spatial N-glycomics data. METASPACE is an emerging tool in spatial metabolomics, but the lack of compatible glycan databases has limited its application for comprehensive N-glycan annotations from MSI datasets. We created NGlycDB, a public database of N-glycans, by adapting available glycan databases. We demonstrate the applicability of NGlycDB in METASPACE by analyzing MALDI-MSI data from formalin-fixed paraffin-embedded (FFPE) human kidney and mouse lung tissue sections. We added NGlycDB to METASPACE for public use, thus facilitating applications of MSI in glycobiology.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Engine Operating Conditions, Fuel Property Effects, and Associated Fuel–Wall Interaction Dependencies of Stochastic Preignition

This work for the Coordinating Research Council (CRC) explores dependencies on the opportunity for fuel to impinge on internal engine surfaces (i.e., fuel–wall impingement) as a function of fuel properties and engine operating conditions and correlates these data with measurements of stochastic preignition (SPI) propensity. SPI rates are directly coupled with laser–induced florescence measurements of dye-doped fuel dilution measurements of the engine lubricant, which provides a surrogate for fuel–wall impingement. Literature suggests that SPI may have several dependencies, one being fuel–wall impingement. However, it remains unknown if fuel-wall impingement is a fundamental predictor and source of SPI or is simply a causational factor of SPI. In this study, these relationships on SPI and fuel-wall impingement are explored using 4 fuels at 8 operating conditions per fuel, for 32 total test points. The fuels were directly injected at two different injection timings: an earlier injection timing that initially targets the piston crown and a later injection timing that targets the cylinder liner. At each injection timing, the engine was operated at both 90°C and 70°C coolant and lubricant temperatures, and 185 and 200 kPa absolute intake manifold pressure. This work serves as an exploratory effort to down select conditions and provide initial fuel properties of interest for a secondary study to explore fuel property specific effects on fuel-wall interaction and SPI propensity. Significant findings from this initial operating condition and fuel property exploratory work are: 1. reduced engine operating coolant and lubricant temperatures, along with 2. retarded injection timings were required to increase SPI propensity. Moreover, at these conditions some fuel specific effects were also observed; specifically, increased ethanol content increased measured dye–wall (i.e., fuel–wall) interaction. However, despite increased dye–wall interaction, the increased volatility of the ethanol containing fuels also reduced the estimated fuel retention in the top-ring zone and associated measured SPI propensity. Thus, the findings of this unique approach to explore relationships between fuel-wall impingement and SPI highlight that SPI propensity is more directly proportional to retained fuel, and not simply fuel–wall impingement. Furthermore, fuel retention was found to be directly influenced by complex fuel property and engine operating condition relationships. Either retarded injection timings and/or increased fuel volatility increased fuel wall-impingement, while less volatile fuels and/or reduced coolant temperatures increased fuel retention. Therefore, for a given operating condition, the data highlights that greater volatile fuels exhibit increased fuel wall impingement without increased fuel retention or SPI propensity, while less volatile fuels could exhibit reduced fuel-wall impingement but increased fuel retention and SPI propensity rates.

33 ADVANCED PROPULSION SYSTEMS↗

FY22 Laboratory Directed Research and Development Annual Report

The Laboratory Directed Research and Development (LDRD) program yields foundational scientific research and development (R&D) essential to growing SRNL’s core competencies, in alignment with SRNL’s Strategic Plan to provide long-term benefits to the Department of Energy (DOE), the National Nuclear Security Administration (NNSA), and other customers and stakeholders. Five strategic goals are outlined in SRNL’s strategic plan: 1) Provide applied science and engineering for EM’s active clean-up sites and LM’s post closure management sites; 2) Provide science-based solutions for gaps identified in nonproliferation strategic vision and support the government in actives impacting national security; 3) Lead ST&E as the central technical authority for processing tritium loaded reservoirs and support production of plutonium pits; 4) Align science and energy security programs by focusing modern modeling, simulation, and data analytics tools on materials engineering and performance applications; 5) Build a workforce for the future.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Spark Channel Dynamics of Electrostatic Discharges (Rev. 1) [Slides]

To model spark discharges, this work implemented, verified, and validated: 1-D radial conservative Lagrangian hydrodynamic scheme (with heat conduction); Eddington/P1 radiative transfer approximation, time-implicit scheme; RLC circuit solver, time-implicit scheme (adaptable to other circuit types). Novel analytics EOS fit for air up to temperatures of ~150,000 K. Novel "seed" electron concept to initialize finite conductivity in spark without pre-heating the air in the channel, as typically used in spark modeling literature. Reasonable, if conservative (from an engineering viewpoint), agreement with experimental data for indirect (circuit) and direct (interferometry) measurements of spark. Many potential avenues of future work: Two-temperature dryodynamics (requires two-temperature EOS development); 2-D axisymmetric geometry for axial (z) variation, modeling delectric electrodes; Kinetic equations for time-dependent charged species populations.

42 ENGINEERING↗

A physics-informed multi-agents model to predict thermo-oxidative/hydrolytic aging of elastomers

This paper introduces a novel physics-informed multi-agents constitutive model to propose prediction in quasi-static constitutive behavior of cross-linked elastomer and the loss of mechanical performance during environmental aging. The presented model is used to simulate the effect of single-mechanism chemical aging (i.e. thermal-inducedor hydrolytic aging) on the behavior of the material in this hybrid framework. Those environmental single-mechanism damages change the polymer matrix over time due to massive chain scission, chain formations, and changing the arrangement of molecules in the polymer matrix. Here we propose a data-driven super-constrained machine-learned engine to represent damage in the polymer matrix and capture the changes in material behavior, including its inelastic features such as Mullins effect and permanent set in the course of aging. We have simplified the 3D stress–strain tensor mapping problem into a small number of super-constrained 1D mapping problems by means of a sequential order reduction. An assembly of multiple replicated conditional neural-network learning-agents (L-agents) is trained to systematically simplify the high-dimensional mapping problem into multiple 1D problems, each represented by a different type of agent. Our hybrid framework is designed to capture the effect of deformation history, aging time, and aging temperature. The model is validated with respect to a comprehensive set of experiments specifically designed to benchmark model capabilities and also against available data in the literature. Thermodynamic consistency and frame independency have been verified. Besides acceptable predictive abilities, a significant reduction of computational cost to predict behavior at multiple states of deformation is the most significant feature of this model.

42 ENGINEERING↗