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The purpose of this study is to compare the prediction models for half-cell potential (HCP) of RCC slabs cathodically protected using pure magnesium anodes and subjected to chloride ingress.The models for HCP using 1,134 data set values based on experimentation are developed and compared using ANFIS, artificial neural network (ANN) and integrated ANN-GA algorithms.

In this study, RCC slabs, 1000 mm × 1000 mm × 100 mm were cast. Five slabs were cast with 3.5% NaCl by weight of cement, and five more were cast without NaCl. The distance of the point under consideration from the anode in the x- and y-axes, temperature, relative humidity and age of the slab in days were the input parameters, while the HCP values with reference to the Standard Calomel Electrode were the output. Experimental values consisting of 80 HCP values per slab per day were collected for 270 days and were averaged for both cases to generate the prediction model.

In this study, the premise and consequent parameters are trained, validated and tested using ANFIS, ANN and by using ANN as fitness function of GA. The MAPE, RMSE and MAE of the ANFIS model were 24.57, 1702.601 and 871.762, respectively. Amongst the ANN algorithms, Levenberg−Marquardt (LM) algorithm outperforms the other methods, with an overall R-value of 0.983. GA with ANN as the objective function proves to be the best means for the development of prediction model.

Based on the original experimental values, the performance of ANFIS, ANN and GA with ANN as objective function provides excellent results.

Predicting commodity futures trading volumes represents an important matter to policymakers and a wide spectrum of market participants. The purpose of this study is to concentrate on the energy sector and explore the trading volume prediction issue for the thermal coal futures traded in Zhengzhou Commodity Exchange in China with daily data spanning January 2016–December 2020.

The nonlinear autoregressive neural network is adopted for this purpose and prediction performance is examined based upon a variety of settings over algorithms for model estimations, numbers of hidden neurons and delays and ratios for splitting the trading volume series into training, validation and testing phases.

A relatively simple model setting is arrived at that leads to predictions of good accuracy and stabilities and maintains small prediction errors up to the 99.273th quantile of the observed trading volume.

The results could, on one hand, serve as standalone technical trading volume predictions. They could, on the other hand, be combined with different (fundamental) prediction results for forming perspectives of trading trends and carrying out policy analysis.

The premise of this research is that the coupling of reinforcement learning algorithms and computational dynamics can be used to design efficient control strategies and to improve the cooling of hot components by quenching, a process that is classically carried out based on professional experience and trial-error methods. Feasibility and relevance are assessed on various 2-D numerical experiments involving boiling problems simulated by a phase change model. The purpose of this study is then to integrate reinforcement learning with boiling modeling involving phase change to optimize the cooling process during quenching.

The proposed approach couples two state-of-the-art in-house models: a single-step proximal policy optimization (PPO) deep reinforcement learning (DRL) algorithm (for data-driven selection of control parameters) and an in-house stabilized finite elements environment combining variational multi-scale (VMS) modeling of the governing equations, immerse volume method and multi-component anisotropic mesh adaptation (to compute the numerical reward used by the DRL agent to learn), that simulates boiling after a phase change model formulated after pseudo-compressible Navier–Stokes and heat equations.

Relevance of the proposed methodology is illustrated by controlling natural convection in a closed cavity with aspect ratio 4:1, for which DRL alleviates the flow-induced enhancement of heat transfer by approximately 20%. Regarding quenching applications, the DRL algorithm finds optimal insertion angles that adequately homogenize the temperature distribution in both simple and complex 2-D workpiece geometries, and improve over simpler trial-and-error strategies classically used in the quenching industry.

To the best of the authors’ knowledge, this constitutes the first attempt to achieve DRL-based control of complex heat and mass transfer processes involving boiling. The obtained results have important implications for the quenching cooling flows widely used to achieve the desired microstructure and material properties of steel, and for which differential cooling in various zones of the quenched component will yield irregular residual stresses that can affect the serviceability of critical machinery in sensitive industries.

Parameter estimation in complex engineering structures typically necessitates repeated calculations using simulation models, leading to significant computational costs. This paper aims to introduce an adaptive multi-output Gaussian process (MOGP) surrogate model for parameter estimation in time-consuming models.

The MOGP surrogate model is established to replace the computationally expensive finite element method (FEM) analysis during the estimation process. We propose a novel adaptive sampling method for MOGP inspired by the traditional expected improvement (EI) method, aiming to reduce the number of required sample points for building the surrogate model. Two mathematical examples and an application in the back analysis of a concrete arch dam are tested to demonstrate the effectiveness of the proposed method.

The numerical results show that the proposed method requires a relatively small number of sample points to achieve accurate estimates. The proposed adaptive sampling method combined with the MOGP surrogate model shows an obvious advantage in parameter estimation problems involving expensive-to-evaluate models, particularly those with high-dimensional output.

A novel adaptive sampling method for establishing the MOGP surrogate model is proposed to accelerate the procedure of solving large-scale parameter estimation problems. This modified adaptive sampling method, based on the traditional EI method, is better suited for multi-output problems, making it highly valuable for numerous practical engineering applications.

At present, research on the preparation of corrosion inhibitors using modified pyrimidine derivatives is still blank. The purpose of this study is to synthesize a new cationic mercaptopyrimidine derivative quaternary ammonium salt, known as DTEBTAC, that can be used as a corrosion inhibitor to slow down the metal corrosion problems encountered in oil and gas extraction processes.

A new corrosion inhibitor was synthesized by the reaction of anti-Markovnikov addition and nucleophilic substitution. The weight loss method was used to study the corrosion inhibition characteristics of synthetic corrosion inhibitors. Electrochemical and surface topography analyses were used to determine the type of inhibitor and the adsorption state formed on the surface of N80 steel. Molecular dynamics simulations and quantum chemistry calculations were used to investigate the synthetic corrosion inhibitor’s molecular structure and corrosion inhibition mechanisms.

The results of the weight loss method show that when the dosage of DTEBTAC is 1%, the corrosion rate of N80 steel in hydrochloric acid solution at 90? is 3.3325 g m-2 h-1. Electrochemical and surface morphology analysis show that DTEBTAC can form a protective layer on the surface of N80 steel, and is a hybrid corrosion inhibitor that can inhibit the main anode. Quantum chemical parameter calculation shows that DTEBTAC has a better corrosion inhibition effect than DTP. The molecular dynamics simulation results show that DTEBTAC has stronger binding energy than DTP, and forms a network packing structure through hydrogen bonding, and the adsorption stability is enhanced.

A novel cationic mercaptopyrimidine derivative quaternium-ammonium salt corrosion inhibitor was designed and provided. Compared with the prior art, the preparation method of the synthesized mercaptopyrimidine derivative quaternary ammonium salt corrosion inhibitor is simple, and the presence of nitrogen-positive ions, sulfur atoms and nitrogen-rich atoms has an obvious corrosion inhibition effect, which can be used to inhibit metal corrosion during oil and gas field exploitation. It not only expands the application field of new materials but also provides a new idea for the research and development of new corrosion inhibitors.

Simulation-based digital twins represent an effort to provide high-accuracy real-time insights into operational physical processes. However, the computation time of many multi-physical simulation models is far from real-time. It might even exceed sensible time frames to produce sufficient data for training data-driven reduced-order models. This study presents TwinLab, a framework for data-efficient, yet accurate training of neural-ODE type reduced-order models with only two data sets.

Correlations between test errors of reduced-order models and distinct features of corresponding training data are investigated. Having found the single best data sets for training, a second data set is sought with the help of similarity and error measures to enrich the training process effectively.

Adding a suitable second training data set in the training process reduces the test error by up to 49% compared to the best base reduced-order model trained only with one data set. Such a second training data set should at least yield a good reduced-order model on its own and exhibit higher levels of dissimilarity to the base training data set regarding the respective excitation signal. Moreover, the base reduced-order model should have elevated test errors on the second data set. The relative error of the time series ranges from 0.18% to 0.49%. Prediction speed-ups of up to a factor of 36,000 are observed.

The proposed computational framework facilitates the automated, data-efficient extraction of non-intrusive reduced-order models for digital twins from existing simulation models, independent of the simulation software.

To improve the speed and accuracy of turbine blade film cooling design process, the most advanced deep learning models were introduced into this study to investigate the most suitable define for prediction work. This paper aims to create a generative surrogate model that can be applied on multi-objective optimization problems.

The latest backbone in the field of computer vision (Swin-Transformer, 2021) was introduced and improved as the surrogate function for prediction of the multi-physics field distribution (film cooling effectiveness, pressure, density and velocity). The basic samples were generated by Latin hypercube sampling method and the numerical method adopt for the calculation was validated experimentally at first. The training and testing samples were calculated at experimental conditions. At last, the surrogate model predicted results were verified by experiment in a linear cascade.

The results indicated that comparing with the Multi-Scale Pix2Pix Model, the Swin-Transformer U-Net model presented higher accuracy and computing speed on the prediction of contour results. The computation time for each step of the Swin-Transformer U-Net model is one-third of the original model, especially in the case of multi-physics field prediction. The correlation index reached more than 99.2% and the first-order error was lower than 0.3% for multi-physics field. The predictions of the data-driven surrogate model are consistent with the predictions of the computational fluid dynamics results, and both are very close to the experimental results. The application of the Swin-Transformer model on enlarging the different structure samples will reduce the cost of numerical calculations as well as experiments.

The number of U-Net layers and sample scales has a proper relationship according to equation (8). Too many layers of U-Net will lead to unnecessary nonlinear variation, whereas too few layers will lead to insufficient feature extraction. In the case of Swin-Transformer U-Net model, incorrect number of U-Net layer will reduce the prediction accuracy. The multi-scale Pix2Pix model owns higher accuracy in predicting a single physical field, but the calculation speed is too slow. The Swin-Transformer model is fast in prediction and training (nearly three times faster than multi Pix2Pix model), but the predicted contours have more noise. The neural network predicted results and numerical calculations are consistent with the experimental distribution.

This paper creates a generative surrogate model that can be applied on multi-objective optimization problems. The generative adversarial networks using new backbone is chosen to adjust the output from single contour to multi-physics fields, which will generate more results simultaneously than traditional surrogate models and reduce the time-cost. And it is more applicable to multi-objective spatial optimization algorithms. The Swin-Transformer surrogate model is three times faster to computation speed than the Multi Pix2Pix model. In the prediction results of multi-physics fields, the prediction results of the Swin-Transformer model are more accurate.