Advanced Theory and Simulations最新文献

{"title":"Machine Learning for Sulfide Stress Cracking Prediction","authors":"Xi Wang, Amar Deep Pathak, David Thanoon","doi":"10.1002/adts.202500194","DOIUrl":"https://doi.org/10.1002/adts.202500194","url":null,"abstract":"Stress Corrosion Cracking (SCC) poses a significant threat to production systems, arising from the interaction of tensile stresses and corrosive environments. Sulfide Stress Cracking (SSC), particularly associated with hydrogen sulfide (H<jats:sub>2</jats:sub>S) gas, is highly relevant in oil and gas production. Corrosion‐resistant alloys, such as Duplex Stainless Steel (DSS), help mitigate this issue. However, understanding the impact of environmental conditions and loads on SSC in DSS remains challenging. Existing standards lack insights into specific environmental factors. Modeling SSC using physics‐based approaches is computationally intensive. To address this, a novel machine learning (ML) framework utilizing decision tree‐based models and probabilistic graphical models (Bayesian network, BN) is developed. The dataset for DSS is curated from published literature, and data imbalance is addressed using advanced data curation methods. The framework aims to unravel the intricate factors driving SSC in DSS, providing an accurate predictive tool for the oil and gas industry.","PeriodicalId":7219,"journal":{"name":"Advanced Theory and Simulations","volume":"134 1","pages":""},"PeriodicalIF":3.3,"publicationDate":"2025-06-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144237676","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Ultrafast Radiative Recombination Engineering in InGaN/GaN Quantum Wells through Temperature, Alloy Fraction and Layer's Width Tuning for Photonics","authors":"Redouane En-nadir","doi":"10.1002/adts.202500282","DOIUrl":"https://doi.org/10.1002/adts.202500282","url":null,"abstract":"Radiative lifetime (RT) on the picosecond to femtosecond scale plays a key role in enabling ultrafast optoelectronic technologies. This study investigates the RT in InGaN/GaN quantum wells (QWs), focusing on the effects of well thickness, temperature, and indium (In) composition using the finite element method. The results show a significant dependence of RT on these parameters for both subband (ISB) and band-to-band (BTB) recombination. Specifically, radiative lifetime for ISB transitions extend to nanosecond timescales, with values reaching up to 6 ns, reflecting reduced wave function overlap and lower recombination probabilities at higher temperatures. In contrast, BTB recombination exhibits much faster dynamics in the fs range, with lifetimes as short as 10 fs, which is critical for high-speed applications. This research highlights the importance of precisely controlling QWs parameters, as well as internal and external factors, to optimize device performance in emerging InGaN-based ultrafast technologies.","PeriodicalId":7219,"journal":{"name":"Advanced Theory and Simulations","volume":"62 1","pages":""},"PeriodicalIF":3.3,"publicationDate":"2025-06-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144228994","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Energy Symmetry Breaking of Dirac and Weyl Fermions in Magnetized Spinning Conical Geometries","authors":"Abdullah Guvendi, Omar Mustafa","doi":"10.1002/adts.202500451","DOIUrl":"https://doi.org/10.1002/adts.202500451","url":null,"abstract":"The dynamics of relativistic fermions are studied in the presence of an out-of-plane magnetic field and a spinning point-like defect, deriving exact solutions. These results show that the defect's spin (&lt;span data-altimg=\"/cms/asset/04eda720-fc5d-4f6d-b163-e228ebfa7d15/adts70058-math-0001.png\"&gt;&lt;/span&gt;&lt;mjx-container ctxtmenu_counter=\"222\" ctxtmenu_oldtabindex=\"1\" jax=\"CHTML\" role=\"application\" sre-explorer- style=\"font-size: 103%; position: relative;\" tabindex=\"0\"&gt;&lt;mjx-math aria-hidden=\"true\" location=\"graphic/adts70058-math-0001.png\"&gt;&lt;mjx-semantics&gt;&lt;mjx-mi data-semantic-annotation=\"clearspeak:simple\" data-semantic-font=\"italic\" data-semantic- data-semantic-role=\"greekletter\" data-semantic-speech=\"pi\" data-semantic-type=\"identifier\"&gt;&lt;mjx-c&gt;&lt;/mjx-c&gt;&lt;/mjx-mi&gt;&lt;/mjx-semantics&gt;&lt;/mjx-math&gt;&lt;mjx-assistive-mml display=\"inline\" unselectable=\"on\"&gt;&lt;math altimg=\"urn:x-wiley:25130390:media:adts70058:adts70058-math-0001\" display=\"inline\" location=\"graphic/adts70058-math-0001.png\" xmlns=\"http://www.w3.org/1998/Math/MathML\"&gt;&lt;semantics&gt;&lt;mi data-semantic-=\"\" data-semantic-annotation=\"clearspeak:simple\" data-semantic-font=\"italic\" data-semantic-role=\"greekletter\" data-semantic-speech=\"pi\" data-semantic-type=\"identifier\"&gt;ϖ&lt;/mi&gt;$varpi$&lt;/annotation&gt;&lt;/semantics&gt;&lt;/math&gt;&lt;/mjx-assistive-mml&gt;&lt;/mjx-container&gt;) breaks the symmetry between fermion and antifermion energy levels around zero energy. This symmetry breaking is influenced by the magnetic field strength (&lt;span data-altimg=\"/cms/asset/4665fd11-5921-4db2-84b0-373f076b87c5/adts70058-math-0002.png\"&gt;&lt;/span&gt;&lt;mjx-container ctxtmenu_counter=\"223\" ctxtmenu_oldtabindex=\"1\" jax=\"CHTML\" role=\"application\" sre-explorer- style=\"font-size: 103%; position: relative;\" tabindex=\"0\"&gt;&lt;mjx-math aria-hidden=\"true\" location=\"graphic/adts70058-math-0002.png\"&gt;&lt;mjx-semantics&gt;&lt;mjx-msub data-semantic-children=\"0,1\" data-semantic- data-semantic-role=\"latinletter\" data-semantic-speech=\"script upper B Subscript ring\" data-semantic-type=\"subscript\"&gt;&lt;mjx-mi data-semantic-annotation=\"clearspeak:simple\" data-semantic-font=\"script\" data-semantic- data-semantic-parent=\"2\" data-semantic-role=\"latinletter\" data-semantic-type=\"identifier\"&gt;&lt;mjx-c&gt;&lt;/mjx-c&gt;&lt;/mjx-mi&gt;&lt;mjx-script style=\"vertical-align: -0.15em; margin-left: -0.02em;\"&gt;&lt;mjx-mo data-semantic- data-semantic-parent=\"2\" data-semantic-role=\"multiplication\" data-semantic-type=\"operator\" size=\"s\"&gt;&lt;mjx-c&gt;&lt;/mjx-c&gt;&lt;/mjx-mo&gt;&lt;/mjx-script&gt;&lt;/mjx-msub&gt;&lt;/mjx-semantics&gt;&lt;/mjx-math&gt;&lt;mjx-assistive-mml display=\"inline\" unselectable=\"on\"&gt;&lt;math altimg=\"urn:x-wiley:25130390:media:adts70058:adts70058-math-0002\" display=\"inline\" location=\"graphic/adts70058-math-0002.png\" xmlns=\"http://www.w3.org/1998/Math/MathML\"&gt;&lt;semantics&gt;&lt;msub data-semantic-=\"\" data-semantic-children=\"0,1\" data-semantic-role=\"latinletter\" data-semantic-speech=\"script upper B Subscript ring\" data-semantic-type=\"subscript\"&gt;&lt;mi data-semantic-=\"\" data-semantic-annotation=\"clearspeak:simple\" data-semantic-font=\"script\" data-semantic-parent=\"2\" data-semantic-r","PeriodicalId":7219,"journal":{"name":"Advanced Theory and Simulations","volume":"33 1","pages":""},"PeriodicalIF":3.3,"publicationDate":"2025-06-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144228993","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Modeling Electrical Transport in Random Networks Composed of Metal-Oxide Nanowires: The Transition from Junction-Dominated to Nanowire-Dominated Regime","authors":"Andrea Ponzoni","doi":"10.1002/adts.202500496","DOIUrl":"https://doi.org/10.1002/adts.202500496","url":null,"abstract":"Random networks of metal oxide nanowires are of great technological interest in a variety of applications. Unveiling how the properties of the elementary components of the network, namely, nanowires and nanowire-nanowire junctions, may emerge as macroscopic functionalities is a fundamental issue. However, the disordered nature of the network and difficulties in estimating important properties, such as the junction contact radius, hinder the understanding and exploitation of these materials. This paper develops a model suitable for discussing the electrical resistance of the network and its transition from the junction-dominated regime to the nanowire-dominated regime, based on the nanowire characteristic lengths and energies. The result is achieved by integrating recent network theories with the equations of semiconducting metal oxides. Constraints imposed by the thermodynamics of contact mechanics are introduced to provide a lower limit for the unknown junction contact radius. Focusing on the literature of gas sensing, the model provides a theoretical background to frame the relationship between gas-sensing properties and the surface termination of nanowires in the context of network theories.","PeriodicalId":7219,"journal":{"name":"Advanced Theory and Simulations","volume":"359 1","pages":""},"PeriodicalIF":3.3,"publicationDate":"2025-06-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144219509","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"A First-Principles Study of the Energy Level Distributions of Oxygen Vacancy Defects in Eu-Doped SrAl2O4","authors":"Kenji Hirata, Taiga Eguchi, Yuki Fujio, Kazuya Kikunaga","doi":"10.1002/adts.202500185","DOIUrl":"https://doi.org/10.1002/adts.202500185","url":null,"abstract":"Strontium aluminate doped with the europium(II) ion (SrAl₂O₄:Eu²⁺) is a versatile material with phosphor mechanoluminescent applications and static electricity-induced luminescence properties. Oxygen vacancies play a crucial role in the mechanism governing the luminescence of SrAl₂O₄:Eu²⁺. The present study uses first-principles calculations to estimate the energy level distribution of oxygen vacancies in europium-doped strontium aluminate while considering the valence states of the luminescent Eu²⁺ and Eu³⁺ centers in the emission process. The results indicate that the energy levels of the oxygen vacancies are distributed ≈ 2.5 eV for Eu²⁺ and above 2.5 eV for Eu³⁺. Regardless of the charge states of the oxygen vacancies, their energy levels exhibit a relatively broad distribution owing to structural relaxation. The energy levels ε(0/1+) and ε(0/2+) of the oxygen vacancies shift toward the conduction band for Eu³⁺ relative to Eu²⁺. This finding is valuable for understanding the re-excitation of electrons trapped in oxygen vacancies through external stimuli, such as thermal, mechanical, or electrical effects.","PeriodicalId":7219,"journal":{"name":"Advanced Theory and Simulations","volume":"45 1","pages":""},"PeriodicalIF":3.3,"publicationDate":"2025-06-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144211406","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Electroosmotic Effects on Peristaltic Transport of Ree‐Eyring Nanofluid with Double Diffusive Convection in Symmetric Microchannel","authors":"Lipiya Vijayan, G. Sucharitha","doi":"10.1002/adts.202500403","DOIUrl":"https://doi.org/10.1002/adts.202500403","url":null,"abstract":"This study examines significant applications across various domains, including microfluidics, biomedical engineering, and energy systems, focusing on the advancement of lab‐on‐a‐chip technologies, electrokinetic pumps, and micro‐scale filtration systems. A detailed investigation is conducted to explore the combined influence of peristaltic transport, double‐diffusive convection, electroosmosis, magnetohydrodynamics (MHD), Hall current, viscous dissipation, thermal radiation, and porous medium flow in the presence of a heat source. The Poisson–Boltzmann ionic distribution is approximated using the Debye–Hückel method. The lubrication approach is adopted to make the system simpler. To solve nonlinear partial differential equations in a more sophisticated manner and to improve the reliability of models in various scientific and technical domains, this work uses the homotopy perturbation technique (HPM). A thorough investigation is conducted into the effects of key parameters on the flow characteristics using graphical representations. The results of this investigation show that, in the presence of double‐diffusive convection, the Helmholtz–Smoluchowski velocity parameter can improve the velocity distribution of the Ree‐Eyring nanofluid. Notable variations in trapped boluses are noticed due to the influence of some influential parameters. Furthermore, the present outcomes are validated with previous discoveries under specific conditions.","PeriodicalId":7219,"journal":{"name":"Advanced Theory and Simulations","volume":"15 1","pages":""},"PeriodicalIF":3.3,"publicationDate":"2025-06-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144210927","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Accurate Prediction of Hybrid Nanofluids Viscosity: A Comparison of Soft Computational Approaches, Empirical, and Theoretical Models","authors":"Hossein Ghadery‐Fahliyany, Majid Mohammadi, Mohammad Haji‐Savameri, Saeed Jafari, Mahin Schaffie, Mehrorang Ghaedi, Abdolhossein Hemmati‐Sarapardeh","doi":"10.1002/adts.202401323","DOIUrl":"https://doi.org/10.1002/adts.202401323","url":null,"abstract":"Hybrid nanofluids exhibit enhanced thermal properties compared to conventional nanofluids. Viscosity, critical for assessing heat transfer efficiency, influences pressure drop and pumping power. This study models hybrid nanofluid viscosity using Radial Basis Function (RBF), Multilayer Perceptron (MLP), and a Committee Machine Intelligent System (CMIS). A dataset of 584 viscosity data points is utilized. Particle Swarm Optimization (PSO) and Farmland Fertility Algorithm (FFA) are employed to train the RBF, while the MLP utilized Scaled Conjugate Gradient (SCG), Bayesian Regularization (BR), and Levenberg‐Marquardt (LM) algorithms. The CMIS is created by integrating MLP‐BR, RBF‐FFA, and RBF‐PSO networks. The AAPRE values for RBF‐PSO, RBF‐FFA, MLP‐LM, MLP‐SCG, MLP‐BR, and CMIS models are 1.7464, 1.6647, 2.6851, 2.1889, 2.1792, and 1.519, respectively. The R<jats:sup>2</jats:sup> values are 0.9689, 0.9394, 0.4794, 0.9727, 0.9404, and 0.9688, respectively, which indicates that the CMIS model with the lowest Average Absolute Percent Relative Error (AAPRE) and the highest Determination Coefficient (R<jats:sup>2</jats:sup>) value is the most accurate model and outperforms other models in estimating viscosity, demonstrating greater accuracy than empirical and theoretical models. Sensitivity analysis showed that temperature has a significant positive impact on viscosity, while nanoparticle size has a negative effect. The CMIS model is reliable for predicting nanofluid viscosity, exhibiting a broad application range and minimal outlier data.","PeriodicalId":7219,"journal":{"name":"Advanced Theory and Simulations","volume":"12 1","pages":""},"PeriodicalIF":3.3,"publicationDate":"2025-05-31","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144188858","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Significance of Hybrid Nanoparticles and Lorentz Force on the Flow of Water as Base Fluid: The Case of Modified Buongiorno's Model","authors":"Sohaib Abdal, Nehad Ali Shah, Rana Muhammad Zulqarnain, Gulbakht Asghar, Se-Jin Yook","doi":"10.1002/adts.202500039","DOIUrl":"https://doi.org/10.1002/adts.202500039","url":null,"abstract":"The aim of this current analysis is to explore the properties of the hybrid nanoparticles subjected to non-Newtonian fluid flow over a linearly stretched surface. For the improvement of thermal transport, Tewari and Das model is altered with modify Buongiorno's model. By imposing appropriate similarity transformations on (PDEs), nonlinear ordinary differential equations are achieved. Applying the current similarity synthesis, the PDE model is translated into ODEs and the modified equations are overcome by a well-known shooting technique. The resulting set of nonlinear ordinary differential equations is eliminated mathematically by utilizing the Runge-Kutta 4th order method in MATLAB software. The velocity profile goes down with the uplifting values of Hartmann number but it is clearly observed that the results of hybrid nanoparticle's is more effective than mono nanoparticles. To valid the given model, a comparison table is made with the data present in already published papers. Across a comprehensive range of magnetic field intensities, inverse Darcy numbers, and viscoelastic characteristics, the hybrid nanofluid exhibits a moderately enhanced skin friction factor, a slightly diminished heat transfer performance by the Nusselt number, and a marginally improved mass transfer efficiency by the Sherwood number. This work can find applications in the field of metal cooling, paper production etc.","PeriodicalId":7219,"journal":{"name":"Advanced Theory and Simulations","volume":"7 1","pages":""},"PeriodicalIF":3.3,"publicationDate":"2025-05-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144165677","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Evaluation of Magnetic Hysteresis in Core–Shell Graphene, Graphyne, and Graphdiyne Nanostructures via Monte Carlo Simulations","authors":"Z. Fadil, Chaitany Jayprakash Raorane, Doha Kabouchi, Bousselham Kabouchi, E. Salmani, Fohad Mabood Husain, Seong Cheol Kim","doi":"10.1002/adts.202500598","DOIUrl":"https://doi.org/10.1002/adts.202500598","url":null,"abstract":"This research utilizes Monte Carlo simulations with the Blume–Capel model to investigate the hysteresis behavior of graphene, graphyne, and graphdiyne nanostructures. By analyzing the effects of exchange interactions, crystal field, and temperature, the research explores the stability and reversibility of magnetization in these materials. The study finds that graphene exhibits the highest stability, with core–shell and core–core interactions enhancing stability, while stronger crystal fields and higher temperatures reduce coercivity and accelerate the paramagnetic transition, optimizing properties for nanotechnology.","PeriodicalId":7219,"journal":{"name":"Advanced Theory and Simulations","volume":"11 1","pages":""},"PeriodicalIF":3.3,"publicationDate":"2025-05-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144165679","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Analyzing the Memory‐Based Transmission Dynamics of Coffee Berry Disease using Caputo Derivative","authors":"R.P. Chauhan","doi":"10.1002/adts.202500373","DOIUrl":"https://doi.org/10.1002/adts.202500373","url":null,"abstract":"In recent years, the incidence of plant diseases caused by bacterial, fungal, and environmental factors has steadily increased, affecting plants at various stages of agricultural production. Plant diseases not only reduce food production and quality but also pose significant social, health, and economic challenges. Mathematical modeling provides a method to analyze and predict the spread and impact of plant diseases. In this study, a mathematical model is suggested to describe the transmission dynamics of coffee berry disease (CBD). The model is extended in the sense of the Caputo derivative to improve accuracy and provide more realistic scenarios for coffee berry disease. A detailed analysis of the key mathematical properties of the model is presented. The conditions of local and global stability of the equilibrium points are analyzed. The existence and uniqueness of the model solution are presented, considering the fixed‐point theory. Parameter sensitivity is also examined. The numerical simulations are carried out to illustrate the practical application of fractional derivatives in the study of plant epidemiology.","PeriodicalId":7219,"journal":{"name":"Advanced Theory and Simulations","volume":"2 1","pages":""},"PeriodicalIF":3.3,"publicationDate":"2025-05-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144176575","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}