{"title":"A Dual Neural Network Approach with PID Control and Reference Tracking to Enhance Oil Recovery","authors":"Keyvan Ahangar Darabi, Majid Ahmadlouydarab","doi":"10.1002/adts.202401168","DOIUrl":"https://doi.org/10.1002/adts.202401168","url":null,"abstract":"An innovative method is introduced to improve oil recovery techniques by combining Artificial Neural Networks with Proportional-Integral-Derivative control systems. Acknowledging the significant progress in artificial intelligence, the study primarily focuses on employing Artificial Neural Networks to model the steam injection of alumina nanoparticles into a 2D porous medium, simulating steam injection-enhanced oil Recovery scenarios. The data from numerical simulations and the Levenberg-Marquardt backpropagation algorithm are used to train nine distinct neural networks using MATLAB neural network fitting, achieving an impressive mean squared error <0.001 at optimal performance. The general simulation structure features a dual neural network system, where one network simulates the recovery process and receives stable input values to generate a variable reference recovery factor for the controller. This setup utilizes feedback from the process-representing neural network to produce a control signal, enabling real-time adjustments to the neural network inputs for optimizing the recovery factor. The study investigates both open-loop and closed-loop responses to disturbances, demonstrating that while controlling nanoparticle concentration and temperature does not effectively maintain the desired recovery factor, adjusting the injection velocity through the control scheme successfully mitigated disturbances. This approach ensures precise reference tracking, achieving an average mean squared error <0.002.","PeriodicalId":7219,"journal":{"name":"Advanced Theory and Simulations","volume":"49 1","pages":""},"PeriodicalIF":3.3,"publicationDate":"2025-02-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143526466","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}
Yanyan Zhang, Yinghao Wang, Jie Shen, Dongliang Zhang, Zhiwen Gan, Bo Yang, Zhiyin Gan, Fan Wang
{"title":"Research on the Mechanism of Diamond Heteroepitaxial Growth Based on First-principles Calculations","authors":"Yanyan Zhang, Yinghao Wang, Jie Shen, Dongliang Zhang, Zhiwen Gan, Bo Yang, Zhiyin Gan, Fan Wang","doi":"10.1002/adts.202500070","DOIUrl":"https://doi.org/10.1002/adts.202500070","url":null,"abstract":"Although single-crystal diamond is successfully grown on some other substrate materials, the heteroepitaxial mechanism is still not fully understood. In this research, by analyzing the density of states curve of surface atoms in heterostructures and comparing them with atoms in the bulk material, the electronic properties of the surface atoms can be revealed. Monolayer carbon (C) atoms on cubic boron nitride (c-BN) surface exhibit some properties of diamond-like carbon. Conversely, the monolayer C atoms covering the Iridium (Ir) surface demonstrate distinct metallic properties. The C atoms on the surface of the 8-layer heterostructure exhibit some properties of diamond-like carbon. This explains why single-crystal diamond heteroepitaxy growth on Ir film requires the bias-enhanced nucleation process. However, on the c-BN surface, single-crystal diamonds can be grown directly. The method is also used to analyze the heteroepitaxy of indium phosphide (InP) on gallium arsenide (GaAs) and gallium nitride (GaN) on aluminum nitride (AlN), and the results have further confirmed the effectiveness. Therefore, this approach offers a new perspective for identifying suitable substrate materials based on their electronic properties, rather than solely relying on the matching of lattice constants and surface energies.","PeriodicalId":7219,"journal":{"name":"Advanced Theory and Simulations","volume":"51 1","pages":""},"PeriodicalIF":3.3,"publicationDate":"2025-02-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143485892","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}
E. Deligoz, D. Rached, H. Ozisik, M. Caid, Y. Rached
{"title":"Lead-Free Na2ZrTeO6 Double Perovskite: A Promising Candidate for High-Temperature and Optoelectronic Applications","authors":"E. Deligoz, D. Rached, H. Ozisik, M. Caid, Y. Rached","doi":"10.1002/adts.202401421","DOIUrl":"https://doi.org/10.1002/adts.202401421","url":null,"abstract":"The double perovskite class of materials is highly significant due to its optoelectronic properties and structural stability, making it ideal for applications in electronics, photovoltaics, and catalysis. We present a first principles study of the elastic, anisotropic mechanical, electronic, and optical properties of the newly synthesized double perovskite Na<sub>2</sub>ZrTeO<sub>6</sub> compound. The calculated elastic constants confirm the mechanical stability of the compound. Na<sub>2</sub>ZrTeO<sub>6</sub> exhibits high mechanical durability, a wide band gap, and significant anisotropic mechanical properties. The observed anisotropy suggests that Na<sub>2</sub>ZrTeO<sub>6</sub> may exhibit direction-dependent mechanical and electronic behavior, making it a versatile material for advanced technological applications. The high Debye and melting temperature indicate that Na<sub>2</sub>ZrTeO<sub>6</sub> may be very suitable for high-temperature processes, refractory materials, and high-temperature equipment. This compound is a semiconductor with a wide band gap and the electrons are mobile carriers because they have smaller effective masses. The optical properties, including the real and imaginary parts of the complex dielectric function, energy loss, real and imaginary parts of the refractive index, and absorption coefficient, are analyzed for photon energies up to 20 eV to evaluate the optical response.","PeriodicalId":7219,"journal":{"name":"Advanced Theory and Simulations","volume":"5 1","pages":""},"PeriodicalIF":3.3,"publicationDate":"2025-02-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143485890","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":"Analytical Modeling of Oppositely Doped Core-Shell Junctionless Nanowire Transistor Considering Fringe Capacitance and Dual Material Gate","authors":"Bharti, Poornima Mittal","doi":"10.1002/adts.202401148","DOIUrl":"https://doi.org/10.1002/adts.202401148","url":null,"abstract":"This paper presents a physics-based analytical solution for junctionless nanowire field effect transistor (JL-NWFET) incorporating an oppositely doped core-shell (ODCS) structure, dual material gate (DMG), and a high permittivity spacer by solving Poisson's equation. The surface potential concept has been used to derive threshold voltage, drain-induced barrier lowering, drain current, and subthreshold slope. The results demonstrate that the cumulative benefits of ODCS, DMG, and high permittivity spacer in conventional JL-NWFET enhance the device performance and mitigate short channel effects (SCEs). Furthermore, the close agreement between the analytical and simulation results for different core thicknesses, spacer permittivities, channel lengths, and channel thicknesses highlights the robustness and reliability of the proposed modeling methodology, offering valuable guidance for device optimization and design refinement in nanoelectronics applications.","PeriodicalId":7219,"journal":{"name":"Advanced Theory and Simulations","volume":"11 1","pages":""},"PeriodicalIF":3.3,"publicationDate":"2025-02-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143470484","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":"Machine Learning Guided Discovery of Non-Linear Optical Materials (Adv. Theory Simul. 2/2025)","authors":"Sownyak Mondal, Raheel Hammad","doi":"10.1002/adts.202570003","DOIUrl":"https://doi.org/10.1002/adts.202570003","url":null,"abstract":"<p>In article 2400463, Sownyak Mondal and Raheel Hammad use predictive modeling to identify new nonlinear optical (NLO) materials, using refractive index as a proxy. It focuses on non-centrosymmetric materials with optimal hardness and bandgap properties, which are validated through density functional theory, successfully confirming several established NLO materials and enhancing solid-state laser performance.\u0000\u0000 <figure>\u0000 <div><picture>\u0000 <source></source></picture><p></p>\u0000 </div>\u0000 </figure></p>","PeriodicalId":7219,"journal":{"name":"Advanced Theory and Simulations","volume":"8 2","pages":""},"PeriodicalIF":2.9,"publicationDate":"2025-02-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://onlinelibrary.wiley.com/doi/epdf/10.1002/adts.202570003","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143455820","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"Issue Information (Adv. Theory Simul. 2/2025)","authors":"","doi":"10.1002/adts.202570004","DOIUrl":"https://doi.org/10.1002/adts.202570004","url":null,"abstract":"","PeriodicalId":7219,"journal":{"name":"Advanced Theory and Simulations","volume":"8 2","pages":""},"PeriodicalIF":2.9,"publicationDate":"2025-02-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://onlinelibrary.wiley.com/doi/epdf/10.1002/adts.202570004","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143455821","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"A Variability-Aware Behavioral Model of Monolayer MoS2 RRAM for Tunable Stochastic Sources","authors":"Lavanya Peddaboina, Kartik Agrawal, Piyush Kumar, Girija Hegde, Oves Badami, Shubhadeep Bhattacharjee","doi":"10.1002/adts.202401235","DOIUrl":"https://doi.org/10.1002/adts.202401235","url":null,"abstract":"Stochastic switching in resistive random-access memories (RRAMs), while presenting challenges in digital memory applications, can be leveraged beyond von Neumann's stochastic computing and hardware security applications. In this regard, it is crucial to identify and model RRAMs where microscopic stochastic events can enable sizeable and tunable variability in macroscopic device characteristics. In this regard, chalcogen vacancy-mediated multifilamentary switching consisting of a multitude of hotspots in monolayer transition metal dichalcogenide (TMDCs) RRAMs can be promising candidates for high-quality, tunable stochastic sources. In this work, an efficient physics-based model is developed to capture the behavior of stochastic switching in monolayer MoS<sub>2</sub> RRAMs. The microscopic origin of stochasticity, arising from clusters of sulfur vacancies transforming into metallic hotspots, is modeled using the kinetic Monte Carlo method. The rate equations designed to capture the physics of abrupt SET and gradual RESET processes provide an excellent fit to experimental data, allowing to extract key material parameters. The calibrated macroscopic model is then employed to explore multiple non-volatile resistance states in the gradual RESET process, area scalability trends and cycle-to-cycle C2C variability over 100k cycles. Furthermore, the statistical distribution of HRS and LRS variability is modeled and large tunability of the distribution is demonstrated using stop voltage in RESET. Finally, it is demonstrated that these devices are excellent candidates as bit stream generators for stochastic computing applications with accuracy values comparable to an ideal source. It is envisioned that the work will induce significant interest in the deployment of 2D materials-based RRAMs for high-quality tunable stochastic sources.","PeriodicalId":7219,"journal":{"name":"Advanced Theory and Simulations","volume":"1 1 1","pages":""},"PeriodicalIF":3.3,"publicationDate":"2025-02-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143417486","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}