Advanced Theory and Simulations最新文献

{"title":"Single-Atom Iridium Catalysts on Covalent Frameworks: Structural Tuning for Superior Oxygen Evolution","authors":"Leila Bahri, Fekadu Tsegaye Dajan, Marshet Getaye Sendeku, Karim Harrath","doi":"10.1002/adts.202500045","DOIUrl":"https://doi.org/10.1002/adts.202500045","url":null,"abstract":"The rational design of active and stable electrodes is crucial for the development of efficient and durable water electrolyzers. However, theoretical studies exploring the structural factors that dictate catalytic activity and dissolution stability remain scarce. This study investigates several factors by examining the trends in activity, stability, and the oxidation state of Ir single atoms during the oxygen evolution reaction (OER). Using computational methods such as Density Functional Theory (DFT) and Molecular Dynamics (MD) simulations, the structure of Ir single-atom catalysts (SACs) is analyzed across a range of oxidation states, which is influenced by electrode potential and environmental pH. The findings indicate that applying potential to Ir SAC-supported covalent organic framework (COF) in the range of 0.5 ∼ < U ∼ < 1.1 can lead to the formation of an OIrOH structure, resulting in outstanding OER activity. Importantly, while applying the electrode potential is not necessary to overcome the potential-limiting step, it is crucial for the formation and stabilization of the highly active Ir SAC structure. This work offers valuable insights to guide experimental efforts in designing high-performance Ir SACs with enhanced OER activity.","PeriodicalId":7219,"journal":{"name":"Advanced Theory and Simulations","volume":"137 1","pages":""},"PeriodicalIF":3.3,"publicationDate":"2025-05-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143915657","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 Molecular Dynamics Investigation into Optimum Membrane-Cholesterol Performance Influencing Alzheimer's-Related Amyloid-β Conformational Stability","authors":"Heba A. Esawii, Yersultan Arynbek, Noha Mohamed, Grigory Arzumanyan, Hanan A. Mahran","doi":"10.1002/adts.202500180","DOIUrl":"https://doi.org/10.1002/adts.202500180","url":null,"abstract":"Alzheimer's disease (AD) is associated with the aggregation of amyloid beta (Aβ) peptides, which disrupt membrane integrity and contribute to neurodegeneration. Cholesterol, a key membrane component, plays a role in modulating these pathological events by stabilizing membrane structure and affecting protein dynamics. This study investigates how cholesterol influences membrane stability in the presence of Aβ1-42, a peptide linked to AD progression. Molecular dynamics (MD) simulations are used to model a dipalmitoylphosphatidylcholine (DPPC) lipid bilayer with cholesterol concentrations ranging from 10–50%. Aβ1-42 is modeled to examine its interaction with these cholesterol-rich membranes. Key parameters, including root mean square deviation (RMSD) for structural stability, root mean square fluctuation (RMSF) for local flexibility, and hydrogen bonding (H-bonding) are calculated to assess interactions between Aβ1-42 and the lipid bilayer. Secondary structure analysis (SSA) tracked conformational changes in Aβ1-42, focusing on transitions between alpha helices and beta sheets, which are critical for understanding peptide misfolding. Results of this study indicate that approximately (≈) 30% cholesterol concentration is optimal for enhancing peptide stability. While higher cholesterol (50%) further stabilizes the membrane, it leads to diminishing returns on peptide stability, possibly due to excessive membrane rigidity. These findings suggest that a balance between membrane rigidity and peptide flexibility is crucial for maintaining structural stability in AD.","PeriodicalId":7219,"journal":{"name":"Advanced Theory and Simulations","volume":"14 1","pages":""},"PeriodicalIF":3.3,"publicationDate":"2025-05-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143915658","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":"The Impact of Nb Doping on Structural, Electronic, Magnetic and Optical Properties of Monolayer Mgo:DFT Study","authors":"Markos Meskele Shanko, Berhanu Aymalo Shalisho, Sintayehu Mekonnen Hailemariam","doi":"10.1002/adts.202500153","DOIUrl":"https://doi.org/10.1002/adts.202500153","url":null,"abstract":"The effects of niobium (Nb) doping on the structural, electronic, magnetic, and optical properties of monolayer (ML) magnesium oxide (MgO) are investigated using spin‐polarized density functional theory (DFT). Defect formation energy caculations reveal that doping Nb on the Mg site is energetically favorable. Structural analysis shows that Nb doping increases in all structural parameters, attributed to the larger atomic radius of Nb compared to Mg. Electronic band structure calculations indicate a reduction in the bandgap of ML MgO, from 3.44 to 3.39 eV and 3.0 eV for 6.25% and 12.5% Nb doping, respectively. The total density of states and band structure analysis suggests a transition from paramagnetic to ferromagnetic behavior, along with a shift toward half‐metallic properties with Nb doping. Notably, using mean‐field theory in combination with spin‐polarized DFT, the ferromagnetic transition temperature (<jats:italic>T</jats:italic>) for 12.5% Nb‐doped MgO is predicted to be 346 K. Furthermore, optical absorption studies reveal a significant enhancement in the absorption coefficient, particularly in the visible spectrum, due to Nb doping. These findings highlight the potential of Nb‐doped MgO for applications in spintronics and optoelectronics, although further experimental validation is required to confirm these theoretical predictions.","PeriodicalId":7219,"journal":{"name":"Advanced Theory and Simulations","volume":"101 1","pages":""},"PeriodicalIF":3.3,"publicationDate":"2025-05-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143920269","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":"Structural and Electronic Properties of Corundum and Monoclinic (Al1-xInx)2O3 Alloys by First-Principles","authors":"Xiaoli Liu, Yimin Liao, Justin Goodrich, Hanlin Fu, Nelson Tansu, Chee-Keong Tan","doi":"10.1002/adts.202401407","DOIUrl":"https://doi.org/10.1002/adts.202401407","url":null,"abstract":"Ga₂O₃ ultrawide bandgap semiconductors have garnered significant attention in recent years due to their ultra-wide bandgap. In this study, the alternative III-oxide material using indium and aluminum mixing to form (Al_1-xIn_x)₂O₃ alloy (AlInO) is systematically investigated using hybrid density functional theory calculations. The lattice constants, bandgaps and bowing parameter are investigated for both corundum and monoclinic AlInO, with In-content ranging from 0 to 100%. A notable decrease in the bandgap energy of Al₂O₃ is observed with the increase of In content, providing a wide bandgap energy tuning range of 5.59 eV (corundum)/4.79 eV (monoclinic). In addition, results of band alignment present both type-I/type-II band offset in AlInO/β-Ga₂O₃ structure among the entire composition range. The bandgap energy of AlInO ranges from 7.93 to 2.77 eV for monoclinic AlInO, and 7.89 to 2.84 eV for corundum AlInO, in which the conduction band position exhibits a sharp upward and becomes dominant in bandgap tuning. Overall, the work indicated that AlInO alloys can potentially serve as lattice-matched materials with <i>β</i>-Ga₂O₃ for the electronic and optoelectronic applications, with promising surface and interface characteristics that merit further exploration.","PeriodicalId":7219,"journal":{"name":"Advanced Theory and Simulations","volume":"50 1","pages":""},"PeriodicalIF":3.3,"publicationDate":"2025-05-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143915659","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":"Advanced Numerical Modeling and Simulation of Hydrogel-Based Chemo Fluidic Oscillator for Enhanced Insulin Delivery System in Diabetes Treatment: A Comparative and Sensitivity Analysis","authors":"Illych Alvarez, Esteban Pulley, Patrick Arévalo, Fernando Tenesaca, Ivy Peña Elaje","doi":"10.1002/adts.202500196","DOIUrl":"https://doi.org/10.1002/adts.202500196","url":null,"abstract":"This work presents a numerical model of a chemo-fluidic oscillator for controlled insulin delivery, utilizing the Euler-Taylor-Galerkin method. While advancements in automated insulin delivery systems, such as insulin pumps, have improved glucose management, these devices still rely on patient input. This leads to non-optimal management of glucose levels and increases the risk of hypoglycemia or hyperglycemia. In contrast to traditional electronic sensors, chemo-fluidic oscillators directly link chemical signals with fluidic control, offering a more integrated and responsive approach to diabetes management. The model describes the dynamics of a stimuli-responsive hydrogel and its chemical transport behavior, enabling the automated release of insulin into the bloodstream without the need for patient intervention. The study compares various numerical methods, evaluating their stability and accuracy, both crucial for reliable results of the dynamic behavior of the oscillator. Stability prevents divergent results, while accuracy is vital to avoid errors that can lead to unsafe insulin dosing. Results indicate that the model is robust, making it well-suited for advanced biomedical applications","PeriodicalId":7219,"journal":{"name":"Advanced Theory and Simulations","volume":"47 1","pages":""},"PeriodicalIF":3.3,"publicationDate":"2025-05-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143915662","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":"Principles of Selective Stacking 2D-SnS on FAPbI3 to Form Directional Polarity for Low-Cost Solar Energy Conversion","authors":"Jiaming Huang, Qipeng Yao, Linqin Jiang, Bo Wu, Lingyan Lin, Ping Li, Hao Xiong, Heng Jiang, Aijun Yang, Yu Qiu","doi":"10.1002/adts.202500043","DOIUrl":"https://doi.org/10.1002/adts.202500043","url":null,"abstract":"Metal halide perovskites have been extensively studied due to their exceptional optoelectronic properties. However, the fabrication of perovskite solar cells (PSCs) has been hindered by the poor stability and high costs of hole transport layers (HTLs) such as Spiro-OMeTAD. 2D materials, which can be stacked via van der Waals (vdW) forces to form heterostructures, open up new possibilities for atomic-scale engineering of perovskite devices. In this study, the electronic, optical properties of the FAPbI₃/SnS-vdW heterostructure are investigated using first-principles calculations. The SnS monolayer and the FAPbI₃ surface form a stable Type-II heterostructure with a smaller bandgap compared to their individual components. Through selective stacking of 2D-SnS at PbI₂ or FAI interfacial atoms, the charge transfer direction is changed accordingly. The favorable interfacial polarity, smaller distance, and stronger bonding of SnS/PbI₂ interface result in a better HTL properties. Simulations demonstrate that FAPbI₃/SnS-based PSCs achieves a power conversion efficiency (PCE) of 21.30%, comparable to the traditional FAPbI₃/Spiro-OMeTAD structure. Moreover, interfacial effects enhance the optical absorption of the FAPbI₃/SnS heterojunction, thus, the SnS-based PSC exhibits a high external quantum efficiency (EQE) with an extended absorption range. This work provides a novel perspective, designing principles for fabricating low-cost, high-performance PSCs based on vdW heterostructures.","PeriodicalId":7219,"journal":{"name":"Advanced Theory and Simulations","volume":"137 1","pages":""},"PeriodicalIF":3.3,"publicationDate":"2025-05-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143915663","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":"Deep Reinforcement Learning Applied to Wake Steering","authors":"Carlos Ros Perez, Ankit Tyagi, Abhineet Gupta, Jasper Kreeft, Christian Michler","doi":"10.1002/adts.202500199","DOIUrl":"https://doi.org/10.1002/adts.202500199","url":null,"abstract":"Wake steering is a wind farm control strategy where the yaw angle of turbines is intentionally misaligned with the incoming wind direction to deflect the wake in such a way as to increase the power production from the downstream turbines in exchange for producing less power in the upstream turbines. This paper presents a Deep Reinforcement Learning approach for predicting the optimal turbine misalignment using steady-state flow simulations and the Proximal Policy Optimization (PPO) algorithm. This approach leads to a 2.25–5.27% improvement over the greedy strategy, averaged over all incident wind directions, with a computing time of less than 30 s per configuration, although it does not outperform the state-of-the-art optimizers.","PeriodicalId":7219,"journal":{"name":"Advanced Theory and Simulations","volume":"50 1","pages":""},"PeriodicalIF":3.3,"publicationDate":"2025-05-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143915596","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":"Blue (Buckled) Versus Black (Puckered) Phosphorene Monolayers for Sensing Biomarkers Associated with Respiratory Diseases – A DFT Study","authors":"Surya Nagarathinam Senthilkumar, Senthilkumar Lakshmipathi","doi":"10.1002/adts.202500061","DOIUrl":"https://doi.org/10.1002/adts.202500061","url":null,"abstract":"This study investigates puckered (black) and buckled (blue) phosphorene for sensing volatile organic compounds (VOCs) linked to respiratory diseases. The semiconducting nature of both forms is confirmed by their bandgap and density of states. Heptanal shows the most adsorption in both monolayers. AIM analyses indicated the physisorption of VOCs, while the planar average potential and minimum work function suggest surface charge interactions. Blue phosphorene demonstrated high sensitivity (92.67% to 99.99%) for VOCs, compared to black phosphorene's 0.78% to 74.55%. Blue phosphorene also has a rapid recovery rate of 18 ps in the ultraviolet region. The Langmuir adsorption isotherm model indicates that under humid conditions, Blue phosphorene shows maximum surface coverage (θ) for biomarkers over vacuum media. Blue phosphorene demonstrates remarkable sensitivity toward all the volatile organic compounds (VOCs), including benzaldehyde, 2‐butanone, heptanal, and tetrahydrofuran, which makes it a promising material for sensing biomarkers associated with respiratory diseases. Overall, Buckled (blue) phosphorene is a better VOCs sensor material than puckered (black) phosphorene.","PeriodicalId":7219,"journal":{"name":"Advanced Theory and Simulations","volume":"24 1","pages":""},"PeriodicalIF":3.3,"publicationDate":"2025-05-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143920034","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":"Bacterial-Based Molecular Communication: Simulation of a Fixed and Receding Receiver Scenarios in Varied Viscosities and Environmental Conditions","authors":"Mustafa Ozan Duman, Ibrahim Isik, Esme Isik, Mehmet Bilal Er","doi":"10.1002/adts.202500173","DOIUrl":"https://doi.org/10.1002/adts.202500173","url":null,"abstract":"This study introduces a novel bacterial-based molecular communication (BBMC) model for nanoscale information exchange, harnessing the chemotactic behavior of Escherichia coli (<i>E. coli</i>). A comprehensive 3D simulation framework is developed to analyze the impact of key parameters diffusion coefficient (<i>D</i>), chemoattractant release rate (<i>Q</i>), receiver (RX) speed (<i>u</i>), and initial transmitter-receiver distance (<i>d</i>) on communication performance. Results indicate that lower <i>D</i> values enhance the formation of chemoattractant gradients, leading to improved signal clarity and efficiency. Conversely, higher RX speeds distort these gradients, increasing signal reach time and reducing success rates. Elevated <i>Q</i> values significantly broaden the sensing range and improve reliability, particularly over larger distances, though their effect is diminished at high RX speeds. Notably, success rates drop sharply as <i>d</i> approaches the theoretical sensing threshold, underscoring the critical need for parameter tuning. Experimental results validate these findings and reveal a threshold beyond which bacterial movement becomes random, limiting effective signal transmission. These insights contribute to optimizing BBMC systems for greater efficiency and reliability. Applications include targeted drug delivery, environmental biosensing, and synthetic biology, where precise bacterial signaling is essential. The study also demonstrates simulation as a scalable, cost-efficient alternative to experimental methods, addressing complexity and feasibility in real-world scenarios.","PeriodicalId":7219,"journal":{"name":"Advanced Theory and Simulations","volume":"47 1","pages":""},"PeriodicalIF":3.3,"publicationDate":"2025-05-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143915597","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 and Efficient Behavioral Modeling of GaN HEMTs Using An Optimized Light Gradient Boosting Machine","authors":"Saddam Husain, Mohammad Hashmi, Fadhel M. Ghannouchi","doi":"10.1002/adts.202401565","DOIUrl":"https://doi.org/10.1002/adts.202401565","url":null,"abstract":"An accurate, efficient, and improved Light Gradient Boosting Machine (LightGBM) based Small-Signal Behavioral Modeling (SSBM) techniques are investigated and presented in this paper for Gallium Nitride High Electron Mobility Transistors (GaN HEMTs). GaN HEMTs grown on SiC, Si and diamond substrates of geometries 2 × 50 &lt;span data-altimg=\"/cms/asset/eb90342a-cca3-4c49-bc52-6b6439d6111a/adts70004-math-0001.png\"&gt;&lt;/span&gt;&lt;mjx-container ctxtmenu_counter=\"271\" 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/adts70004-math-0001.png\"&gt;&lt;mjx-semantics&gt;&lt;mjx-mrow data-semantic-annotation=\"clearspeak:simple;clearspeak:unit\" data-semantic-children=\"0,1\" data-semantic-content=\"2\" data-semantic- data-semantic-role=\"implicit\" data-semantic-speech=\"mu normal m\" data-semantic-type=\"infixop\"&gt;&lt;mjx-mi data-semantic-annotation=\"clearspeak:simple\" data-semantic-font=\"italic\" data-semantic- data-semantic-parent=\"3\" data-semantic-role=\"greekletter\" data-semantic-type=\"identifier\"&gt;&lt;mjx-c&gt;&lt;/mjx-c&gt;&lt;/mjx-mi&gt;&lt;mjx-mo data-semantic-added=\"true\" data-semantic- data-semantic-operator=\"infixop,⁢\" data-semantic-parent=\"3\" data-semantic-role=\"multiplication\" data-semantic-type=\"operator\" style=\"margin-left: 0.056em; margin-right: 0.056em;\"&gt;&lt;mjx-c&gt;&lt;/mjx-c&gt;&lt;/mjx-mo&gt;&lt;mjx-mi data-semantic-annotation=\"clearspeak:simple\" data-semantic-font=\"normal\" data-semantic- data-semantic-parent=\"3\" data-semantic-role=\"latinletter\" data-semantic-type=\"identifier\"&gt;&lt;mjx-c&gt;&lt;/mjx-c&gt;&lt;/mjx-mi&gt;&lt;/mjx-mrow&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:adts70004:adts70004-math-0001\" display=\"inline\" location=\"graphic/adts70004-math-0001.png\" xmlns=\"http://www.w3.org/1998/Math/MathML\"&gt;&lt;semantics&gt;&lt;mrow data-semantic-=\"\" data-semantic-annotation=\"clearspeak:simple;clearspeak:unit\" data-semantic-children=\"0,1\" data-semantic-content=\"2\" data-semantic-role=\"implicit\" data-semantic-speech=\"mu normal m\" data-semantic-type=\"infixop\"&gt;&lt;mi data-semantic-=\"\" data-semantic-annotation=\"clearspeak:simple\" data-semantic-font=\"italic\" data-semantic-parent=\"3\" data-semantic-role=\"greekletter\" data-semantic-type=\"identifier\"&gt;μ&lt;/mi&gt;&lt;mo data-semantic-=\"\" data-semantic-added=\"true\" data-semantic-operator=\"infixop,⁢\" data-semantic-parent=\"3\" data-semantic-role=\"multiplication\" data-semantic-type=\"operator\"&gt;⁢&lt;/mo&gt;&lt;mi data-semantic-=\"\" data-semantic-annotation=\"clearspeak:simple\" data-semantic-font=\"normal\" data-semantic-parent=\"3\" data-semantic-role=\"latinletter\" data-semantic-type=\"identifier\" mathvariant=\"normal\"&gt;m&lt;/mi&gt;&lt;/mrow&gt;$umu{rm m}$&lt;/annotation&gt;&lt;/semantics&gt;&lt;/math&gt;&lt;/mjx-assistive-mml&gt;&lt;/mjx-container&gt;, 10 × 200 &lt;span data-altimg=\"/cms/asset/da6b8095-7d7b-4778-8053-c04798a7f7f2/adts70004-math-0002.png\"&gt;&lt;/span&gt;&lt;mjx-container ctxtmenu_counter=\"272\" ctxtmenu_oldtabindex=\"1\" jax=\"CHTML\" role=\"application\" sre-explorer- style=\"font-size: 1","PeriodicalId":7219,"journal":{"name":"Advanced Theory and Simulations","volume":"11 1","pages":""},"PeriodicalIF":3.3,"publicationDate":"2025-05-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143915660","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}