Advanced Theory and Simulations最新文献

{"title":"Wave Propagation Approaches for Design Optimization of Asymmetric Double-Layer Gold Gratings: Logic- and Learning-Based Perspectives","authors":"Ryuna Kang, Jehwan Hwang, Jun Oh Kim, Zahyun Ku, Yunsang Kwak","doi":"10.1002/adts.202401464","DOIUrl":"https://doi.org/10.1002/adts.202401464","url":null,"abstract":"This study investigates logic- and learning-based wave propagation approaches for optimizing asymmetric double-layer gold grating structures to maximize transmission and polarization performance. The logic-based wave method (LgWM) utilizes the multiple-layer model and transfer matrix calculations to identify optimal design parameters for specific wavelength targets, offering an efficient yet limited approach for single-wavelength optimization. In contrast, the learning-based wave method (LnWM) based on the explainable neural network (XNN) is developed to predict TM transmission spectra across a broad range of parameter combinations and wavelengths. By leveraging XNN frameworks, this LnWM addresses challenges of simulation domain constraints and parameter sparsity, enabling dense predictions across all design combinations. Results demonstrate that the LgWM achieves higher extinction ratios but is constrained in parameter flexibility, while the LnWM supports customizable objective functions and outperforms in multi-wavelength optimization. Specifically, the LnWM identifies a broadband optimal design with 2.5 times higher extinction ratios across 3–5 µm wavelengths compared to the LgWM. The complementary characteristics of these wave propagation approaches provide versatile tools for optimizing asymmetric grating structures, balancing efficiency and flexibility to meet diverse design objectives. The source code and trained models are made publicly available at https://github.com/AVIP-laboratory/Asymmetric-Au-gratings.","PeriodicalId":7219,"journal":{"name":"Advanced Theory and Simulations","volume":"22 1","pages":""},"PeriodicalIF":3.3,"publicationDate":"2025-03-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143666484","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":"Heterogeneity in Silk Piezoelectricity","authors":"Seçkin D. Günay","doi":"10.1002/adts.202401461","DOIUrl":"https://doi.org/10.1002/adts.202401461","url":null,"abstract":"Experimental studies demonstrates that silk exhibits good piezoelectric properties among biological materials. It has been proven by experimenters that the material, which contains amorphous and secondary structures, acquires this property from β‐sheet crystals. In this study, the piezoelectric properties of silk II β‐sheets are investigated at the microscopic level. Models existing in the literature are examined using computational methods. Shear deformation is applied to these structures, and piezoelectric coefficients are calculated. Two models provided by recent studies, Asakura A and B, form silk fibroin and are distributed with a 2:1 ratio. The overall piezoelectric property emerges with the contribution of both. It is determined that there is a six‐fold difference between the piezoelectric coefficients of the two models. This signifies that these β‐sheet crystal structure models that made up the silk has very different piezoelectric properties. Thus, the heterogeneity in the structure also exists in the piezoelectric property. Theoretically, there is a possibility to increase the silk piezoelectricity by increasing the Asakura Model A β‐sheet concentration.","PeriodicalId":7219,"journal":{"name":"Advanced Theory and Simulations","volume":"1 1","pages":""},"PeriodicalIF":3.3,"publicationDate":"2025-03-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143653487","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":"Performing of Spin‐Dependent Diodes in Co‐Doped SiC Bilayer by Fully Epitaxial Magnetic Tunnel Junctions","authors":"Xingkun Liang, Zhengxin Yan, Juntao Kong, Zehua Zhao, Jinghua Zhao, Yu Wang, Chen Qi, Zhaoqi Wang","doi":"10.1002/adts.202401455","DOIUrl":"https://doi.org/10.1002/adts.202401455","url":null,"abstract":"The switching mechanisms of a spin current diode induced by an alternating electric field are investigated within fully epitaxial magnetic tunnel junctions (TJs) composed of a SiC double layer. This is achieved through precise engineering of the spatial positions of Co atoms, within which the spin‐diode tunneling process, driven by a bias voltage (BV), is carefully explored. This work reveals that incorporating high‐spin Co atoms into the SiC‐Co junction forms a spin‐down domain wall, thereby facilitating spin filtering. Meanwhile, the freedom of spin‐electron transmission governed by the TJ in a spin‐polarized heterojunction is confirmed. These findings demonstrate that the characteristics of the spin‐charge current can be significantly manipulated by adjusting the position of Co atoms in devices and by varying the applied BV, providing valuable insights for the development of spintronic devices.","PeriodicalId":7219,"journal":{"name":"Advanced Theory and Simulations","volume":"24 1","pages":""},"PeriodicalIF":3.3,"publicationDate":"2025-03-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143618458","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":"Enhancing Demand Response Scheduling in Smart Grids With Integrated Renewable Energy Sources PV and Wind Systems Using Hybrid Epistemic Neural Networks—Clouded Leopard Optimization Algorithm","authors":"M. Ayyakrishnan, M. Lakshmanan, Srinivasan S, G. G. Raja Sekhar","doi":"10.1002/adts.202500099","DOIUrl":"https://doi.org/10.1002/adts.202500099","url":null,"abstract":"Demand response (DR) improves grid stability by enabling communication between the grid and consumers. However, managing residential load variability during DR events is challenging, especially in smart grids with renewable energy sources like wind and photovoltaic systems. This study aims to develop an advanced demand response scheduling strategy that optimizes electricity costs, reduces peak loads, and maintains user comfort. The primary goal is to enhance load demand prediction accuracy and optimize cost-efficient energy consumption in residential smart grids. A hybrid approach, the Epistemic Neural Network-Clouded Leopard Optimization Algorithm (ENN-CLOA) technique, is proposed. ENN is used for precise load demand forecasting, while CLOA optimizes electricity costs by dynamically adjusting energy consumption patterns. The method is implemented in MATLAB and compared with existing approaches, including artificial neural networks (ANN), deep neural networks (DNN), and recurrent neural networks (RNN). The ENN-CLOA technique achieves superior cost efficiency, with a minimum electricity cost of ¥10580, outperforming ANN (¥10870), RNN (¥10780), and DNN (¥10670). The proposed method also demonstrates lower error rates in load prediction and improves peak load management. The proposed technique enhances demand response performance by reducing electricity costs, mitigating peak loads, and ensuring better energy efficiency in smart grids.","PeriodicalId":7219,"journal":{"name":"Advanced Theory and Simulations","volume":"16 1","pages":""},"PeriodicalIF":3.3,"publicationDate":"2025-03-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143608594","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":"Unveiling the Potential of Ba2Zn5As6 and Ba2Zn5Sb6: A Comprehensive DFT Study","authors":"Haci Ozisik, Messaoud Caid, Engin Deligoz, Djamel Rached, Youcef Rached","doi":"10.1002/adts.202401099","DOIUrl":"https://doi.org/10.1002/adts.202401099","url":null,"abstract":"In this study, the structural, elastic, electronic, optical, and thermoelectric properties of Ba₂Zn₅X₆ (X = As, Sb) compounds within the orthorhombic space group <i>Pmna</i> (No. 53) are investigated using density functional theory (DFT). The analysis of phonon dispersion and elastic constants confirms that the compounds are both dynamically and mechanically stable. These results indicate that the Ba₂Zn₅X₆ (X = As, Sb) compounds have relatively low mechanical properties, indicating that they are likely to have low thermal conductivity. The vibrations of Ba atoms play an important role in the phonon thermal conductivity. In terms of electronic properties, the band structure analysis indicates that the compounds possess an indirect band gap (Γ-Y). The calculation of optical properties in the energy range 0–12 eV reveals important information about dielectric functions, refractive index, reflection, optical conductivity, and absorption coefficient. These calculations have shown that the compounds exhibit good optical efficiency. Furthermore, a detailed investigation and discussion of their thermoelectric properties, such as Seebeck coefficient, electronic thermal conductivity, and power factor, indicate that these compounds can be candidates for thermoelectric devices. These calculations provide valuable insights into enhancing the thermoelectric performance of these compounds.","PeriodicalId":7219,"journal":{"name":"Advanced Theory and Simulations","volume":"22 1","pages":""},"PeriodicalIF":3.3,"publicationDate":"2025-03-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143608592","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":"Exploration of Half-Cycle Length of Converging Circular Wavy Duct with Diverging-Outlet: Turbulent Water Dynamics","authors":"I. L. Animasaun, Taseer Muhammad, Se-Jin Yook","doi":"10.1002/adts.202500038","DOIUrl":"https://doi.org/10.1002/adts.202500038","url":null,"abstract":"The dynamics of water-liquid flow through aluminum circular pipes are examined to investigate the effects of half-cycle length in converging wavy ducts with diverging outlets. This study provides insights into flow control, energy efficiency, enhanced heat transfer, and turbulence management, all of which have significant industrial applications. The SpaceClaim-generated duct designs have 40 mm major inlet diameters and 10 mm minor inlets on either side, with an output diverging to 10 mm. The Shear Stress Transport (SST) k-<span data-altimg=\"/cms/asset/f24a0aae-58c9-4b6e-b6e7-ba012a8369f7/adts202500038-math-0001.png\"></span><mjx-container ctxtmenu_counter=\"436\" ctxtmenu_oldtabindex=\"1\" jax=\"CHTML\" role=\"application\" sre-explorer- style=\"font-size: 103%; position: relative;\" tabindex=\"0\"><mjx-math aria-hidden=\"true\" location=\"graphic/adts202500038-math-0001.png\"><mjx-semantics><mjx-mi data-semantic-annotation=\"clearspeak:simple\" data-semantic-font=\"italic\" data-semantic- data-semantic-role=\"greekletter\" data-semantic-speech=\"omega\" data-semantic-type=\"identifier\"><mjx-c></mjx-c></mjx-mi></mjx-semantics></mjx-math><mjx-assistive-mml display=\"inline\" unselectable=\"on\"><math altimg=\"urn:x-wiley:25130390:media:adts202500038:adts202500038-math-0001\" display=\"inline\" location=\"graphic/adts202500038-math-0001.png\" xmlns=\"http://www.w3.org/1998/Math/MathML\"><semantics><mi data-semantic-=\"\" data-semantic-annotation=\"clearspeak:simple\" data-semantic-font=\"italic\" data-semantic-role=\"greekletter\" data-semantic-speech=\"omega\" data-semantic-type=\"identifier\">ω</mi>$omega$</annotation></semantics></math></mjx-assistive-mml></mjx-container> model in ANSYS Fluent 2024R2 is used for better management of pressure gradients and precise prediction of boundary layer behavior. Meshing and simulation followed a strict methodology, assuring precision and dependability. It is worth noting that increasing the number of sinusoidal half-cycles increases turbulence, which raises the Reynolds number and enhances the cooling effect. Longer wavy ducts are shown to increase flow acceleration, resulting in greater output velocities and more turbulent kinetic energy production. Turbulent viscosity in a 2.5-period sinusoidal wavy duct rises dramatically with inflow velocity and temperature. A 12.5-period sinusoidal wavy duct is substantially more turbulent viscosity than a 2.5-period duct. These findings have important implications for applications that require improved heat dissipation and flow control, including heat exchanger design and thermal management systems.","PeriodicalId":7219,"journal":{"name":"Advanced Theory and Simulations","volume":"54 1","pages":""},"PeriodicalIF":3.3,"publicationDate":"2025-03-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143608595","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":"Dynamical Analysis of Breast Cancer Progression with Noise Effects and Impulsive Therapeutic Interventions","authors":"Fathima Nasrin Shajahan, Rajivganthi Chinnathambi","doi":"10.1002/adts.202401425","DOIUrl":"https://doi.org/10.1002/adts.202401425","url":null,"abstract":"Breast cancer remains one of the most prevalent cancers globally and is a leading cause of cancer-related mortality in women. This study investigates the dynamics of interactions among healthy, cancer and immune cells through an impulsive model incorporating chemotherapy and immunotherapy's effects, under the influence of stochastic perturbations. The combined effects of periodic treatments and stochastic variations are analyzed, offering valuable insights into disease progression and therapeutic strategies. The model is constructed using three auxiliary equations to establish the existence, positivity, and uniqueness of solutions. The global stability of the system's solutions is demonstrated through the construction of a Lyapunov function, while the boundedness of the solution's expectation is verified using a comparison theorem for impulsive equations. Criteria for the extinction and non-persistence of healthy cells, cancer cells, and immune populations are derived, along with conditions for the weak and stochastic persistence of cancer cells. Numerical simulations are conducted to support the theoretical findings, highlighting the biological implications of the results.","PeriodicalId":7219,"journal":{"name":"Advanced Theory and Simulations","volume":"32 1","pages":""},"PeriodicalIF":3.3,"publicationDate":"2025-03-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143608691","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 Frequency-Domain Lattice Boltzmann Method (FreqD-LBM): A Versatile Tool to Predict the QCM Response Induced by Structured Samples","authors":"Diethelm Johannsmann, Paul Häusner, Arne Langhoff, Christian Leppin, Ilya Reviakine, Viktor Vanoppen","doi":"10.1002/adts.202401373","DOIUrl":"https://doi.org/10.1002/adts.202401373","url":null,"abstract":"The quartz crystal microbalance with dissipation monitoring (QCM-D) is routinely used to investigate structured samples. Here, a simulation technique is described, that predicts the shifts of frequency and half bandwidth, Δ<i>f_n</i> and ΔΓ<i>_n</i>, of a quartz resonator operating on different overtone orders, <i>n</i>, induced by structured samples in contact with the resonator surface in liquid. The technique, abbreviated as FreqD-LBM, solves the Stokes equation in the frequency domain. The solution provides the complex amplitude of the area-averaged tangential stress at the resonator surface, from which Δ<i>f_n</i> and ΔΓ<i>_n</i> are derived. Because the dynamical variables are complex amplitudes, the viscosity can be complex, as well. The technique naturally covers viscoelasticity. Limitations are linked to the grid resolution and to problems at large viscosity. Validation steps include viscoelastic films, rough surfaces, an oscillating cylinder in a viscous medium, and a free-floating sphere above the resonator. Application examples are soft adsorbed particles, stiff adsorbed particles, and a large, immobile spherical cap above the resonator, which allows to study the high-frequency properties of the material in the gap. FreqDLBM runs on an office PC and does not require expert knowledge of numerical techniques. It is accessible to an experimentalist.","PeriodicalId":7219,"journal":{"name":"Advanced Theory and Simulations","volume":"22 1","pages":""},"PeriodicalIF":3.3,"publicationDate":"2025-03-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143600012","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":"Issue Information (Adv. Theory Simul. 3/2025)","authors":"","doi":"10.1002/adts.202570006","DOIUrl":"https://doi.org/10.1002/adts.202570006","url":null,"abstract":"","PeriodicalId":7219,"journal":{"name":"Advanced Theory and Simulations","volume":"8 3","pages":""},"PeriodicalIF":2.9,"publicationDate":"2025-03-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://onlinelibrary.wiley.com/doi/epdf/10.1002/adts.202570006","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143595036","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":"Impact of Electro-Magnets on Enhanced Hall-Effect Amplifier Nanoscale Device (HAND) – Part 2: Optimization Review","authors":"Raz Mottes, Elior Haffner, Daniel Netanyahu, Avi Karsenty","doi":"10.1002/adts.202500033","DOIUrl":"https://doi.org/10.1002/adts.202500033","url":null,"abstract":"A series of complex, complementary numerical and analytical analyses are performed toward the challenging fabrication of the next generation of a nanometric device entitled hall amplifier nanoscale device (HAND). This nanoscale device, based on the well-known macro–Hall effect, possesses two modes of operation: Amplification mode, using a direct current (DC) applied voltage, and Mixer mode, using an alternating current (AC) applied voltage. Per the Hall effect, the device receives a current as an input, and creates a voltage as an output, creating low input impedance, as well as high output impedance. Models are developed to forecast the device's functionality, quality and reliability, with a focus on phenomena such as local heat transfer and mega-magnet feasibility inside integrated circuits. The pre-processing optimization study focused on two main areas (among others): The material composition of the device (e.g., superconductors, ferromagnetic materials, and graphene), and its geometry (e.g., bar, coil, shape, dimensions, and more). As compared to existing Hall effect-based micro- and nanoscale sensors and devices, HAND presents broader opportunities with its two modes of operation, with possible usage in electronic circuits at very high frequencies (tens of Terahertz (THz)), increasing computing rates in the microelectronics industry.","PeriodicalId":7219,"journal":{"name":"Advanced Theory and Simulations","volume":"13 1","pages":""},"PeriodicalIF":3.3,"publicationDate":"2025-03-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143600016","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}