In the present manuscript, the effect of vacancy and Stone‐Wales defects (SWD) on the structural and electronic properties of zigzag GaN nanoribbons (ZGaNNR) is investigated. Apart from the conventional SWD ( rotation of formula unit), the rotation of formula unit i.e., Ga–N by and is also considered, which revealed remarkable findings. It is observed that the incorporation of considered defects is an exothermic process and the proposed structures are energetically feasible to be obtained. The considered vacancy defects settled in a magnetic ground state while the SWD always prefer a non‐magnetic state. The observed magnetic state is always stable by more than 400 meV compared to the corresponding non‐magnetic state. Furthermore, N‐vacancy defect is energetically preferred over Ga‐vacancy as well as the SWD. The electronic properties of ZGaNNR are highly influenced by the incorporation of vacancy or SWD. A semiconductor to metallic transition for vacancy defects whereas reduction in the bandgap has been witnessed for SWD. A direct to indirect conversion as well as spin polarization was also noticed in the selected geometries. The findings indicate that apart from tailoring the electronic properties, these defects can also be used for the realization of magnetic semiconductors for potential spintronic applications.
{"title":"Effect of Defects to Tailor the Structural and Electronic Properties of Zigzag GaN Nanoribbons","authors":"Ankita Nemu, Neeraj K. Jaiswal","doi":"10.1002/adts.202400626","DOIUrl":"https://doi.org/10.1002/adts.202400626","url":null,"abstract":"In the present manuscript, the effect of vacancy and Stone‐Wales defects (SWD) on the structural and electronic properties of zigzag GaN nanoribbons (ZGaNNR) is investigated. Apart from the conventional SWD ( rotation of formula unit), the rotation of formula unit i.e., Ga–N by and is also considered, which revealed remarkable findings. It is observed that the incorporation of considered defects is an exothermic process and the proposed structures are energetically feasible to be obtained. The considered vacancy defects settled in a magnetic ground state while the SWD always prefer a non‐magnetic state. The observed magnetic state is always stable by more than 400 meV compared to the corresponding non‐magnetic state. Furthermore, N‐vacancy defect is energetically preferred over Ga‐vacancy as well as the SWD. The electronic properties of ZGaNNR are highly influenced by the incorporation of vacancy or SWD. A semiconductor to metallic transition for vacancy defects whereas reduction in the bandgap has been witnessed for SWD. A direct to indirect conversion as well as spin polarization was also noticed in the selected geometries. The findings indicate that apart from tailoring the electronic properties, these defects can also be used for the realization of magnetic semiconductors for potential spintronic applications.","PeriodicalId":7219,"journal":{"name":"Advanced Theory and Simulations","volume":"67 1","pages":""},"PeriodicalIF":3.3,"publicationDate":"2024-10-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142448462","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}
The main aim of this study is to obtain novel molecules that are more selective on cancer cells compared to healthy cells. For this purpose, four hit molecules are identified using 11 new pharmacophore hypotheses followed by scanning the in-house database. Then, based on those hit molecules, the synthesis and analysis of four different series (three quinazolines and one quinoline series) are carried out, and their anticancer activity is investigated. Finally, by using molecular docking and dynamics simulation methods, binding mode and structure–activity relationship are examined. Among the quinazolin-4(3H)-one derivatives, those containing halogen atom are found to be potentially effective, while the best epidermal growth factor receptor (EGFR) inhibition and apoptosis induction are displayed by compounds containing 4-amino-1,2,4-triazole moiety. Notably, four compounds (4h, 8d, 8l, and 8m) show EGFR inhibition activity at 5.298 ± 0.164, 5.46 ± 0.221, 2.670 ± 0.124, and 2.191 ± 0.908 × 10−9m, their inhibitory activity is similar to or stronger than gefitinib (IC50: 4.169 ± 0.156 × 10−9m). In addition, EGFR inhibitor concentration of 4g, 8e, and 8o is determined as 27588 ± 6.945, 52.41 ± 2.312, and 33657 ± 8.512 × 10−9m. These findings indicate that generated pharmacophore hypotheses successfully determine new EGFR inhibitors. In conclusion, four novel compounds, more active than gefitinib with fewer side effects, are reached, and the structure–activity relationships are clarified.
{"title":"Pharmacophore-Based Modeling, Synthesis, and Biological Evaluation of Novel Quinazoline/Quinoline Derivatives: Discovery of EGFR Inhibitors with Low Nanomolar Activity","authors":"Asaf Evrim Evren, Begüm Nurpelin Sağlik Özkan, Gülşen Akalin-Çiftçi, Leyla Yurttaş","doi":"10.1002/adts.202400811","DOIUrl":"https://doi.org/10.1002/adts.202400811","url":null,"abstract":"The main aim of this study is to obtain novel molecules that are more selective on cancer cells compared to healthy cells. For this purpose, four hit molecules are identified using 11 new pharmacophore hypotheses followed by scanning the in-house database. Then, based on those hit molecules, the synthesis and analysis of four different series (three quinazolines and one quinoline series) are carried out, and their anticancer activity is investigated. Finally, by using molecular docking and dynamics simulation methods, binding mode and structure–activity relationship are examined. Among the quinazolin-4(<i>3H</i>)-one derivatives, those containing halogen atom are found to be potentially effective, while the best epidermal growth factor receptor (EGFR) inhibition and apoptosis induction are displayed by compounds containing 4-amino-1,2,4-triazole moiety. Notably, four compounds (<b>4h, 8d, 8l,</b> and <b>8m</b>) show EGFR inhibition activity at 5.298 ± 0.164, 5.46 ± 0.221, 2.670 ± 0.124, and 2.191 ± 0.908 × 10<sup>−9</sup> <span>m</span>, their inhibitory activity is similar to or stronger than gefitinib (IC<sub>50</sub>: 4.169 ± 0.156 × 10<sup>−9</sup> <span>m</span>). In addition, EGFR inhibitor concentration of <b>4g, 8e,</b> and <b>8o</b> is determined as 27588 ± 6.945, 52.41 ± 2.312, and 33657 ± 8.512 × 10<sup>−9</sup> <span>m</span>. These findings indicate that generated pharmacophore hypotheses successfully determine new EGFR inhibitors. In conclusion, four novel compounds, more active than gefitinib with fewer side effects, are reached, and the structure–activity relationships are clarified.","PeriodicalId":7219,"journal":{"name":"Advanced Theory and Simulations","volume":"232 1","pages":""},"PeriodicalIF":3.3,"publicationDate":"2024-10-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142448476","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}
Saúl J.C. Salazar, Humberto G. Laguna, Robin P. Sagar
Analytical expressions for pair and higher-order mutual information measures in position and momentum space are examined for many-particle (<span data-altimg="/cms/asset/7a96fe85-1c08-4ed1-aa4e-e5cc85348515/adts202400777-math-0004.png"></span><mjx-container ctxtmenu_counter="365" ctxtmenu_oldtabindex="1" jax="CHTML" role="application" sre-explorer- style="font-size: 103%; position: relative;" tabindex="0"><mjx-math aria-hidden="true" location="graphic/adts202400777-math-0004.png"><mjx-semantics><mjx-mi data-semantic-annotation="clearspeak:simple" data-semantic-font="italic" data-semantic- data-semantic-role="latinletter" data-semantic-speech="upper N" 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:adts202400777:adts202400777-math-0004" display="inline" location="graphic/adts202400777-math-0004.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="latinletter" data-semantic-speech="upper N" data-semantic-type="identifier">N</mi>$N$</annotation></semantics></math></mjx-assistive-mml></mjx-container>) coupled oscillator systems in their ground states. These relations reveal that the magnitudes of the statistical correlations monotonically increase with the strength of the particle interaction for all particle numbers (<span data-altimg="/cms/asset/1df474c4-b958-4dda-961a-c98491554218/adts202400777-math-0005.png"></span><mjx-container ctxtmenu_counter="366" ctxtmenu_oldtabindex="1" jax="CHTML" role="application" sre-explorer- style="font-size: 103%; position: relative;" tabindex="0"><mjx-math aria-hidden="true" location="graphic/adts202400777-math-0005.png"><mjx-semantics><mjx-mi data-semantic-annotation="clearspeak:simple" data-semantic-font="italic" data-semantic- data-semantic-role="latinletter" data-semantic-speech="upper N" 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:adts202400777:adts202400777-math-0005" display="inline" location="graphic/adts202400777-math-0005.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="latinletter" data-semantic-speech="upper N" data-semantic-type="identifier">N</mi>$N$</annotation></semantics></math></mjx-assistive-mml></mjx-container>). On the other hand, the magnitudes of the measures monotonically decrease as <span data-altimg="/cms/asset/7ec68f81-bd35-4642-ac7d-7a9d437ce2bf/adts202400777-math-0006.png"></span><mjx-container ctxtmenu_counter="367" ctxtmenu_oldtabindex="1" jax="CHTML" role="application" sre-explorer- style="font-size: 103%; position: relative;" tabindex="0"><mjx-math aria-hidden="true" location="grap
{"title":"Tuning Pair and Higher-Order Mutual Information Measures in Oscillator Systems with N-Dependent Frequencies","authors":"Saúl J.C. Salazar, Humberto G. Laguna, Robin P. Sagar","doi":"10.1002/adts.202400777","DOIUrl":"https://doi.org/10.1002/adts.202400777","url":null,"abstract":"Analytical expressions for pair and higher-order mutual information measures in position and momentum space are examined for many-particle (<span data-altimg=\"/cms/asset/7a96fe85-1c08-4ed1-aa4e-e5cc85348515/adts202400777-math-0004.png\"></span><mjx-container ctxtmenu_counter=\"365\" ctxtmenu_oldtabindex=\"1\" jax=\"CHTML\" role=\"application\" sre-explorer- style=\"font-size: 103%; position: relative;\" tabindex=\"0\"><mjx-math aria-hidden=\"true\" location=\"graphic/adts202400777-math-0004.png\"><mjx-semantics><mjx-mi data-semantic-annotation=\"clearspeak:simple\" data-semantic-font=\"italic\" data-semantic- data-semantic-role=\"latinletter\" data-semantic-speech=\"upper N\" 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:adts202400777:adts202400777-math-0004\" display=\"inline\" location=\"graphic/adts202400777-math-0004.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=\"latinletter\" data-semantic-speech=\"upper N\" data-semantic-type=\"identifier\">N</mi>$N$</annotation></semantics></math></mjx-assistive-mml></mjx-container>) coupled oscillator systems in their ground states. These relations reveal that the magnitudes of the statistical correlations monotonically increase with the strength of the particle interaction for all particle numbers (<span data-altimg=\"/cms/asset/1df474c4-b958-4dda-961a-c98491554218/adts202400777-math-0005.png\"></span><mjx-container ctxtmenu_counter=\"366\" ctxtmenu_oldtabindex=\"1\" jax=\"CHTML\" role=\"application\" sre-explorer- style=\"font-size: 103%; position: relative;\" tabindex=\"0\"><mjx-math aria-hidden=\"true\" location=\"graphic/adts202400777-math-0005.png\"><mjx-semantics><mjx-mi data-semantic-annotation=\"clearspeak:simple\" data-semantic-font=\"italic\" data-semantic- data-semantic-role=\"latinletter\" data-semantic-speech=\"upper N\" 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:adts202400777:adts202400777-math-0005\" display=\"inline\" location=\"graphic/adts202400777-math-0005.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=\"latinletter\" data-semantic-speech=\"upper N\" data-semantic-type=\"identifier\">N</mi>$N$</annotation></semantics></math></mjx-assistive-mml></mjx-container>). On the other hand, the magnitudes of the measures monotonically decrease as <span data-altimg=\"/cms/asset/7ec68f81-bd35-4642-ac7d-7a9d437ce2bf/adts202400777-math-0006.png\"></span><mjx-container ctxtmenu_counter=\"367\" ctxtmenu_oldtabindex=\"1\" jax=\"CHTML\" role=\"application\" sre-explorer- style=\"font-size: 103%; position: relative;\" tabindex=\"0\"><mjx-math aria-hidden=\"true\" location=\"grap","PeriodicalId":7219,"journal":{"name":"Advanced Theory and Simulations","volume":"49 1","pages":""},"PeriodicalIF":3.3,"publicationDate":"2024-10-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142448461","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}
The primary goal of this study is to create a wavelet collocation technique that can be used to solve nonlinear fractional order systems of ordinary differential equations, which are equations that arise in modeling problems related to auto-catalytic chemical reactions. Using the Hermite wavelet collocation method (HWCM), the system of nonlinear ordinary differential equations of integer and fractional order is numerically solved. The nonlinear Brusselator system is transformed into an algebraic equation system using the collocation method and the fractional derivative operational matrices. The Newton-Raphson method is used to solve these algebraic equations, and the approximate values of the derived unknown coefficients are substituted. Through the numerical examples, the method's computational effectiveness and correctness are illustrated with various model constraints. A numerical comparison is made between the current approach ND solver, RK method, and Haar wavelet method (HWM). The efficiency and reliability of the developed strategy's performance are shown in graphs and tables. The created Hermite wavelet collocation method is resilient and has good accuracy compared to current methods found in the literature. Numerical computations are performed through Mathematica, a mathematical software.
{"title":"Modified Hermite Wavelet Discrete Matrix Approach for the Brusselator Chemical Model","authors":"Yeshwanth R., Kumbinarasaiah S","doi":"10.1002/adts.202400903","DOIUrl":"https://doi.org/10.1002/adts.202400903","url":null,"abstract":"The primary goal of this study is to create a wavelet collocation technique that can be used to solve nonlinear fractional order systems of ordinary differential equations, which are equations that arise in modeling problems related to auto-catalytic chemical reactions. Using the Hermite wavelet collocation method (HWCM), the system of nonlinear ordinary differential equations of integer and fractional order is numerically solved. The nonlinear Brusselator system is transformed into an algebraic equation system using the collocation method and the fractional derivative operational matrices. The Newton-Raphson method is used to solve these algebraic equations, and the approximate values of the derived unknown coefficients are substituted. Through the numerical examples, the method's computational effectiveness and correctness are illustrated with various model constraints. A numerical comparison is made between the current approach ND solver, RK method, and Haar wavelet method (HWM). The efficiency and reliability of the developed strategy's performance are shown in graphs and tables. The created Hermite wavelet collocation method is resilient and has good accuracy compared to current methods found in the literature. Numerical computations are performed through Mathematica, a mathematical software.","PeriodicalId":7219,"journal":{"name":"Advanced Theory and Simulations","volume":"24 1","pages":""},"PeriodicalIF":3.3,"publicationDate":"2024-10-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142440631","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}
Song Wu, Yihang Zhang, Yangsen Hu, Geng Wang, Zhao Liu, Jinye Zhang, Xiao Ji
This paper proposes a hybrid mechanism based on phase cancellation and absorption to design a metasurface with ultra-wideband 10 dB radar cross-section (RCS) reduction from 6 to 64.7 GHz (171%). At high frequencies of 15–64.7 GHz, 10 dB RCS reduction is achieved by a phase cancellation mechanism, which is realized by arranging a perfect electric conductor (PEC) to form an arrayed structure with varying heights. At low frequencies of 6–15 GHz, 10 dB RCS reduction is achieved by the absorption mechanism, which is realized by designing a rotationally symmetric dual-pattern absorber. The coupled mode theory (CMT) is used to explain the absorption mechanism. Additionally, it is found that a 180° phase difference is obtained by two different patterns to enhance RCS reduction in the high-frequency band of 28–35 GHz. Finally, the phase cancellation and absorption mechanisms are combined to achieve an ultra-wideband 10 dB RCS reduction from 6 to 64.7 GHz, which is realized by integrating the absorber into the arrayed structure to form the ultra-wideband RCS reduction metasurface. The designed metasurface has a compact size (subwavelength), and a thin profile with 0.105λL.
{"title":"A Hybrid Mechanism Metasurface Based on Absorption and Phase Cancellation for Ultra-Wideband RCS Reduction","authors":"Song Wu, Yihang Zhang, Yangsen Hu, Geng Wang, Zhao Liu, Jinye Zhang, Xiao Ji","doi":"10.1002/adts.202400643","DOIUrl":"https://doi.org/10.1002/adts.202400643","url":null,"abstract":"This paper proposes a hybrid mechanism based on phase cancellation and absorption to design a metasurface with ultra-wideband 10 dB radar cross-section (RCS) reduction from 6 to 64.7 GHz (171%). At high frequencies of 15–64.7 GHz, 10 dB RCS reduction is achieved by a phase cancellation mechanism, which is realized by arranging a perfect electric conductor (PEC) to form an arrayed structure with varying heights. At low frequencies of 6–15 GHz, 10 dB RCS reduction is achieved by the absorption mechanism, which is realized by designing a rotationally symmetric dual-pattern absorber. The coupled mode theory (CMT) is used to explain the absorption mechanism. Additionally, it is found that a 180° phase difference is obtained by two different patterns to enhance RCS reduction in the high-frequency band of 28–35 GHz. Finally, the phase cancellation and absorption mechanisms are combined to achieve an ultra-wideband 10 dB RCS reduction from 6 to 64.7 GHz, which is realized by integrating the absorber into the arrayed structure to form the ultra-wideband RCS reduction metasurface. The designed metasurface has a compact size (subwavelength), and a thin profile with 0.105λ<sub>L</sub>.","PeriodicalId":7219,"journal":{"name":"Advanced Theory and Simulations","volume":"67 1","pages":""},"PeriodicalIF":3.3,"publicationDate":"2024-10-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142431652","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}
Xiaofeng Xiang, Rafid Hassan Palash, Eiji Yagyu, Scott T. Dunham, Koon Hoo Teo, Nadim Chowdhury
GaN High Electron Mobility Transistors (HEMTs) plays a vital role in high‐power and high‐frequency electronics. Meeting the demanding performance requirements of these devices without compromising reliability is a challenging endeavor. Field Plates are employed to redistribute the electric field, minimizing the risk of device failure, especially in high‐voltage operations. While machine learning is applied to GaN device design, its application to field plate structures, known for their geometric complexity, is limited. This study introduces a novel approach to streamlining the field plate design process. It transforms complex 2D field plate structures into a concise feature space, reducing data requirements. A machine learning‐assisted design framework is proposed to optimize field plate structures and perform inverse design. This approach is not exclusive to the design of GaN HEMTs and can be extended to various semiconductor devices with field plate structures. The framework combines technology computer‐aided design (TCAD), machine learning, and optimization, streamlining the design process.
{"title":"AI‐assisted Field Plate Design of GaN HEMT Device","authors":"Xiaofeng Xiang, Rafid Hassan Palash, Eiji Yagyu, Scott T. Dunham, Koon Hoo Teo, Nadim Chowdhury","doi":"10.1002/adts.202400347","DOIUrl":"https://doi.org/10.1002/adts.202400347","url":null,"abstract":"GaN High Electron Mobility Transistors (HEMTs) plays a vital role in high‐power and high‐frequency electronics. Meeting the demanding performance requirements of these devices without compromising reliability is a challenging endeavor. Field Plates are employed to redistribute the electric field, minimizing the risk of device failure, especially in high‐voltage operations. While machine learning is applied to GaN device design, its application to field plate structures, known for their geometric complexity, is limited. This study introduces a novel approach to streamlining the field plate design process. It transforms complex 2D field plate structures into a concise feature space, reducing data requirements. A machine learning‐assisted design framework is proposed to optimize field plate structures and perform inverse design. This approach is not exclusive to the design of GaN HEMTs and can be extended to various semiconductor devices with field plate structures. The framework combines technology computer‐aided design (TCAD), machine learning, and optimization, streamlining the design process.","PeriodicalId":7219,"journal":{"name":"Advanced Theory and Simulations","volume":"9 1","pages":""},"PeriodicalIF":3.3,"publicationDate":"2024-10-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142415597","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}
Over the past few decades, origami‐inspired structures have attracted great attention across various engineering fields due to their unique geometric and mechanical characteristics. Additionally, combining origami structures with active materials is employed to achieve programmable mechanical properties and self‐reconfigurability under external stimuli. In this work, a novel family of truncated cuboctahedral origami metastructures is proposed. These designs integrate shape memory polymers (SMPs) to actively achieve programmable mechanical properties and shape memory behavior. By utilizing SMPs for the creases and stiff materials for the panels, this approach enables deformation along the creases while enhancing the overall structural robustness. The mechanical properties and shape memory processes of these structures are investigated in detail. The proposed origami metastructures exhibit a negative Poisson's ratio and demonstrate excellent energy storage capabilities. Notably, their mechanical properties can be programmed by controlling both temperature and geometric parameters. More particularly, their Poisson's ratio can be tuned within a range of zero to −1. As a result, these truncated cuboctahedral origami metastructures hold significant potential for applications across various engineering domains, particularly in composite structures and active metamaterials.
{"title":"Programmable Truncated Cuboctahedral Origami Metastructures Actuated by Shape Memory Polymer Hinges","authors":"Yao Chen, Zerui Shao, Jian Feng, Pooya Sareh","doi":"10.1002/adts.202400594","DOIUrl":"https://doi.org/10.1002/adts.202400594","url":null,"abstract":"Over the past few decades, origami‐inspired structures have attracted great attention across various engineering fields due to their unique geometric and mechanical characteristics. Additionally, combining origami structures with active materials is employed to achieve programmable mechanical properties and self‐reconfigurability under external stimuli. In this work, a novel family of truncated cuboctahedral origami metastructures is proposed. These designs integrate shape memory polymers (SMPs) to actively achieve programmable mechanical properties and shape memory behavior. By utilizing SMPs for the creases and stiff materials for the panels, this approach enables deformation along the creases while enhancing the overall structural robustness. The mechanical properties and shape memory processes of these structures are investigated in detail. The proposed origami metastructures exhibit a negative Poisson's ratio and demonstrate excellent energy storage capabilities. Notably, their mechanical properties can be programmed by controlling both temperature and geometric parameters. More particularly, their Poisson's ratio can be tuned within a range of zero to −1. As a result, these truncated cuboctahedral origami metastructures hold significant potential for applications across various engineering domains, particularly in composite structures and active metamaterials.","PeriodicalId":7219,"journal":{"name":"Advanced Theory and Simulations","volume":"20 1","pages":""},"PeriodicalIF":3.3,"publicationDate":"2024-10-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142415647","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":"Masthead (Adv. Theory Simul. 10/2024)","authors":"","doi":"10.1002/adts.202470024","DOIUrl":"10.1002/adts.202470024","url":null,"abstract":"","PeriodicalId":7219,"journal":{"name":"Advanced Theory and Simulations","volume":"7 10","pages":""},"PeriodicalIF":2.9,"publicationDate":"2024-10-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://onlinelibrary.wiley.com/doi/epdf/10.1002/adts.202470024","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142398504","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}
In this script, a Gallium Nitride (GaN)-based FinFET structure is proposed with a multi-channel device that is designed and simulated. Here, the 3D-Sentaures TCAD simulator is used to investigate the analog/radio frequency performance and linearity of the MultiFin-Schottky Barrier FinFET with different temperatures of 100–400 K. The proposed device underwent a temperature analysis, where critical parameters include drain current, ION/IOFF ratio, Transconductance (gm), higher-order terms (gm2 and gm3), Gain Bandwidth Product (GBP), Cut-off Frequency (fT), Transit Time (τ), Transconductance Generation Factor (TGF), Transconductance Frequency Product (TFP), Voltage Input Intercept Point (VIP2, VIP3), Input Intercept Point (IIP3), and Third Order Intermodulation Distortion (IMD3) is thoroughly examined. Thus, the proposed GaN-based FinFET validates as a strong potential contender for GaN-based analog/RF applications.
{"title":"Temperature-Induced Changes in Multifin-Schottky Barrier FinFETs: An Analog/RF Linearity Investigation","authors":"V Shalini, Prashanth Kumar","doi":"10.1002/adts.202400531","DOIUrl":"https://doi.org/10.1002/adts.202400531","url":null,"abstract":"In this script, a Gallium Nitride (GaN)-based FinFET structure is proposed with a multi-channel device that is designed and simulated. Here, the 3D-Sentaures TCAD simulator is used to investigate the analog/radio frequency performance and linearity of the MultiFin-Schottky Barrier FinFET with different temperatures of 100–400 K. The proposed device underwent a temperature analysis, where critical parameters include drain current, I<sub>ON</sub>/I<sub>OFF</sub> ratio, Transconductance (g<sub>m</sub>), higher-order terms (g<sub>m2</sub> and g<sub>m3</sub>), Gain Bandwidth Product (GBP), Cut-off Frequency (f<sub>T</sub>), Transit Time (τ), Transconductance Generation Factor (TGF), Transconductance Frequency Product (TFP), Voltage Input Intercept Point (VIP<sub>2</sub>, VIP<sub>3</sub>), Input Intercept Point (IIP<sub>3</sub>), and Third Order Intermodulation Distortion (IMD<sub>3</sub>) is thoroughly examined. Thus, the proposed GaN-based FinFET validates as a strong potential contender for GaN-based analog/RF applications.","PeriodicalId":7219,"journal":{"name":"Advanced Theory and Simulations","volume":"15 1","pages":""},"PeriodicalIF":3.3,"publicationDate":"2024-10-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142398503","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}
Based on the reaching-law strategy, the sliding mode control (SMC) has drawn considerable attention for its ability to enhance the dynamic quality of a system's convergence performance and reduce the chattering phenomenon effectively. Inspired by the traditional Chinese classic Journey to the West, the adversarial relationship between “Wukong” and the monster is paralleled with the relationship between the designed adaptive reaching law and the chattering phenomenon within SMC. In this analogy, the winding body of the monster represents the chattering phenomenon, while Wukong striking with a golden cudgel symbolizes a mitigation of this shaking effect. The proposed adaptive reaching law, building on the work of Wang et al. (2014), improves upon previous adaptive gains to ensure the stable system operation. The new adaptive gain converges to a small neighborhood around the origin, preventing chattering and enabling system tracking errors to converge within a finite time. For further details, see article number 2300736 by Wei Huang and co-workers.
基于到达律策略的滑模控制（SMC）因其能够提高系统收敛性能的动态质量并有效减少颤振现象而备受关注。受中国传统经典《西游记》的启发，"悟空 "与妖怪之间的敌对关系与 SMC 中设计的自适应达到律与颤振现象之间的关系相类似。在这一比喻中，怪兽蜿蜒的身体代表颤动现象，而悟空用金箍棒击打怪兽则象征着缓解这种颤动效应。在 Wang 等人（2014 年）研究成果的基础上，提出的自适应达标法则改进了之前的自适应增益，以确保系统稳定运行。新的自适应增益收敛到原点周围的一个小邻域，防止了颤振，并使系统跟踪误差在有限时间内收敛。更多详情，请参阅黄伟及其合作者发表的文章，文章编号 2300736。
{"title":"A New Adaptive Sliding Mode Reaching Law: Theoretical Design and Simulation Analysis (Adv. Theory Simul. 10/2024)","authors":"Shuangxi Liu, Zehuai Lin, Wei Huang, Binbin Yan","doi":"10.1002/adts.202470023","DOIUrl":"10.1002/adts.202470023","url":null,"abstract":"<p>Based on the reaching-law strategy, the sliding mode control (SMC) has drawn considerable attention for its ability to enhance the dynamic quality of a system's convergence performance and reduce the chattering phenomenon effectively. Inspired by the traditional Chinese classic <i>Journey to the West</i>, the adversarial relationship between “Wukong” and the monster is paralleled with the relationship between the designed adaptive reaching law and the chattering phenomenon within SMC. In this analogy, the winding body of the monster represents the chattering phenomenon, while Wukong striking with a golden cudgel symbolizes a mitigation of this shaking effect. The proposed adaptive reaching law, building on the work of Wang et al. (2014), improves upon previous adaptive gains to ensure the stable system operation. The new adaptive gain converges to a small neighborhood around the origin, preventing chattering and enabling system tracking errors to converge within a finite time. For further details, see article number 2300736 by Wei Huang and co-workers.\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":"7 10","pages":""},"PeriodicalIF":2.9,"publicationDate":"2024-10-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://onlinelibrary.wiley.com/doi/epdf/10.1002/adts.202470023","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142398505","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}
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