AIP Advances最新文献_第3页

The effects of metal oxides doping on the surface stability of In2O3 for CO2 hydrogenation 掺杂金属氧化物对 In2O3 在 CO2 加氢过程中表面稳定性的影响

IF 1.6 4区物理与天体物理

AIP Advances Pub Date : 2024-09-13 DOI: 10.1063/5.0224256

Xingtang Xu, Yanwei Li, Guang Sun, Jianliang Cao, Yan Wang, Xulong Qin

{"title":"The effects of metal oxides doping on the surface stability of In2O3 for CO2 hydrogenation","authors":"Xingtang Xu, Yanwei Li, Guang Sun, Jianliang Cao, Yan Wang, Xulong Qin","doi":"10.1063/5.0224256","DOIUrl":"https://doi.org/10.1063/5.0224256","url":null,"abstract":"The significance of maintaining the surface stability of the In2O3 catalyst in the conversion of CO2 to methanol through hydrogenation cannot be overstated. To improve surface stability, doping with metal oxides is usually employed. To explore high-efficiency In2O3 based catalysts, density functional theory calculations were utilized to explore the effects of doping CuO, Co2O3, NiO, TiO2, HfO2, Nb2O3, Ta2O5, and CeO2 on the stability of the In2O3(110) surface. It was found that in a CO atmosphere, the crucial step in determining the creation of oxygen vacancies on the In2O3 plane occurred during the desorption of CO2 from the vacancy location. The results indicate that doping CuO, Co2O3, NiO, Nb2O3, Ta2O5, and CeO2 on the In2O3(110) surface promotes the reduction process through the reaction of CO with the O atoms on the surface, resulting in reduced surface stability. Conversely, the doping of Ti and Hf can raise the reaction energy barriers for CO reacting with the O atoms on the surface and enhance CO2 molecule adsorption on vacant sites, thereby suggesting the potential of TiO2 and HfO2 as effective modifiers to improve the efficiency and durability of the In2O3 catalyst. Furthermore, it is crucial to enhance its stability by modifying the density of the electron cloud or Fermi level of the In2O3 catalyst.","PeriodicalId":7619,"journal":{"name":"AIP Advances","volume":"29 1","pages":""},"PeriodicalIF":1.6,"publicationDate":"2024-09-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142252494","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Experimental examination on electrochemical micro-machining of Mg–Li–Sr biomedical alloy: Application of ANOVA, Deng’s similarity, and ANFIS for effective modeling optimization 镁-锂-硒生物医用合金电化学微加工实验研究应用方差分析、邓氏相似性和 ANFIS 有效优化模型

IF 1.6 4区物理与天体物理

AIP Advances Pub Date : 2024-09-13 DOI: 10.1063/5.0220057

V. Kavimani, P. M. Gopal, V. Sivamaran, Sameer Algburi, Debabrata Barik, Prabhu Paramasivam, Abdullah H. Alsabhan, Shamshad Alam

{"title":"Experimental examination on electrochemical micro-machining of Mg–Li–Sr biomedical alloy: Application of ANOVA, Deng’s similarity, and ANFIS for effective modeling optimization","authors":"V. Kavimani, P. M. Gopal, V. Sivamaran, Sameer Algburi, Debabrata Barik, Prabhu Paramasivam, Abdullah H. Alsabhan, Shamshad Alam","doi":"10.1063/5.0220057","DOIUrl":"https://doi.org/10.1063/5.0220057","url":null,"abstract":"In this work, a newly discovered biomedical grade Magnesium–Lithium–Strontium (Mg–Li–Sr) alloy is machined using electrochemical machining technology. Two main output constraints employed on the research project to evaluate machinability are surface roughness (Ra) and material removal rate (MRR). Changing feed rate (FR), current, electrolyte concentration (EC), and voltage is required in order to carry out experimental experiments. The trials were designed using the Taguchi method. The ANOVA findings show that current is the most significant factor, after voltage as the most significant input parameter in regulating Ra and MRR. The ideal parameter configuration for the CRITIC-linked Deng’s similarity approach method was 5 V, 1 A of current, 0.4 mm/min of FR, and 20 g/l of EC. The final product was a 0.0323 mm/min MRR and a 2.61 μm surface roughness. Furthermore, the response variables are anticipated using the adaptive neuro-fuzzy Inference System, which finally results in predictions that are very similar to the experimental results.","PeriodicalId":7619,"journal":{"name":"AIP Advances","volume":"15 1","pages":""},"PeriodicalIF":1.6,"publicationDate":"2024-09-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142252497","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Solid-state reactions at niobium–germanium interfaces in hybrid quantum electronics 混合量子电子学中铌锗界面的固态反应

IF 1.6 4区物理与天体物理

AIP Advances Pub Date : 2024-09-13 DOI: 10.1063/5.0221366

B. Langa, D. Sapkota, I. Lainez, R. Haight, B. Srijanto, L. Feldman, H. Hijazi, X. Zhu, L. Hu, M. Kim, K. Sardashti

引用次数: 0

Semantic segmentation algorithm for pantograph based on multi-scale strip pooling attention mechanism and application research 基于多尺度条带汇集关注机制的受电弓语义分割算法及应用研究

IF 1.6 4区物理与天体物理

AIP Advances Pub Date : 2024-09-13 DOI: 10.1063/5.0230117

Renjie Shi, Liming Li, Shubin Zheng, Yizhou Mao, Xiaoxue An

{"title":"Semantic segmentation algorithm for pantograph based on multi-scale strip pooling attention mechanism and application research","authors":"Renjie Shi, Liming Li, Shubin Zheng, Yizhou Mao, Xiaoxue An","doi":"10.1063/5.0230117","DOIUrl":"https://doi.org/10.1063/5.0230117","url":null,"abstract":"Detecting pantographs remains a challenging task due to complex scenes, variable weather conditions, and noise interference. Existing pantograph detection methods struggle to effectively segment the complete shape of the pantograph from intricate backgrounds and adverse weather, and they often exhibit inadequate real-time performance. To address these challenges, we propose a novel pantograph segmentation method that leverages a deep learning multi-scale strip pooling attention mechanism. Our approach utilizes the PidNet semantic segmentation network as the baseline architecture, while we introduce a newly designed multi-scale strip pooling attention mechanism specifically for the detail extraction branch. The multi-scale strip convolution branch effectively extracts the pantograph pixel-level detail features, while the pooling branch effectively extracts the macroscopic features of the pantograph. The unique linear interpolation method effectively mitigates the influence of weather, enhancing segmentation accuracy while maintaining a lightweight structure. In the context aggregation branch, a multi-scale context aggregation module utilizing gated convolution has been developed to replace the original network’s module, which possesses strong pantograph positioning capabilities. In comparison to existing pantograph detection methods, our model demonstrates the ability to accurately segment the pantograph with a clearly defined shape, effectively filter out extraneous background noise, and exhibit high robustness to variations in illumination and weather conditions. In addition, a rich pantograph dataset was created, including various scenarios and weather conditions, which also enhanced the robustness of the model. When the IOU and accuracy are 92.91% and 96.04%, respectively, the inference speed can still exceed 30 FPS on a single 2080Ti GPU.","PeriodicalId":7619,"journal":{"name":"AIP Advances","volume":"6 1","pages":""},"PeriodicalIF":1.6,"publicationDate":"2024-09-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142252498","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Does the full configuration interaction method based on quantum phase estimation with Trotter decomposition satisfy the size consistency condition? 基于量子相位估计和特罗特分解的全构型相互作用方法是否满足尺寸一致性条件？

IF 1.6 4区物理与天体物理

AIP Advances Pub Date : 2024-09-13 DOI: 10.1063/5.0223661

Kenji Sugisaki

{"title":"Does the full configuration interaction method based on quantum phase estimation with Trotter decomposition satisfy the size consistency condition?","authors":"Kenji Sugisaki","doi":"10.1063/5.0223661","DOIUrl":"https://doi.org/10.1063/5.0223661","url":null,"abstract":"Electronic structure calculations of atoms and molecules are considered to be a promising application for quantum computers. Two key algorithms, the quantum phase estimation (QPE) and the variational quantum eigensolver (VQE), have been extensively studied. The condition that the energy of a dimer consisting of two monomers separated by a large distance should be equal to twice the energy of a monomer, known as size consistency, is essential in quantum chemical calculations. Recently, we reported that the size consistency condition can be violated by Trotterization in the unitary coupled cluster singles and doubles ansatz in the VQE when employing molecular orbitals delocalized to the dimer [Sugisaki et al., J. Comput. Chem. 45, 2204 (2024)]. It is well known that the full configuration interaction (full-CI) energy is invariant to arbitrary rotations of molecular orbitals, and therefore, the QPE-based full-CI should theoretically satisfy the size consistency. However, Trotterization of the time evolution operator can break the size consistency conditions. In this work, we investigated whether size consistency can be maintained with Trotterization of the time evolution operator in QPE-based full-CI calculations. Our numerical simulations revealed that size consistency in the QPE-based full-CI is not automatically violated by using molecular orbitals delocalized to the dimer, but employing an appropriate Trotter decomposition condition is crucial to maintain size consistency. We also report on the acceleration of QPE simulations through the sequential addition of ancillary qubits.","PeriodicalId":7619,"journal":{"name":"AIP Advances","volume":"5 1","pages":""},"PeriodicalIF":1.6,"publicationDate":"2024-09-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142252499","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Numerical investigation and sensitivity analysis of MHD ternary nanofluid flow between perforated squeezed Riga plates under the surveillance of microcantilever sensor 微悬臂传感器监控下穿孔挤压里加板之间的 MHD 三元纳米流体流动的数值研究与敏感性分析

IF 1.6 4区物理与天体物理

AIP Advances Pub Date : 2024-09-13 DOI: 10.1063/5.0218608

Rajakumari Rammoorthi, Dhivya Mohanavel

{"title":"Numerical investigation and sensitivity analysis of MHD ternary nanofluid flow between perforated squeezed Riga plates under the surveillance of microcantilever sensor","authors":"Rajakumari Rammoorthi, Dhivya Mohanavel","doi":"10.1063/5.0218608","DOIUrl":"https://doi.org/10.1063/5.0218608","url":null,"abstract":"This study addresses the magnetohydrodynamic flow of a squeezed ternary nanofluid between two horizontal parallel Riga plates. The importance of this problem lies in understanding the complex interactions between magnetic fields, nanofluid dynamics, and heat transfer, which are crucial for optimizing thermal management systems. This study utilizes a numerical approach, specifically a collocation method implemented in MATLAB, to solve the governing equations with high precision. Key results acquired indicate that the magnetic field and Riga plate actuator significantly enhance fluid velocity, whereas the variation in thermal conductivity, radiation, and viscous dissipation increases the temperature distribution. Quantitative analysis illustrates the impact of all these factors on skin friction and Nusselt number. Sensitivity analysis using the response surface methodology exhibits the conditions for optimized heat transfer. The novelty of this work lies in its comprehensive analysis of the magnetohydrodynamic flow in the presence of a microcantilever sensor, which provides deep understanding of optimization of heat transfer rates. This research offers a detailed examination of the combined effects of various physical phenomena and also validates them through graphical comparisons with existing studies.","PeriodicalId":7619,"journal":{"name":"AIP Advances","volume":"4 1","pages":""},"PeriodicalIF":1.6,"publicationDate":"2024-09-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142252500","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Numerical optimization of lead-based and lead-free absorber materials for perovskite solar cell (PSC) architectures: A SCAPS-1D simulation 针对过氧化物太阳能电池（PSC）结构的铅基和无铅吸收剂材料的数值优化：SCAPS-1D 模拟

IF 1.6 4区物理与天体物理

AIP Advances Pub Date : 2024-09-13 DOI: 10.1063/5.0217486

Mostafizur Rahaman, Mahmudul Hasan, Rayan Md. Moinuddin, Md. Nasirul Islam

{"title":"Numerical optimization of lead-based and lead-free absorber materials for perovskite solar cell (PSC) architectures: A SCAPS-1D simulation","authors":"Mostafizur Rahaman, Mahmudul Hasan, Rayan Md. Moinuddin, Md. Nasirul Islam","doi":"10.1063/5.0217486","DOIUrl":"https://doi.org/10.1063/5.0217486","url":null,"abstract":"Due to the negative environmental impact, the usage of lead in perovskite solar cells has been a matter of concern. Moreover, a suitable replacement of Pb with similar optoelectrical properties is hard to find. MAPbI3 is the most common material that has been studied for solar PV applications. Compared to MAPbI3, Cs2TiBr6 and MASnI3 have been less studied. In this study, their potential in solar cell applications has been investigated. Titanium and tin are two materials that have been used in numerous studies as an alternative to Pb-based perovskite. However, the lack of optimization and combinations of electron transport layer (ETL) and hole transport layer (HTL) material choices leave a lot to be desired. In this study, two different perovskite absorber layers, Cs2TiBr6 and MASnI3, have been simulated, optimized, and compared with Pb-based MAPbI3, where La-doped BaSnO3 is used as ETL and CuSbS2 as HTL in identical cell architectures. La-doped BaSnO3 is well known for its high electron mobility and excellent optical properties, which makes it an ideal candidate for ETL. On the other hand, CuSbS2 has appropriate band alignment with perovskite materials and has a high absorption profile to be used as HTL. The simulations were analyzed by optimizing key parameters like absorber layer thickness, defect density, and temperature. The optimized device architecture reached the power conversion efficiencies (PCE) of 29.45% for MASnI3, followed by MAPbI3 (22.47%) and Cs2TiBr6 (21.96%). The result indicates that high performance lead-free perovskite cells are very much possible through proper material selection and optimization.","PeriodicalId":7619,"journal":{"name":"AIP Advances","volume":"71 1","pages":""},"PeriodicalIF":1.6,"publicationDate":"2024-09-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142252502","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Low-energy N+ ion beam induced chemical vapor deposition using tetraethyl orthosilicate, hexamethyldisiloxane, or hexamethyldigermane 使用正硅酸四乙酯、六甲基二硅氧烷或六甲基二锗烷的低能 N+ 离子束诱导化学气相沉积技术

IF 1.6 4区物理与天体物理

AIP Advances Pub Date : 2024-09-11 DOI: 10.1063/5.0214908

Satoru Yoshimura, Takae Takeuchi, Masato Kiuchi

引用次数: 0

Atomistic simulation study of Li5GaO4 for lithium-ion batteries 用于锂离子电池的 Li5GaO4 原子模拟研究

IF 1.6 4区物理与天体物理

AIP Advances Pub Date : 2024-09-11 DOI: 10.1063/5.0213136

Sathiyamoorthy Mathushan, Poobalasingam Abiman, Poobalasuntharam Iyngaran, Navaratnarajah Kuganathan

{"title":"Atomistic simulation study of Li5GaO4 for lithium-ion batteries","authors":"Sathiyamoorthy Mathushan, Poobalasingam Abiman, Poobalasuntharam Iyngaran, Navaratnarajah Kuganathan","doi":"10.1063/5.0213136","DOIUrl":"https://doi.org/10.1063/5.0213136","url":null,"abstract":"The advancement of rechargeable batteries for electronic devices requires continuous development of innovative materials for anodes, cathodes, and electrolytes. Li5GaO4 stands out as a promising electrode material for lithium-ion batteries, demonstrating swift Li-ion conductivity. Employing sophisticated computational simulation techniques based on classical potentials, we investigate the defect, diffusion, and dopant characteristics of Li5GaO4. Our simulations reveal that the Li Frenkel defect process possesses a minimum energy of 1.00 eV, while the Li–Ga anti-site isolated defect exhibits a higher energy. The Li–Ga anti-site cluster defect is favored over the Li–Ga anti-site isolated defect due to an exothermic binding of isolated defects forming a cluster (−2.28 eV). The projected long-range Li diffusion pathway aligns along the c-axis, featuring an activation energy of 0.42 eV. Notably, Na and Al emerge as the most promising isovalent dopants for the Li and Ge sites, respectively, with solution energies of −0.92 and 3.62 eV. Furthermore, the introduction of Si doping at the Ga site facilitates the formation of Li vacancies. This study offers crucial insights into the design of advanced materials, improving the capacity and performance of lithium-ion batteries, particularly addressing challenges associated with liquid electrolytes by utilizing solid electrolytes.","PeriodicalId":7619,"journal":{"name":"AIP Advances","volume":"22 1","pages":""},"PeriodicalIF":1.6,"publicationDate":"2024-09-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142185390","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Simulation of auto-expansion high voltage SF6 circuit breaker breaking process considering valve motion 考虑阀门运动的自动膨胀高压 SF6 断路器分断过程仿真

IF 1.6 4区物理与天体物理

AIP Advances Pub Date : 2024-09-11 DOI: 10.1063/5.0222063

Ze Guo, Weimeng Han, Zixu Guo, Hang Liu, Chuanjun Ma

引用次数: 0