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Multiscale Theoretical Calculations Empower Robust Electric Double Layer Toward Highly Reversible Zinc Anode
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作者 Yufan Xia Zhen Luo +6 位作者 Shuang Chen Yang Xiang Gao Weng Hongge Pan Ben Bin Xu Mi Yan Yinzhu Jiang 《Nano-Micro Letters》 2026年第3期406-427,共22页
The electric double layer(EDL)at the electrochemical interface is crucial for ion transport,charge transfer,and surface reactions in aqueous rechargeable zinc batteries(ARZBs).However,Zn anodes routinely encounter per... The electric double layer(EDL)at the electrochemical interface is crucial for ion transport,charge transfer,and surface reactions in aqueous rechargeable zinc batteries(ARZBs).However,Zn anodes routinely encounter persistent dendrite growth and parasitic reactions,driven by the inhomogeneous charge distribution and water-dominated environment within the EDL.Compounding this,classical EDL theory,rooted in meanfield approximations,further fails to resolve molecular-scale interfacial dynamics under battery-operating conditions,limiting mechanistic insights.Herein,we established a multiscale theoretical calculation framework from single molecular characteristics to interfacial ion distribution,revealing the EDL’s structure and interactions between different ions and molecules,which helps us understand the parasitic processes in depth.Simulations demonstrate that water dipole and sulfate ion adsorption at the inner Helmholtz plane drives severe hydrogen evolution and by-product formation.Guided by these insights,we engineered a“water-poor and anion-expelled”EDL using 4,1’,6’-trichlorogalactosucrose(TGS)as an electrolyte additive.As a result,Zn||Zn symmetric cells with TGS exhibited stable cycling for over 4700 h under a current density of 1 mA cm^(−2),while NaV_(3)O_(8)·1.5H_(2)O-based full cells kept 90.4%of the initial specific capacity after 800 cycles at 5 A g^(−1).This work highlights the power of multiscale theoretical frameworks to unravel EDL complexities and guide high-performance ARZB design through integrated theory-experiment approaches. 展开更多
关键词 Zn anode Theoretical calculations Electric double layers Aqueous rechargeable zinc batteries
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Hybrid N-order Lagrangian Interpolation Eulerian-Lagrangian Method for Salinity Calculation 被引量:2
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作者 吴炎成 朱首贤 +2 位作者 周林 游小宝 张文静 《China Ocean Engineering》 SCIE EI CSCD 2016年第2期283-295,共13页
The Eulerian?Lagrangian method(ELM) has been used by many ocean models as the solution of the advection equation,but the numerical error caused by interpolation imposes restriction on its accuracy.In the present st... The Eulerian?Lagrangian method(ELM) has been used by many ocean models as the solution of the advection equation,but the numerical error caused by interpolation imposes restriction on its accuracy.In the present study,hybrid N-order Lagrangian interpolation ELM(Li ELM) is put forward in which the N-order Lagrangian interpolation is used at first,then the lower order Lagrangian interpolation is applied in the points where the interpolation results are abnormally higher or lower.The calculation results of a step-shaped salinity advection model are analyzed,which show that higher order(N=3?8) Li ELM can reduce the mean numerical error of salinity calculation,but the numerical oscillation error is still significant.Even number order Li ELM makes larger numerical oscillation error than its adjacent odd number order Li ELM.Hybrid N-order Li ELM can remove numerical oscillation,and it significantly reduces the mean numerical error when N is even and the current is in fixed direction,while it makes less effect on mean numerical error when N is odd or the current direction changes periodically.Hybrid odd number order Li ELM makes less mean numerical error than its adjacent even number order Li ELM when the current is in the fixed direction,while the mean numerical error decreases as N increases when the current direction changes periodically,so odd number of N may be better for application.Among various types of Hybrid N-order Li ELM,the scheme reducing N-order directly to 1st-order may be the optimal for synthetic selection of accuracy and computational efficiency. 展开更多
关键词 Eulerian?Lagrangian method Hybrid N-order Lagrangian interpolation numerical oscillation salinity calculation
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Seismic ray-tracing calculation based on parabolic travel-time interpolation 被引量:2
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作者 周竹生 张赛民 陈灵君 《Journal of Central South University of Technology》 2004年第2期199-205,共7页
A new seismic ray-tracing method is put forward based on parabolic travel-time interpolation(PTI) method, which is more accurate than the linear travel-time interpolation (LTI) method. Both PTI method and LTI method a... A new seismic ray-tracing method is put forward based on parabolic travel-time interpolation(PTI) method, which is more accurate than the linear travel-time interpolation (LTI) method. Both PTI method and LTI method are used to compute seismic travel-time and ray-path in a 2-D grid cell model. Firstly, some basic concepts are introduced. The calculations of travel-time and ray-path are carried out only at cell boundaries. So, the ray-path is always straight in the same cells with uniform velocity. Two steps are applied in PTI and LTI method, step 1 computes travel-time and step 2 traces ray-path. Then, the derivation of LTI formulas is described. Because of the presence of refraction wave in shot cell, the formula aiming at shot cell is also derived. Finally, PTI method is presented. The calculation of PTI method is more complex than that of LTI method, but the error is limited. The results of numerical model show that PTI method can trace ray-path more accurately and efficiently than LTI method does. 展开更多
关键词 RAY-TRACING parabolic travel-time interpolation method linear travel-time interpolation method (travel-time ) ray-path grid cell
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Calculation of Space NURBS Curve Interpolation Error 被引量:1
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作者 Liangji Chen Fei Gao +1 位作者 Bo Zhao Longfei Ma 《Journal of Computer and Communications》 2020年第6期1-9,共9页
Aiming at the problem of low accuracy of interpolation error calculation of existing NURBS curves, an approximate method for the distance between a point and a NURBS interpolation curve is proposed while satisfying th... Aiming at the problem of low accuracy of interpolation error calculation of existing NURBS curves, an approximate method for the distance between a point and a NURBS interpolation curve is proposed while satisfying the accuracy of the solution. Firstly, the minimum parameter interval of the node vector corresponding to the data point under test in the original data point sequence is determined, and the parameter interval is subdivided according to the corresponding step size, and the corresponding parameter value is obtained. Secondly, the distance from the measured point to the NURBS curve is calculated, and the nearest distance is found out. The node interval is subdivided again on one side of the nearest distance. Finally, the distance between the data point to be measured and each subdivision point is calculated again, and the minimum distance is taken as the interpolation error between the point and the NURBS curve. The simulation results of actual tool position data show that this method can more accurately obtain the error of spatial NURBS interpolation curve. 展开更多
关键词 Computer-Aided Design NURBS interpolation Curve interpolation Error Approximation Solution
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Research and Application Progress of Intraocular Lens Power Calculation Formulas in the Era of Refractive Cataract Surgery
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作者 Bowei Liang Jinhua Wang +1 位作者 Yao Chen Pan Liu 《Journal of Biosciences and Medicines》 2025年第2期348-356,共9页
As cataract surgery progresses from “restoration of sight” to “refractive correction”, precise prediction of intraocular lens (IOL) power is critical for enhancing postoperative visual quality in patients. IOL pow... As cataract surgery progresses from “restoration of sight” to “refractive correction”, precise prediction of intraocular lens (IOL) power is critical for enhancing postoperative visual quality in patients. IOL power calculation methods have evolved and innovated throughout time, from early theoretical and regression formulas to nonlinear formulas for estimating effective lens position (ELP), multivariable formulas, and innovative formulas that use optical principles and AI-based online formulas. This paper thoroughly discusses the development and iteration of traditional IOL calculation formulas, the emergence of new IOL calculation formulas, and the selection of IOL calculation formulas for different patients in the era of refractive cataract surgery, serving as a reference for “personalized” IOL implantation in clinical practice. 展开更多
关键词 Cataract Surgery Intraocular Lens Power calculation Formula Refractive Cataract Lens Power calculation
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Design and research on seismic intensity monitoring system for railway based on Kriging interpolation method
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作者 Xueying Zhou Xin Bai +4 位作者 Wentao Sun Zehui Zhang Youbiao Wang Cheng Wang Yan Xuan 《Railway Sciences》 2025年第6期729-745,共17页
Purpose–This research aims to monitor seismic intensity along railway lines,study methods for calculating the extent of earthquake impact on railways and address practical challenges in estimating intensity distribut... Purpose–This research aims to monitor seismic intensity along railway lines,study methods for calculating the extent of earthquake impact on railways and address practical challenges in estimating intensity distribution along railway routes,thereby achieving graded post-earthquake response measures.Design/methodology/approach–The seismic intensity monitoring system for railways adopts a two-level architecture,namely the seismic intensity monitoring equipment and the seismic intensity rapid reporting information center processing platform.The platform obtains measured instrumental intensity through the seismic intensity monitoring equipment deployed along railways and combines it with the National Seismic Network Earthquake Catalog to generate real-time railway seismic intensity distribution maps using the Kriging interpolation algorithm.A calculation method for railway seismic impact intervals is designed to calculate the mileage intervals where the intensity area corresponding to each contour line in the seismic intensity distribution map intersects with the railway line.Findings–The system was deployed for practical earthquake monitoring demonstration applications on the Nanjiang Railway Line in Xinjiang.During the operational period,the seismic intensity monitoring equipment calculated and uploaded instrumental intensity values to the seismic intensity rapid reporting information center processing platform a total of nine times.Among these,earthquakes triggering the Kriging interpolation algorithm occurred twice.The system operated stably throughout the application period and successfully visualized relevant seismic impact data,such as earthquake intensity distribution maps and affected railway mileage sections.These results validate the system’s practicality and effectiveness.Originality/value–The seismic intensity monitoring for the railway system designed in this study can integrate the measured instrumental intensity data along railways and the earthquake catalog of the National Seismic Network.It uses the Kriging interpolation method to calculate the intensity distribution and determine the seismic impact scope,thereby addressing the issue that the seismic intensity distribution calculated by traditional attenuation formulas deviates from reality.The system can provide clear graded interval recommendations for post-earthquake disposal,effectively improve the efficiency of post-earthquake recovery and inspection and offer a decision-making basis for restoring railway operations quickly. 展开更多
关键词 Seismic intensity monitoring RAILWAY Kriging interpolation Impact scope
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First-principles Calculations of the Mechanical,Electronic,and Thermodynamic Properties of Cubic Aluminumcopper Intermetallic Compounds under Pressure
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作者 LUO Guoqiang ZHENG Aojun +3 位作者 GUO Chengcheng ZHOU Yiheng ZHANG Ruizhi ZHANG Jian 《Journal of Wuhan University of Technology(Materials Science)》 2025年第4期1126-1139,共14页
The effects of pressure on the structural stability,elasticity,electronic properties,and thermodynamic properties of Al,Al_(3)Cu,Al_(2)Cu,Al_(4)Cu_(9),AlCu_(3),and Cu were investigated using first-principles calculati... The effects of pressure on the structural stability,elasticity,electronic properties,and thermodynamic properties of Al,Al_(3)Cu,Al_(2)Cu,Al_(4)Cu_(9),AlCu_(3),and Cu were investigated using first-principles calculations.The experimental results indicate that the calculated equilibrium lattice constant,elastic constant,and elastic modulus agree with both theoretical and experimental data at 0 GPa.The Young's modulus,bulk modulus,and shear modulus increase with increasing pressure.The influence of pressure on mechanical properties is explained from a chemical bond perspective.By employing the quasi-harmonic approximation model of phonon calculation,the temperature and pressure dependence of thermodynamic parameters in the range of 0 to 800 K and 0 to 100 GPa are determined.The findings demonstrate that the thermal capacity and coefficient of thermal expansion increase with increasing temperature and decrease with increasing pressure.This study provides fundamental data and support for experimental investigations and further theoretical research on the properties of aluminum-copper intermetallic compounds. 展开更多
关键词 INTERMETALLICS ELASTICITY thermodynamic properties ab-initio calculations
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Interpolation-Based Reversible Data Hiding in Encrypted Audio with Scalable Embedding Capacity
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作者 Yuan-Yu Tsai Alfrindo Lin +1 位作者 Wen-Ting Jao Yi-Hui Chen 《Computers, Materials & Continua》 2025年第7期681-697,共17页
With the rapid expansion of multimedia data,protecting digital information has become increasingly critical.Reversible data hiding offers an effective solution by allowing sensitive information to be embedded in multi... With the rapid expansion of multimedia data,protecting digital information has become increasingly critical.Reversible data hiding offers an effective solution by allowing sensitive information to be embedded in multimedia files while enabling full recovery of the original data after extraction.Audio,as a vital medium in communication,entertainment,and information sharing,demands the same level of security as images.However,embedding data in encrypted audio poses unique challenges due to the trade-offs between security,data integrity,and embedding capacity.This paper presents a novel interpolation-based reversible data hiding algorithm for encrypted audio that achieves scalable embedding capacity.By increasing sample density through interpolation,embedding opportunities are significantly enhanced while maintaining encryption throughout the process.The method further integrates multiple most significant bit(multi-MSB)prediction and Huffman coding to optimize compression and embedding efficiency.Experimental results on standard audio datasets demonstrate the proposed algorithm’s ability to embed up to 12.47 bits per sample with over 9.26 bits per sample available for pure embedding capacity,while preserving full reversibility.These results confirm the method’s suitability for secure applications that demand high embedding capacity and perfect reconstruction of original audio.This work advances reversible data hiding in encrypted audio by offering a secure,efficient,and fully reversible data hiding framework. 展开更多
关键词 Reversible data hiding encrypted audio interpolation sampling multi-MSB prediction Huffman coding
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Wetting and interfacial behavior of high entropy alloy filler on rare earth silicate system:Phase analysis and first-principles calculations
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作者 Shuai Zhao Buqiu Shao +6 位作者 Haiyan Chen Yuqi Hu Zhaoyi Pan Yongsheng Liu Pengcheng Wang Xiaoguo Song Wenya Li 《Journal of Materials Science & Technology》 2025年第30期223-238,共16页
The vacuum reactive wetting and brazing of Er_(2)Si_(2)O_(7)/MoSi_(2) coatings were investigated using a (CoFeNiCrMn)_(88)Nb_(12) high-entropy alloy (HEA) brazing filler. The microstructural evolution and wettability ... The vacuum reactive wetting and brazing of Er_(2)Si_(2)O_(7)/MoSi_(2) coatings were investigated using a (CoFeNiCrMn)_(88)Nb_(12) high-entropy alloy (HEA) brazing filler. The microstructural evolution and wettability of the HEA filler were analyzed, with particular attention to the surface energy, interfacial stability, and electronic properties of the HEA filler/rare earth silicate coating system, as determined by density functional theory (DFT). As Nb diffused into the interface and the ErNbO_(4) phase formed, the wetting angle gradually decreased to 23.12° The effective wetting and spreading of the HEA brazing filler on the rare earth silicate coating surface are strongly correlated with the formation of the ErNbO_(4) phase at the interface. Furthermore, DFT calculations reveal that the interfacial bonding energy between the BCC' and FCC' phases and the ErNbO_(4) phase, after the wetting reaction, is significantly higher than the bonding energy between the initial filler and Er_(2)Si_(2)O_(7). This finding suggests that the formation of the ErNbO_(4) phase improves the wetting and spreading behavior of the filler. 展开更多
关键词 High entropy alloy WETTABILITY Microstructures First-principles calculations Interfaces
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Self-supervised simultaneous deblending and interpolation of incomplete blended data using a multistep blind-trace U-Net
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作者 Ben-Feng Wang Shi-Cong Lin Xin-Yi Chen 《Petroleum Science》 2025年第3期1098-1109,共12页
Blended acquisition offers efficiency improvements over conventional seismic data acquisition, at the cost of introducing blending noise effects. Besides, seismic data often suffers from irregularly missing shots caus... Blended acquisition offers efficiency improvements over conventional seismic data acquisition, at the cost of introducing blending noise effects. Besides, seismic data often suffers from irregularly missing shots caused by artificial or natural effects during blended acquisition. Therefore, blending noise attenuation and missing shots reconstruction are essential for providing high-quality seismic data for further seismic processing and interpretation. The iterative shrinkage thresholding algorithm can help obtain deblended data based on sparsity assumptions of complete unblended data, and it characterizes seismic data linearly. Supervised learning algorithms can effectively capture the nonlinear relationship between incomplete pseudo-deblended data and complete unblended data. However, the dependence on complete unblended labels limits their practicality in field applications. Consequently, a self-supervised algorithm is presented for simultaneous deblending and interpolation of incomplete blended data, which minimizes the difference between simulated and observed incomplete pseudo-deblended data. The used blind-trace U-Net (BTU-Net) prevents identity mapping during complete unblended data estimation. Furthermore, a multistep process with blending noise simulation-subtraction and missing traces reconstruction-insertion is used in each step to improve the deblending and interpolation performance. Experiments with synthetic and field incomplete blended data demonstrate the effectiveness of the multistep self-supervised BTU-Net algorithm. 展开更多
关键词 Blind-trace U-Net Self-supervised learning Simultaneous deblending and interpolation Multi-step processing
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General Improvement of Image Interpolation-Based Data Hiding Methods Using Multiple-Based Number Conversion
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作者 Da-Chun Wu Bing-Han 《Computer Modeling in Engineering & Sciences》 2025年第7期535-580,共46页
Data hiding methods involve embedding secret messages into cover objects to enable covert communication in a way that is difficult to detect.In data hiding methods based on image interpolation,the image size is reduce... Data hiding methods involve embedding secret messages into cover objects to enable covert communication in a way that is difficult to detect.In data hiding methods based on image interpolation,the image size is reduced and then enlarged through interpolation,followed by the embedding of secret data into the newly generated pixels.A general improving approach for embedding secret messages is proposed.The approach may be regarded a general model for enhancing the data embedding capacity of various existing image interpolation-based data hiding methods.This enhancement is achieved by expanding the range of pixel values available for embedding secret messages,removing the limitations of many existing methods,where the range is restricted to powers of two to facilitate the direct embedding of bit-based messages.This improvement is accomplished through the application of multiple-based number conversion to the secret message data.The method converts the message bits into a multiple-based number and uses an algorithm to embed each digit of this number into an individual pixel,thereby enhancing the message embedding efficiency,as proved by a theorem derived in this study.The proposed improvement method has been tested through experiments on three well-known image interpolation-based data hiding methods.The results show that the proposed method can enhance the three data embedding rates by approximately 14%,13%,and 10%,respectively,create stego-images with good quality,and resist RS steganalysis attacks.These experimental results indicate that the use of the multiple-based number conversion technique to improve the three interpolation-based methods for embedding secret messages increases the number of message bits embedded in the images.For many image interpolation-based data hiding methods,which use power-of-two pixel-value ranges for message embedding,other than the three tested ones,the proposed improvement method is also expected to be effective for enhancing their data embedding capabilities. 展开更多
关键词 Data hiding image interpolation interpolation-based hiding methods steganography multiple-based number conversion
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First-principles calculations on strain tunable hyperfine Stark shift of shallow donors in Si
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作者 Zi-Kai Zhou Jun Kang 《Chinese Physics B》 2025年第8期413-417,共5页
Control of hyperfine interaction strength of shallow donors in Si is one of the central issues in realizing Kane quantum computers.First-principles calculations on the hyperfine Stark shift of shallow donors are chall... Control of hyperfine interaction strength of shallow donors in Si is one of the central issues in realizing Kane quantum computers.First-principles calculations on the hyperfine Stark shift of shallow donors are challenging since large supercells are needed to accommodate the delocalized donor wave functions.In this work,we investigated the hyperfine Stark shift and its strain tunability for shallow donors P and As in Si using the potential patching method based on first-principles density functional theory calculations.The good agreement between our calculations and experimental results confirms that the potential patching method is a feasible and accurate first-principles approach for studying wave-function-related properties of shallow impurities,such as the Stark shift parameter.It is further shown that the application of strain expands the range of hyperfine Stark shift and helps improve the response of shallow donor based qubit gates.The results could be useful for developing quantum computing architectures based on shallow donors in Si. 展开更多
关键词 shallow donors first-principles calculations hyperfine interaction
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Theoretical Study and Slip Effect Analysis of Elastic Calculation Methods for Steel-Concrete Composite Beams
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作者 Shaohui Chu Xiangkai Zeng Zhixin Guo 《Journal of World Architecture》 2025年第5期67-74,共8页
Steel-concrete composite beams,due to their superior mechanical properties,are widely utilized in engineering structures.This study systematically investigates the calculation methods for internal forces and load-bear... Steel-concrete composite beams,due to their superior mechanical properties,are widely utilized in engineering structures.This study systematically investigates the calculation methods for internal forces and load-bearing capacity of composite beams based on elastic theory,with a focus on the transformed section method and its application under varying neutral axis positions.By deriving the geometric characteristics of the transformed section and incorporating a reduction factor accounting for slip effects,a computational model for sectional stress and ultimate load-bearing capacity is established.The results demonstrate that the slip effect significantly influences the flexural load-bearing capacity of composite beams.The proposed reduction factor,which considers the influence of the steel beam’s top flange thickness,offers higher accuracy compared to traditional methods.These findings provide a theoretical foundation for the design and analysis of composite beams,with significant practical engineering value. 展开更多
关键词 Composite beam Elastic calculation Slip effect Theoretical study
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Soil remediation potential of illite and Na-MMT for As and H_(3)AsO_(3) adsorption:Insights of ab initio calculations
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作者 LIU Zi-rou XU Xin-hang +2 位作者 ARMAGHANI Danial Jahed SPAGNOLI Dino QI Chong-chong 《Journal of Central South University》 2025年第5期1822-1837,共16页
Understanding the adsorption behavior of heavy metals and metalloids on clay minerals is essential for remediating heavy metal-contaminated soils.The adsorption of heavy metals and metalloids on illite(001)and sodium ... Understanding the adsorption behavior of heavy metals and metalloids on clay minerals is essential for remediating heavy metal-contaminated soils.The adsorption of heavy metals and metalloids on illite(001)and sodium montmorillonite(Na-MMT)(001)surfaces was investigated using first-principles calculations in this study,especially As atom and H_(3)AsO_(3) molecule.The adsorption energies of the As atom were−1.94 eV on the illite(001)and−0.56 eV on the Na-MMT(001),whereas,the adsorption energies of the H_(3)AsO_(3) molecule were−1.40 eV on illite(001)and−1.01 eV on Na-MMT(001).The above results indicate that the adsorption was more energetically favorable on illite(001).Additionally,compared to Na-MMT(001),there were more significant interactions between the atoms/molecules on the illite(001).After As atom and H_(3)AsO_(3) molecule adsorption,the electrons were transferred from mineral surface atoms to the adsorbates on both illite(001)and Na-MMT(001)surfaces.Moreover,the adsorption of As atom on illite(001)and Na-MMT(001)surfaces were more energy favorable compared to Hg,Cd,and Cr atoms.Overall,this work provides new insights into the adsorption behavior of As atoms and As molecules on illite and Na-MMT.The results indicate that illite rich soils are more prone to contamination by arsenic compared to soils primarily composed of Na-MMT minerals. 展开更多
关键词 soil contamination clay minerals ADSORPTION ab initio calculation ARSENIC
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Hazard Analysis of Dam Corridor Cracks Based on Field Detection and Numerical Calculation
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作者 Jiacheng Li Liangkun Gong +3 位作者 Yuxiang Li Jialiang Qian Weiyu Wu Weiran Lu 《Journal of World Architecture》 2025年第1期32-39,共8页
The longitudinal cracks distributed along the dam axis in the corridor of a dam may have potential safety hazards.According to the detection results of crack depth and width and the analysis of monitoring data,a three... The longitudinal cracks distributed along the dam axis in the corridor of a dam may have potential safety hazards.According to the detection results of crack depth and width and the analysis of monitoring data,a three-dimensional finite element model is established for numerical simulation calculation and the influence of cracks on the safety of dam structure is analyzed from different aspects such as deformation,stress value,and distribution range.The calculation results show that the maximum principal tensile stress value and the location of the dam body are basically independent of the change of crack depth(within 1.0 m).Regarding local stress around the corridor,the high upstream water level causes cracks to deepen,resulting in an increase in the maximum tensile stress near the crack tip and an expansion of the tensile stress region. 展开更多
关键词 Gallery cracks Field test Finite element calculation Hazard analysis
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Effect of pharmacological pupil changes on intraocular lens power calculation:a systematic review and Metaanalysis
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作者 Si-Yi Tan Dian-Feng Liu +1 位作者 Wei-Qi Wang Bing-Song Wang 《International Journal of Ophthalmology(English edition)》 2025年第3期518-525,共8页
AIM:To investigate the effect of pharmacological pupil alterations on intraocular lens(IOL)power calculations.METHODS:A systematic review and Meta-analysis of studies published before December 2023 in the PubMed,Embas... AIM:To investigate the effect of pharmacological pupil alterations on intraocular lens(IOL)power calculations.METHODS:A systematic review and Meta-analysis of studies published before December 2023 in the PubMed,Embase,and Cochrane library databases on the accuracy of pharmacological pupil changes on IOL power calculation was performed.The primary outcome was the results of IOL power calculations before and after the use of medications.Subgroup analyses were performed based on participants’basic characteristics,such as age,axial length(AL),and whether miosis or mydriasis were used as classification criteria for further analyses.Each eligible study was evaluated for potential risk of bias by the AHRQ assessment scale.The study was registered on PROSPERO(CRD 42024497535).RESULTS:A total of 3062 eyes from 21 studies were eligible.There was no significant difference in the IOL power calculation before and after pharmacological pupil changes using any of the Hoffer Q(WMD=0.055,95%CI=-0.046–0.156;P=0.29),SRK/T(WMD=0.003,95%CI=-0.073–0.080;P=0.93),Haigis(WMD=-0.030,95%CI=-0.176–0.116;P=0.69),Holladay 2(WMD=-0.042,95%CI=-0.366–0.282;P=0.80),and Barrett Universal Ⅱ(WMD=0.033,95%CI=-0.061–0.127;P=0.49)formulas.On the measurement of parameters related to IOL power calculation,for either miosis or mydriasis AL(P=0.98 and 0.29,respectively),lens thickness(P=0.96 and 0.13,respectively),and mean keratometry(P=0.90 and 0.86,respectively)did not present significant differences,while anterior chamber depth(P=0.07 and<0.01,respectively)and white-to-white distance(P=0.01 and 0.04,respectively)changed significantly between the two measurements prior and posterior.At the same time,despite there being some participants with the difference between the before and after calculations greater than 0.5 diopter,there was no significant difference in the incidence rate between these formulas.CONCLUSION:There is no significant effect of pharmacological pupil changes on the IOL power calculation.It will considerably reduce the visit time burden for patients who require cataract surgery. 展开更多
关键词 ocular biometry intraocular lens power calculation CATARACT pharmacological pupil alterations
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Mechanism analysis of pitting induced by Al_(2)O_(3) inclusions: insight from simulation calculation
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作者 Ting Wang Bi-jun Hua +5 位作者 Xiang-jun Liu Pei-hong Yang Xiao-xia Shi Ji-chun Yang Li Zhou Chang-qiao Yang 《Journal of Iron and Steel Research International》 2025年第4期1061-1072,共12页
The micro-area characterization experiments like scanning Kelvin probe force microscope(SKPFM)and Kernel average misorientation have the defects of complex sample preparation and occasional errors in test results,whic... The micro-area characterization experiments like scanning Kelvin probe force microscope(SKPFM)and Kernel average misorientation have the defects of complex sample preparation and occasional errors in test results,which makes it impossible to accurately and quickly analyze the pitting behavior induced by inclusions in some cases,prompting attempts to turn to simulation calculation research.The method of calculating band structure and work function can be used to replace current-sensing atomic force microscopy and SKPFM to detect the potential and conductivity of the sample.The band structure results show that Al_(2)O_(3) inclusion is an insulator and non-conductive,and it will not form galvanic corrosion with the matrix.Al_(2)O_(3) inclusion does not dissolve because its work function is higher than that of the matrix.Moreover,the stress concentration of the matrix around the inclusion can be characterized by first-principles calculation coupled with finite element simulation.The results show that the stress concentration degree of the matrix around Al_(2)O_(3) inclusion is serious,and the galvanic corrosion is formed between the high and the low stress concentration areas,which can be used to explain the reason of the pitting induced by Al_(2)O_(3) inclusions. 展开更多
关键词 PITTING Inclusion phase identification First-principles calculation Phonopy Finite element analysis
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Microstructure and mechanical properties of 6061 aluminum alloy/galvanized steel laser-arc hybrid fusion-brazed welded joint: experiment and first-principles calculation
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作者 Hanxuan Zhang Yuchen Dong +2 位作者 Nan Li Jie Cui Liming Liu 《China Welding》 2025年第3期192-206,共15页
In this study,6061 aluminum alloy and galvanized steel fusion-brazed lap joints were obtained using a laser-arc hybrid heat source,and the effects of laser power variation on the microstructure,mechanical properties,a... In this study,6061 aluminum alloy and galvanized steel fusion-brazed lap joints were obtained using a laser-arc hybrid heat source,and the effects of laser power variation on the microstructure,mechanical properties,and fracture mechanism of the joints were ana-lyzed.The results showed that the tensile shear load initially increased with rising laser power,followed by a decrease.At a laser power of 240 W,the maximum tensile shear load was 2479.8 N/cm and the weak section of joint was in the Al-Fe reaction layer con-sisting of Fe(Al,Si)_(3),Fe_(2)(Al,Si)_(5),and Fe(Al,Si)intermetallic compounds(IMCs).Computational results showed that the inherently high brittleness and hardness of Fe(Al,Si)_(3) and the high mismatch rates of Fe(Al,Si)_(3)/Al interfaces were the key factor leading to the failure of the joints at lower heat input. 展开更多
关键词 Aluminum alloy Galvanized steel Intermetallic compounds Fracture mechanism First-principles calculation
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Designing strategy for developing excellent elastocaloric material of Ni-Mn-Ti alloys with doping from first-principles calculations
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作者 Lei Zhao Changlong Tan +6 位作者 Jianyong Wang Jie Yang Xiaochuan Wang Wenbin Zhao Jian Li Zhaohui Luan Xiaohua Tian 《Journal of Materials Science & Technology》 2025年第25期317-326,共10页
Ni-Mn-Ti Heusler alloys have great potential for elastocaloric refrigeration due to the colossal caloric effect and good mechanical properties. However, theoretical calculations on the characterization of the elastoca... Ni-Mn-Ti Heusler alloys have great potential for elastocaloric refrigeration due to the colossal caloric effect and good mechanical properties. However, theoretical calculations on the characterization of the elastocaloric effect are rare. An important parameter to evaluate the elastocaloric effect is the transformation entropy change, whose main source is the vibrational entropy change (ΔS_(vib)). Unfortunately, the widely used quasiharmonic approximation method fails in the prediction of the vibrational entropy for high-temperature austenite due to its dynamical instability at 0 K. To solve this problem, the temperature dependent effective potential method was used considering the temperature and anharmonic effect. Sc, V, and Zr doping at the Ti sites in B2 disordered Ni_(8)Mn_(5)Ti_(3) were studied about phase stability, martensitic transformation, and elastocaloric properties. The results revealed the austenitic structures of all the doping systems exhibit antiferromagnetic coupling characteristics at 300 K due to the temperature effect. Sc and Zr doping at the Ti sites decreased the ΔS_(vib) value, whereas V doping at the Ti site increased the ΔS_(vib) value. Further analysis proved the important evaluation criterion that the ΔS_(vib) value increases with the tetragonal distortion ratio and volume change, which has important guiding significance for improving the elastocaloric effect. Besides, the calculations of elastic constants presented all the doping systems maintain outstanding ductility evaluated from the B/G ratio. This work provides an effective strategy for designing excellent elastocaloric material with large vibrational entropy change and good mechanical properties. 展开更多
关键词 Ni-Mn-Ti Element doping First-principles calculations Temperature dependent effective potential Elastocaloric properties
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Study of shell evolution in neutron-rich boron,carbon,and nitrogen isotopes with in-medium similarity renormalization group calculations
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作者 Liu-Yuan Shen Qi Yuan +3 位作者 Hong-Hui Li Meng-Ran Xie Jian-Guo Li Wei Zuo 《Nuclear Science and Techniques》 2025年第11期315-325,共11页
Neutron-rich boron,carbon,and nitrogen isotopes have garnered extensive experimental and theoretical interest.In the present work,we conducted a comprehensive study of these nuclei by utilizing ab initio valence-space... Neutron-rich boron,carbon,and nitrogen isotopes have garnered extensive experimental and theoretical interest.In the present work,we conducted a comprehensive study of these nuclei by utilizing ab initio valence-space in-medium similarity renormalization group calculations with chiral nucleon-nucleon and three-nucleon interactions.First,we systematically calculated the spectra of nuclei.Our results align well with the available experimental data,which are comparable to phenomenological shell model calculations.Subsequently,the evolution of the N=14 and N=16 shell gaps is discussed based on the calculated spectra and the effective single-particle energies.Our calculations suggest that the N=14 neutron subshell is present in the oxygen isotopes but disappears in the boron,carbon,and nitrogen isotopic chains.Moreover,the N=16 subshell is present in all isotopes but gradually decreases from^(24)O to^(21)B.These results provide valuable information for future studies. 展开更多
关键词 Ab initio calculations Chiral nuclear forces Shell evolution Low-lying spectra
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