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GAN与Diffusion在传统纹样设计中的实验研究
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作者 李莉 毛子晗 +2 位作者 吕思奇 袁晨旭 彭玉旭 《丝绸》 CAS CSCD 北大核心 2024年第8期9-22,共14页
传统纹样是中国优秀传统文化的重要组成部分,传统人工设计已经无法满足纹样的现代设计需求,生成式AI为传统纹样设计提供了新的设计路径和方法。文章将生成式AI应用于传统纹样设计中,通过适配实验优选基于GAN的Style GAN和基于Diffusion... 传统纹样是中国优秀传统文化的重要组成部分,传统人工设计已经无法满足纹样的现代设计需求,生成式AI为传统纹样设计提供了新的设计路径和方法。文章将生成式AI应用于传统纹样设计中,通过适配实验优选基于GAN的Style GAN和基于Diffusion的Stable Diffusion两种主流图像生成模型进行实验,采用技术分析与艺术分析相结合,对实验结果进行多角度、多维度对比分析,为设计师选择生成设计方法提供参照。实验结果表明,两个模型均能满足基本的艺术设计需求。Style GAN模型生成的纹样图像更接近真实图像的分布,具有更高的图像质量和多样性;Stable Diffusion模型能较好地传承传统纹样的基因,艺术性与创造性兼具,更加符合传统纹样的艺术设计需求。 展开更多
关键词 GAN diffusion 传统纹样 评价指标 对比分析 实验研究
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基于Stable Diffusion的虚拟人形象预设计的应用与研究 被引量:2
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作者 曾建勇 沈晓萍 《现代信息科技》 2024年第3期169-175,共7页
对当前AIGC在虚拟形象预设计方面的现状及影响进行了分析和探讨。以Stable Diffusion为例,详细介绍了工程构建和实现,对相关模块的作用、运行环境、使用方法及其指令等多个方面进行了综合叙述、分析和探讨,针对使用不同采样方法、不同... 对当前AIGC在虚拟形象预设计方面的现状及影响进行了分析和探讨。以Stable Diffusion为例,详细介绍了工程构建和实现,对相关模块的作用、运行环境、使用方法及其指令等多个方面进行了综合叙述、分析和探讨,针对使用不同采样方法、不同采样参数及不同训练模型生成图片效果的优劣进行了说明及展示。随后,通过项目实例,完整地展示了人物形象预设计的过程。最后,对AIGC等新技术可能带来的社会影响进行了预测和总结。 展开更多
关键词 AI生成内容 Stable diffusion 生成对抗网络 提示词 虚拟人形象
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Value of multiple models of diffusion-weighted imaging to predict hepatic lymph node metastases in colorectal liver metastases patients 被引量:1
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作者 Hai-Bin Zhu Bo Zhao +3 位作者 Xiao-Ting Li Xiao-Yan Zhang Qian Yao Ying-Shi Sun 《World Journal of Gastroenterology》 SCIE CAS 2024年第4期308-317,共10页
BACKGROUND About 10%-31% of colorectal liver metastases(CRLM)patients would concomitantly show hepatic lymph node metastases(LNM),which was considered as sign of poor biological behavior and a relative contraindicatio... BACKGROUND About 10%-31% of colorectal liver metastases(CRLM)patients would concomitantly show hepatic lymph node metastases(LNM),which was considered as sign of poor biological behavior and a relative contraindication for liver resection.Up to now,there’s still lack of reliable preoperative methods to assess the status of hepatic lymph nodes in patients with CRLM,except for pathology examination of lymph node after resection.AIM To compare the ability of mono-exponential,bi-exponential,and stretchedexponential diffusion-weighted imaging(DWI)models in distinguishing between benign and malignant hepatic lymph nodes in patients with CRLM who received neoadjuvant chemotherapy prior to surgery.METHODS In this retrospective study,97 CRLM patients with pathologically confirmed hepatic lymph node status underwent magnetic resonance imaging,including DWI with ten b values before and after chemotherapy.Various parameters,such as the apparent diffusion coefficient from the mono-exponential model,and the true diffusion coefficient,the pseudo-diffusion coefficient,and the perfusion fraction derived from the intravoxel incoherent motion model,along with distributed diffusion coefficient(DDC)andαfrom the stretched-exponential model(SEM),were measured.The parameters before and after chemotherapy were compared between positive and negative hepatic lymph node groups.A nomogram was constructed to predict the hepatic lymph node status.The reliability and agreement of the measurements were assessed using the coefficient of variation and intraclass correlation coefficient.RESULTS Multivariate analysis revealed that the pre-treatment DDC value and the short diameter of the largest lymph node after treatment were independent predictors of metastatic hepatic lymph nodes.A nomogram combining these two factors demonstrated excellent performance in distinguishing between benign and malignant lymph nodes in CRLM patients,with an area under the curve of 0.873.Furthermore,parameters from SEM showed substantial repeatability.CONCLUSION The developed nomogram,incorporating the pre-treatment DDC and the short axis of the largest lymph node,can be used to predict the presence of hepatic LNM in CRLM patients undergoing chemotherapy before surgery.This nomogram was proven to be more valuable,exhibiting superior diagnostic performance compared to quantitative parameters derived from multiple b values of DWI.The nomogram can serve as a preoperative assessment tool for determining the status of hepatic lymph nodes and aiding in the decision-making process for surgical treatment in CRLM patients. 展开更多
关键词 Colorectal cancer Individualized treatment diffusion magnetic resonance imaging Intravoxel incoherent motion LIVER
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Quantum Tunneling Enhanced Hydrogen Desorption from Graphene Surface: Atomic versus Molecular Mechanism
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作者 Yangwu Tong Yong Yang 《Chinese Physics Letters》 SCIE EI CAS CSCD 2024年第8期58-68,共11页
We study the desorption mechanism of hydrogen isotopes from graphene surface using first-principles calculations,with focus on the effects of quantum tunneling.At low temperatures,quantum tunneling plays a dominant ro... We study the desorption mechanism of hydrogen isotopes from graphene surface using first-principles calculations,with focus on the effects of quantum tunneling.At low temperatures,quantum tunneling plays a dominant role in the desorption process of both hydrogen monomers and dimers.In the case of dimer desorption,two types of mechanisms,namely the traditional one-step desorption in the form of molecules(molecular mechanism),and the two-step desorption in the form of individual atoms(atomic mechanism),are studied and compared.For the ortho-dimers,the dominant desorption mechanism is found to switch from the molecular mechanism to the atomic mechanism above a critical temperature,which is∼300K and 200K for H and D,respectively. 展开更多
关键词 desorption QUANTUM mechanism
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Efficient desorption and reuse of collector from the flotation concentrate:A case study of scheelite
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作者 Liming Tao Jianjun Wang +6 位作者 Dejin Liao Wenkai Jia Zihan Zhao Wenfang Che Zhongxu Qi Wei Sun Zhiyong Gao 《International Journal of Minerals,Metallurgy and Materials》 SCIE EI CAS CSCD 2024年第11期2435-2444,共10页
Flotation is the most common method to obtain concentrate through the selective adsorption of collectors on target minerals to make them hydrophobic and floatable.In the hydrometallurgy of concentrate,collectors adsor... Flotation is the most common method to obtain concentrate through the selective adsorption of collectors on target minerals to make them hydrophobic and floatable.In the hydrometallurgy of concentrate,collectors adsorbed on concentrate can damage ion-exchange resin and increase the chemical oxygen demand(COD)value of wastewater.In this work,we proposed a new scheme,i.e.,desorbing the collectors from concentrate in ore dressing plant and reusing them in flotation flowsheet.Lead nitrate and benzohydroxamic acid(Pb-BHA)complex is a common collector in scheelite flotation.In this study,different physical(stirring or ultrasonic waves)and chemical(strong acid or alkali environment)methods for facilitating the desorption of Pb-BHA collector from scheelite concentrate were explored.Single-mineral desorption tests showed that under the condition of pulp pH 13 and ultrasonic treatment for 15 min,the highest desorption rates of Pb and BHA from the scheelite concentrate were 90.48%and 63.75%,respectively.Run-of-mine ore flotation tests revealed that the reuse of desorbed Pb and BHA reduced the collector dosage by 30%for BHA and 25%for Pb.The strong alkali environment broke the chemical bonds between Pb and BHA.The cavitation effect of ultrasonic waves effectively reduced the interaction intensity between Pb-BHA collector and scheelite surfaces.This method combining ultrasonic waves and strong alkali environment can effectively desorb the collectors from concentrate and provide“clean”scheelite concentrate for metallurgic plants;the reuse of desorbed collector in flotation flowsheet can reduce reagent cost for ore dressing plants. 展开更多
关键词 scheelite concentrate COLLECTOR desorption REUSE FLOTATION
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Ultra-soft Desorption Assisted Mass Spectrometry using Picosecond Infrared Laser for the Detection of lons in the Liquid Surface
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作者 Ziyuan Li Yue Wang +2 位作者 Tiantian Tong Ziwei Chen Shan Xi Tian 《Chinese Journal of Chemical Physics》 SCIE EI CAS CSCD 2024年第4期461-464,I0093,共5页
To identify the species in liquid surface using mass spectrometry,we must eliminate or reduce interferences during the vaporization or desorption of the species from the liquid surface.It is much more challenging to i... To identify the species in liquid surface using mass spectrometry,we must eliminate or reduce interferences during the vaporization or desorption of the species from the liquid surface.It is much more challenging to isolate the ionic,larger species from the liquid surface,because of the frangible structures and the higher solvation energies of those species.Here we demonstrate a new mass spectrometry in which the ionic species at the liquid surface can be desorbed with ultrasoft infrared picosecond laser pulses while the liquid surface is not breached.This laser desorption assisted mass spectrometry is not only a powerful tool to detect the fragile species but also promising to investigate vibrational energy transfer dynamics in the liquid surface. 展开更多
关键词 Ultrasoft desorption Infrared laser Picosecond pulse Mass spectrometry Liquid surface
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Research on the correlation between the dual diffusion behavior of zinc in InGaAs/InP single-photon avalanche photodiodes and device performance
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作者 LIU Mao-Fan YU Chun-Lei +7 位作者 MA Ying-Jie YU Yi-Zhen YANG Bo TIAN Yu BAO Peng-Fei CAO Jia-Sheng LIU Yi LI Xue 《红外与毫米波学报》 SCIE EI CAS CSCD 北大核心 2024年第5期595-602,共8页
The development of InGaAs/InP single-photon avalanche photodiodes(SPADs)necessitates the utiliza-tion of a two-element diffusion technique to achieve accurate manipulation of the multiplication width and the dis-tribu... The development of InGaAs/InP single-photon avalanche photodiodes(SPADs)necessitates the utiliza-tion of a two-element diffusion technique to achieve accurate manipulation of the multiplication width and the dis-tribution of its electric field.Regarding the issue of accurately predicting the depth of diffusion in InGaAs/InP SPAD,simulation analysis and device development were carried out,focusing on the dual diffusion behavior of zinc atoms.A formula of X_(j)=k√t-t_(0)+c to quantitatively predict the diffusion depth is obtained by fitting the simulated twice-diffusion depths based on a two-dimensional(2D)model.The 2D impurity morphologies and the one-dimensional impurity profiles for the dual-diffused region are characterized by using scanning electron micros-copy and secondary ion mass spectrometry as a function of the diffusion depth,respectively.InGaAs/InP SPAD devices with different dual-diffusion conditions are also fabricated,which show breakdown behaviors well consis-tent with the simulated results under the same junction geometries.The dark count rate(DCR)of the device de-creased as the multiplication width increased,as indicated by the results.DCRs of 2×10^(6),1×10^(5),4×10^(4),and 2×10^(4) were achieved at temperatures of 300 K,273 K,263 K,and 253 K,respectively,with a bias voltage of 3 V,when the multiplication width was 1.5µm.These results demonstrate an effective prediction route for accu-rately controlling the dual-diffused zinc junction geometry in InP-based planar device processing. 展开更多
关键词 InGaAs/InP single-photon avalanche photodiode diffusion depth Znic diffusion dark count rate
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Erratum to:Unraveling engineering disturbance effects on deformation in red-bed mudstone railway cuttings:incorporating crack-facilitated moisture diffusion
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作者 HUANG Kang DAI Zhangjun +3 位作者 YAN Chengzeng YAO Junkai CHI Zecheng CHEN Shanxiong 《Journal of Mountain Science》 SCIE CSCD 2024年第8期2870-2870,共1页
Erratum to:J.Mt.Sci.(2024)21(5):1663-1682 https://doi.org/10.1007/s11629-023-8561-0 During the production process,the first author’s name was wrongly written as“Rang Huang”in the metadata.The correct name for the f... Erratum to:J.Mt.Sci.(2024)21(5):1663-1682 https://doi.org/10.1007/s11629-023-8561-0 During the production process,the first author’s name was wrongly written as“Rang Huang”in the metadata.The correct name for the first author is“Kang Huang”.The first author’s name in the fulltext pdf is correct. 展开更多
关键词 MOISTURE MUDSTONE diffusion
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Effects of Different Concentrations of Sulfate Ions on Carbonate Crude Oil Desorption:Experimental Analysis and Molecular Simulation
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作者 Nannan Liu Hengchen Qi +1 位作者 Hui Xu Yanfeng He 《Fluid Dynamics & Materials Processing》 EI 2024年第8期1731-1741,共11页
Low salinity water containing sulfate ions can significantly alter the surface wettability of carbonate rocks.Nevertheless,the impact of sulfate concentration on the desorption of oil film on the surface of carbonate ... Low salinity water containing sulfate ions can significantly alter the surface wettability of carbonate rocks.Nevertheless,the impact of sulfate concentration on the desorption of oil film on the surface of carbonate rock is still unknown.This study examines the variations in the wettability of the surface of carbonate rocks in solutions containing varying amounts of sodium sulfate and pure water.The problem is addressed in the framework of molecular dynamics simulation(Material Studio software)and experiments.The experiment’s findings demonstrate that sodium sulfate can increase the rate at which oil moisture is turned into water moisture.The final contact angle is smaller than that of pure water.The results of the simulations show that many water molecules travel down the water channel under the influence of several powerful forces,including the electrostatic force,the van der Waals force and hydrogen bond,crowding out the oil molecules on the calcite’s surface and causing the oil film to separate.The relative concentration curve of water and oil molecules indicates that the separation rate of the oil film on the surface of calcite increases with the number of sulfate ions. 展开更多
关键词 Carbonate rocks WETTABILITY sulfate ions CONCENTRATION molecular simulation desorption
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ON MONOTONE TRAVELING WAVES FOR NICHOLSON'S BLOWFLIES EQUATION WITH DEGENERATE p-LAPLACIAN DIFFUSION
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作者 Rui HUANG Yong WANG Zhuo YIN 《Acta Mathematica Scientia》 SCIE CSCD 2024年第4期1550-1571,共22页
We study the existence and stability of monotone traveling wave solutions of Nicholson's blowflies equation with degenerate p-Laplacian diffusion.We prove the existence and nonexistence of non-decreasing smooth tr... We study the existence and stability of monotone traveling wave solutions of Nicholson's blowflies equation with degenerate p-Laplacian diffusion.We prove the existence and nonexistence of non-decreasing smooth traveling wave solutions by phase plane analysis methods.Moreover,we show the existence and regularity of an original solution via a compactness analysis.Finally,we prove the stability and exponential convergence rate of traveling waves by an approximated weighted energy method. 展开更多
关键词 degenerate diffusion P-LAPLACIAN traveling waves stability
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3D robust anisotropic diffusion filtering algorithm for sparse view neutron computed tomography 3D image reconstruction
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作者 Yang Liu Teng-Fei Zhu +1 位作者 Zhi Luo Xiao-Ping Ouyang 《Nuclear Science and Techniques》 SCIE EI CAS CSCD 2024年第3期13-29,共17页
The most critical part of a neutron computed tomography(NCT) system is the image processing algorithm,which directly affects the quality and speed of the reconstructed images.Various types of noise in the system can d... The most critical part of a neutron computed tomography(NCT) system is the image processing algorithm,which directly affects the quality and speed of the reconstructed images.Various types of noise in the system can degrade the quality of the reconstructed images.Therefore,to improve the quality of the reconstructed images of NCT systems,efficient image processing algorithms must be used.The anisotropic diffusion filtering(ADF) algorithm can not only effectively suppress the noise in the projection data,but also preserve the image edge structure information by reducing the diffusion at the image edges.Therefore,we propose the application of the ADF algorithm for NCT image reconstruction.To compare the performance of different algorithms in NCT systems,we reconstructed images using the ordered subset simultaneous algebraic reconstruction technique(OS-SART) algorithm with different regular terms as image processing algorithms.In the iterative reconstruction,we selected two image processing algorithms,the Total Variation and split Bregman solved total variation algorithms,for comparison with the performance of the ADF algorithm.Additionally,the filtered back-projection algorithm was used for comparison with an iterative algorithm.By reconstructing the projection data of the numerical and clock models,we compared and analyzed the effects of each algorithm applied in the NCT system.Based on the reconstruction results,OS-SART-ADF outperformed the other algorithms in terms of denoising,preserving the edge structure,and suppressing artifacts.For example,when the 3D Shepp–Logan was reconstructed at 25 views,the root mean square error of OS-SART-ADF was the smallest among the four iterative algorithms,at only 0.0292.The universal quality index,mean structural similarity,and correlation coefficient of the reconstructed image were the largest among all algorithms,with values of 0.9877,0.9878,and 0.9887,respectively. 展开更多
关键词 NCT OS-SART Sparse-view Anisotropic diffusion filtering
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Shape and diffusion instabilities of two non-spherical gas bubbles under ultrasonic conditions
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作者 包乌日汗 王德鑫 《Chinese Physics B》 SCIE EI CAS CSCD 2024年第1期715-721,共7页
Ultrasonic cavitation involves dynamic oscillation processes induced by small bubbles in a liquid under the influence of ultrasonic waves. This study focuses on the investigation of shape and diffusion instabilities o... Ultrasonic cavitation involves dynamic oscillation processes induced by small bubbles in a liquid under the influence of ultrasonic waves. This study focuses on the investigation of shape and diffusion instabilities of two bubbles formed during cavitation. The derived equations for two non-spherical gas bubbles, based on perturbation theory and the Bernoulli equation, enable the analysis of their shape instability. Numerical simulations, utilizing the modified Keller–Miksis equation,are performed to examine the shape and diffusion instabilities. Three types of shape instabilities, namely, Rayleigh–Taylor,Rebound, and parametric instabilities, are observed. The results highlight the influence of initial radius, distance, and perturbation parameter on the shape and diffusion instabilities, as evidenced by the R_0–P_a phase diagram and the variation pattern of the equilibrium curve. This research contributes to the understanding of multiple bubble instability characteristics, which has important theoretical implications for future research in the field. Specifically, it underscores the significance of initial bubble parameters, driving pressure, and relative gas concentration in determining the shape and diffusive equilibrium instabilities of non-spherical bubbles. 展开更多
关键词 non-spherical bubble shape instability diffusive instability
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Tuning the diffusion constant to optimize the readout of positional information of spatial concentration patterns
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作者 江嘉杰 罗春雄 刘峰 《Chinese Physics B》 SCIE EI CAS CSCD 2024年第8期579-586,共8页
Positional information encoded in spatial concentration patterns is crucial for the development of multicellular organisms.However,it is still unclear how such information is affected by the physically dissipative dif... Positional information encoded in spatial concentration patterns is crucial for the development of multicellular organisms.However,it is still unclear how such information is affected by the physically dissipative diffusion process.Here we study one-dimensional patterning systems with analytical derivation and numerical simulations.We find that the diffusion constant of the patterning molecules exhibits a nonmonotonic effect on the readout of the positional information from the concentration patterns.Specifically,there exists an optimal diffusion constant that maximizes the positional information.Moreover,we find that the energy dissipation due to the physical diffusion imposes a fundamental upper limit on the positional information. 展开更多
关键词 pattern formation positional information mutual information diffusion
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A Comprehensive Survey of Recent Transformers in Image,Video and Diffusion Models
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作者 Dinh Phu Cuong Le Dong Wang Viet-Tuan Le 《Computers, Materials & Continua》 SCIE EI 2024年第7期37-60,共24页
Transformer models have emerged as dominant networks for various tasks in computer vision compared to Convolutional Neural Networks(CNNs).The transformers demonstrate the ability to model long-range dependencies by ut... Transformer models have emerged as dominant networks for various tasks in computer vision compared to Convolutional Neural Networks(CNNs).The transformers demonstrate the ability to model long-range dependencies by utilizing a self-attention mechanism.This study aims to provide a comprehensive survey of recent transformerbased approaches in image and video applications,as well as diffusion models.We begin by discussing existing surveys of vision transformers and comparing them to this work.Then,we review the main components of a vanilla transformer network,including the self-attention mechanism,feed-forward network,position encoding,etc.In the main part of this survey,we review recent transformer-based models in three categories:Transformer for downstream tasks,Vision Transformer for Generation,and Vision Transformer for Segmentation.We also provide a comprehensive overview of recent transformer models for video tasks and diffusion models.We compare the performance of various hierarchical transformer networks for multiple tasks on popular benchmark datasets.Finally,we explore some future research directions to further improve the field. 展开更多
关键词 TRANSFORMER vision transformer self-attention hierarchical transformer diffusion models
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Diffusion and reaction mechanism of limestone and quartz in fluxed iron ore pellet roasting process
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作者 Yufeng Guo Jinlai Zhang +5 位作者 Shuai Wang Jianjun Fan Haokun Li Feng Chen Kuo Liu Lingzhi Yang 《International Journal of Minerals,Metallurgy and Materials》 SCIE EI CAS CSCD 2024年第3期485-497,共13页
The increase to the proportion of fluxed pellets in the blast furnace burden is a useful way to reduce the carbon emissions in the ironmaking process.In this study,the interaction between calcium carbonate and iron or... The increase to the proportion of fluxed pellets in the blast furnace burden is a useful way to reduce the carbon emissions in the ironmaking process.In this study,the interaction between calcium carbonate and iron ore powder and the mineralization mechanism of fluxed iron ore pellet in the roasting process were investigated through diffusion couple experiments.Scanning electron microscopy with energy dispersive spectroscopy was used to study the elements’diffusion and phase transformation during the roasting process.The results indicated that limestone decomposed into calcium oxide,and magnetite was oxidized to hematite at the early stage of preheating.With the increase in roasting temperature,the diffusion rate of Fe and Ca was obviously accelerated,while the diffusion rate of Si was relatively slow.The order of magnitude of interdiffusion coefficient of Fe_(2)O_(3)-CaO diffusion couple was 10^(−10) m^(2)·s^(−1) at a roasting temperature of 1200℃for 9 h.Ca_(2)Fe_(2)O_(5) was the initial product in the Fe_(2)O_(3)-CaO-SiO_(2) diffusion interface,and then Ca_(2)Fe_(2)O_(5) continued to react with Fe_(2)O_(3) to form CaFe_(2)O_(4).With the expansion of the diffusion region,the sillico-ferrite of calcium liquid phase was produced due to the melting of SiO_(2) into CaFe_(2)O_(4),which can strengthen the consolidation of fluxed pellets.Furthermore,andradite would be formed around a small part of quartz particles,which is also conducive to the consolidation of fluxed pellets.In addition,the principle diagram of limestone and quartz diffusion reaction in the process of fluxed pellet roasting was discussed. 展开更多
关键词 fluxed iron ore pellet LIMESTONE HEMATITE QUARTZ diffusion reaction
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Accelerating H^(*)desorption of hollow Mo_(2)C nanoreactor via in-situ grown carbon dots for electrocatalytic hydrogen evolution
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作者 Mengmeng Liu Yuanyuan Jiang +3 位作者 Zhuwei Cao Lulu Liu Hong Chen Sheng Ye 《Journal of Energy Chemistry》 SCIE EI CAS CSCD 2024年第9期464-471,共8页
Molybdenum carbide(Mo_(2)C)is a promising non-noble metal electrocatalyst with electronic structures similar to Pt for hydrogen evolution reaction(HER).However,strong H^(*)adsorption at the Mo sites hinders the improv... Molybdenum carbide(Mo_(2)C)is a promising non-noble metal electrocatalyst with electronic structures similar to Pt for hydrogen evolution reaction(HER).However,strong H^(*)adsorption at the Mo sites hinders the improvement of HER performance.Here,we synthesized monodisperse hollow Mo_(2)C nanoreactors,in which the carbon dots(CD)were in situ formed onto the surface of Mo_(2)C through carburization reactions.According to finite element simulation and analysis,the CD@Mo_(2)C possesses better mesoscale diffusion properties than Mo_(2)C alone.The optimized CD@Mo_(2)C nanoreactor demonstrates superior HER performance in alkaline electrolyte with a low overpotential of 57 mV at 10 mA cm^(−2),which is better than most Mo_(2)C-based electrocatalysts.Moreover,CD@Mo_(2)C exhibits excellent electrochemical stability during 240 h,confirmed by operando Raman and X-ray diffraction(XRD).Density functional theory(DFT)calculations show that carbon dots cause the d-band center of CD@Mo_(2)C to shift away from Fermi level,promoting water dissociation and the desorption of H^(*).This study provides a reasonable strategy towards high-activity Mo-based HER eletrocatalysts by modulating the strength of Mo–H bonds. 展开更多
关键词 Mo_(2)C nanoreactor Carbon dots H^(*)desorption Electrocatalytic hydrogen evolution
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Unraveling engineering disturbance effects on deformation in red-bed mudstone railway cuttings:incorporating crack-facilitated moisture diffusion
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作者 HUANG Kang DAI Zhangjun +3 位作者 YAN Chengzeng YAO Junkai CHI Zecheng CHEN Shanxiong 《Journal of Mountain Science》 SCIE CSCD 2024年第5期1663-1682,共20页
Red-bed mudstone, prevalent in southwest China, poses a formidable challenge due to its hydrophilic clay minerals, resulting in expansion, deformation, and cracking upon exposure to moisture. This study addresses upli... Red-bed mudstone, prevalent in southwest China, poses a formidable challenge due to its hydrophilic clay minerals, resulting in expansion, deformation, and cracking upon exposure to moisture. This study addresses uplift deformation disasters in high-speed railways by employing a moisture diffusion-deformation-fracture coupling model based on the finite-discrete element method(FDEM). The model integrates the influence of cracks on moisture diffusion. The investigation into various excavation depths reveals a direct correlation between depth and the formation of tensile cracks at the bottom of the railway cutting. These cracks expedite moisture migration, significantly impacting the temporal and spatial evolution of the moisture field. Additionally, crack expansion dominates hygroscopic deformation, with the lateral coordinate of the crack zone determining peak vertical displacement. Furthermore, key factors influencing deformation in railway cuttings, including the swelling factor and initial moisture content at the bottom of the cutting, are explored. The number of tensile and shear cracks increases with greater excavation depth, particularly concerning shear cracks. Higher swelling factors and initial moisture contents result in an increased total number of cracks, predominantly shear cracks. Numerical calculations provide valuable insights, offering a scientific foundation and directional guidance for the precise prevention, control, prediction, and comprehensive treatment of mudstone-related issues in high-speed railways. 展开更多
关键词 Red-bed mudstone Railway cutting FDEM Moisture diffusion DEFORMATION CRACK
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Theoretical study of kinetic isotope effects for vacancy diffusion of impurity in solids
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作者 Yuxi Jing Xuefang Li Yun Liu 《Acta Geochimica》 EI CAS CSCD 2024年第5期959-970,共12页
Theoretical studies of the diffusionalisotope effect in solids are still stuck in the 1960s and 1970s.With the development of high spatial resolution mass spectrometers,isotopic data of mineral grains are rapidly accu... Theoretical studies of the diffusionalisotope effect in solids are still stuck in the 1960s and 1970s.With the development of high spatial resolution mass spectrometers,isotopic data of mineral grains are rapidly accumulated.To dig up information from these data,molecularlevel theoretical models are urgently needed.Based on the microscopic definition of the diffusion coe fficient(D),a new theoretical framework for calculating the diffusional isotope effect(DIE(v))(intermsofD*/D)forvacancy-mediated impurity diffusion in solids is provided based on statistical mechanics formalism.The newly derived equation shows that theDIE(v)can be easily calculated as long as the vibration frequencies of isotope-substituted solids are obtained.The calculatedDIE(v)values of^(199)Au/^(195)Au and^(60)Co/^(57)Co during diffusion in Cu and Au metals are all within 1%of errors compared to the experimental data,which shows that this theoretical model is reasonable and precise. 展开更多
关键词 Vacancy diffusion diffusional isotope effect Statistical mechanics
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MD Simulation of Diffusion Behaviors in Collision Welding Processes of Al-Cu, Al-Al, Cu-Cu
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作者 Dingyi Jin Guo Wei 《Computers, Materials & Continua》 SCIE EI 2024年第6期3455-3468,共14页
To investigate the effects of material combinations and velocity conditions on atomic diffusion behavior near collision interfaces,this study simulates the atomic diffusion behavior near collision interfaces in Cu-Al,... To investigate the effects of material combinations and velocity conditions on atomic diffusion behavior near collision interfaces,this study simulates the atomic diffusion behavior near collision interfaces in Cu-Al,Al-Al and Cu-Cu combinations fabricated through collision welding using molecular dynamic(MD)simulation.The atomic diffusion behaviors are compared between similar metal combinations(Al-Al,Cu-Cu)and dissimilar metal combinations(Al-Cu).By combining the simulation results and classical diffusion theory,the diffusion coefficients for similar and dissimilar metal material combinations under different velocity conditions are obtained.The effects of material combinations and collision velocity on diffusion behaviors are also discussed.The diffusion behaviors of dissimilar material combinations strongly depend on the transverse velocity,whereas those of the similar material combinations are more dependent on the longitudinal velocity.These findings can provide guidance for optimizing welding parameters. 展开更多
关键词 Atomic diffusion behavior molecular dynamics collision welding
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Entropy variances of pure coherent states in the diffusion channel
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作者 Wei-Feng Wu Yong Fang Peng Fu 《Chinese Physics B》 SCIE EI CAS CSCD 2024年第9期384-388,共5页
Using the operator correspondence of the real and fictious modes in the thermo entangled state representation, wesolve the quantum master equation describing the diffusion channel and obtain the Kraus operator-sum rep... Using the operator correspondence of the real and fictious modes in the thermo entangled state representation, wesolve the quantum master equation describing the diffusion channel and obtain the Kraus operator-sum representation ofits analytical solution. we find that the pure coherent states evolve into the new mixed thermal superposed states in thediffusion channel. Also, we investigate the statistical properties of the initial coherent states and their entropy evolutions inthe diffusion channel, and find that the entropy evolutions are only related to the decay time and without the amplitudes ofthe initial coherent states. 展开更多
关键词 entangled state representation diffusion channel coherent state entropy evolution
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