期刊：
Materials Science and Engineering B-Advanced Functional Solid-State Materials,2026年323:118719 ISSN：0921-5107
通讯作者：
Yueyuan Gu
作者机构：
[Zhouxi Yin; Zhaolin Liu] School of Resource Environment and Safety Engineering, University of South China, Hengyang 421001, China;School of Environmental Science and Engineering, Huazhong University of Science and Technology, Wuhan 430074, China;[Yueyuan Gu] School of Resource Environment and Safety Engineering, University of South China, Hengyang 421001, China<&wdkj&>School of Environmental Science and Engineering, Huazhong University of Science and Technology, Wuhan 430074, China
通讯机构：
[Yueyuan Gu] S;School of Resource Environment and Safety Engineering, University of South China, Hengyang 421001, China<&wdkj&>School of Environmental Science and Engineering, Huazhong University of Science and Technology, Wuhan 430074, China
摘要：
The conventional Pr 0.5 Sr 0.5 ScO 3 proton conductor is modified through Fe-doping, aiming to introduce enhanced electronic conductivity and catalytic activity into the proton-conducting oxide matrix, thereby rendering it suitable for application as a cathode for proton-conducting solid oxide fuel cells (H-SOFCs). A low Fe-doping concentration inadequately develops electronic conduction pathways within the material, diminishing its power output. Conversely, employing an oxide with excessively high Fe concentration similarly fails to yield optimal performance. Optimal cathode functionality is achieved by establishing a proper compositional equilibrium between Sc and Fe. Specifically, the Pr 0.5 Sr 0.5 Sc 0.25 Fe 0.75 O 3 cathode demonstrates superior performance, delivering a peak power density of 1730 mW cm −2 and a minimal area-specific polarization resistance of 0.0304 Ω cm 2 at 700 °C. Furthermore, Pr 0.5 Sr 0.5 Sc 0.25 Fe 0.75 O 3 exhibits excellent chemical compatibility and robust phase stability. These attributes enable sustained fuel cell operation under working conditions for over 100 h, demonstrating significant promise for practical fuel cell implementations.
The conventional Pr 0.5 Sr 0.5 ScO 3 proton conductor is modified through Fe-doping, aiming to introduce enhanced electronic conductivity and catalytic activity into the proton-conducting oxide matrix, thereby rendering it suitable for application as a cathode for proton-conducting solid oxide fuel cells (H-SOFCs). A low Fe-doping concentration inadequately develops electronic conduction pathways within the material, diminishing its power output. Conversely, employing an oxide with excessively high Fe concentration similarly fails to yield optimal performance. Optimal cathode functionality is achieved by establishing a proper compositional equilibrium between Sc and Fe. Specifically, the Pr 0.5 Sr 0.5 Sc 0.25 Fe 0.75 O 3 cathode demonstrates superior performance, delivering a peak power density of 1730 mW cm −2 and a minimal area-specific polarization resistance of 0.0304 Ω cm 2 at 700 °C. Furthermore, Pr 0.5 Sr 0.5 Sc 0.25 Fe 0.75 O 3 exhibits excellent chemical compatibility and robust phase stability. These attributes enable sustained fuel cell operation under working conditions for over 100 h, demonstrating significant promise for practical fuel cell implementations.
期刊：
Mathematics and Computers in Simulation,2026年240:877-888 ISSN：0378-4754
通讯作者：
Yunqiao Dong
作者机构：
[Yunqiao Dong; Zhengxu Tan; Biwen Li; Hengbo Sun] School of Mechanical Engineering, University of South China, Hengyang 421001, China
通讯机构：
[Yunqiao Dong] S;School of Mechanical Engineering, University of South China, Hengyang 421001, China
摘要：
In this paper, an ( α , β , γ ) distance transformation is introduced for direct computation of 3D domain integrals, which is essential when employing the time-dependent boundary element method for the transient heat conduction problems. The gradual reduction of the time step to zero in the time-dependent integral kernel may result in near-singularity. In this situation, the direct application of Gaussian quadrature is ineffective for accurately calculating the domain integrals. To address this issue, a novel distance transformation incorporating the ( α , β , γ ) coordinate transformation is presented. The ( α , β , γ ) coordinate transformation is initially employed to enhance the smoothness of the integral kernels. Subsequently, a novel distance transformation is developed, in which the time step replaces the shortest distance in the traditional distance transformation, further smoothing the integral kernels. Consequently, the near-singularity in the integrand is eliminated by the Jacobian generated through the new transformation, thereby achieving higher calculation accuracy, even with very the small time step. Numerical examples under various situations are presented, illustrating the advantages of the new method in comparison to other existing methods.
In this paper, an ( α , β , γ ) distance transformation is introduced for direct computation of 3D domain integrals, which is essential when employing the time-dependent boundary element method for the transient heat conduction problems. The gradual reduction of the time step to zero in the time-dependent integral kernel may result in near-singularity. In this situation, the direct application of Gaussian quadrature is ineffective for accurately calculating the domain integrals. To address this issue, a novel distance transformation incorporating the ( α , β , γ ) coordinate transformation is presented. The ( α , β , γ ) coordinate transformation is initially employed to enhance the smoothness of the integral kernels. Subsequently, a novel distance transformation is developed, in which the time step replaces the shortest distance in the traditional distance transformation, further smoothing the integral kernels. Consequently, the near-singularity in the integrand is eliminated by the Jacobian generated through the new transformation, thereby achieving higher calculation accuracy, even with very the small time step. Numerical examples under various situations are presented, illustrating the advantages of the new method in comparison to other existing methods.
作者机构：
[Jiaqi Wu; Jian Guo] School of Mechanical Engineering, University of South China, Hengyang, 421001, China;[Zhuan Li] Powder Metallurgy Research Institute, Central South University, Changsha, 410083, China
通讯机构：
[Jiaqi Wu] S;School of Mechanical Engineering, University of South China, Hengyang, 421001, China
摘要：
The reinforcement mechanism of modified sepiolite (Sepiolite-MgSiO 3 -CaCO 3 ) in copper-based composites under dual-path loading conditions was investigated. Results demonstrate that the composite exhibits optimal comprehensive performance at 20 % sepiolite content, with relatively moderate degradation in mechanical and thermal properties. In sliding friction tests, each 10 % increase in sepiolite content raises the friction coefficient by 4.1 %, 2.9 %, and 5.7 %, respectively, while also accelerating wear, as evidenced by expanded wear tracks and a transition in debris morphology from flocculent to laminated structures. Braking tests reveal that increasing the speed from 1500 to 6000 rpm at intervals of 1500 rpm, the fluctuation ranges of the average friction coefficient are 12 %, 6 %, and −16 %, respectively, with the friction stability coefficient following a similar trend, though the wear rate remains consistently low. The three components in modified sepiolite demonstrate synergistic anti-wear mechanisms: sepiolite forms a film-like structure through fragmentation, smoothing, and aggregation, while MgSiO 3 and CaCO 3 enhance wear resistance by plowing effects, collectively promoting a transition in the dominant wear mechanism from abrasive to adhesive wear.
The reinforcement mechanism of modified sepiolite (Sepiolite-MgSiO 3 -CaCO 3 ) in copper-based composites under dual-path loading conditions was investigated. Results demonstrate that the composite exhibits optimal comprehensive performance at 20 % sepiolite content, with relatively moderate degradation in mechanical and thermal properties. In sliding friction tests, each 10 % increase in sepiolite content raises the friction coefficient by 4.1 %, 2.9 %, and 5.7 %, respectively, while also accelerating wear, as evidenced by expanded wear tracks and a transition in debris morphology from flocculent to laminated structures. Braking tests reveal that increasing the speed from 1500 to 6000 rpm at intervals of 1500 rpm, the fluctuation ranges of the average friction coefficient are 12 %, 6 %, and −16 %, respectively, with the friction stability coefficient following a similar trend, though the wear rate remains consistently low. The three components in modified sepiolite demonstrate synergistic anti-wear mechanisms: sepiolite forms a film-like structure through fragmentation, smoothing, and aggregation, while MgSiO 3 and CaCO 3 enhance wear resistance by plowing effects, collectively promoting a transition in the dominant wear mechanism from abrasive to adhesive wear.
期刊：
Annals of Nuclear Energy,2026年226:111846 ISSN：0306-4549
通讯作者：
Meng Li
作者机构：
[Yin Zhao; Ke Zhang] School of Computing, University of South China, Hengyang, 421001, China;Hunan Engineering Research Center of Software Evaluation and Testing for Intellectual Equipment, Hengyang, 421001, China;CNNC Key Laboratory on High Trusted Computing, Hengyang, 421001, China;[Meng Li; Xiaohua Yang; Jie Liu; Shiyu Yan] School of Computing, University of South China, Hengyang, 421001, China<&wdkj&>Hunan Engineering Research Center of Software Evaluation and Testing for Intellectual Equipment, Hengyang, 421001, China<&wdkj&>CNNC Key Laboratory on High Trusted Computing, Hengyang, 421001, China
通讯机构：
[Meng Li] S;School of Computing, University of South China, Hengyang, 421001, China<&wdkj&>Hunan Engineering Research Center of Software Evaluation and Testing for Intellectual Equipment, Hengyang, 421001, China<&wdkj&>CNNC Key Laboratory on High Trusted Computing, Hengyang, 421001, China
摘要：
The multi-scale coupling program for high temperature gas-cooled reactors encompasses complex physical phenomena across the microscopic, mesoscopic, and macroscopic level. Owing to the significant development expenses and the complexity of forming precise analytical solutions, making traditional testing methods invalid, verifying multi-scale codes is hindered by the oracle problem. Metamorphic testing is an effective technique to alleviate the oracle problem. This study uses a two-stage verification method grounded in metamorphic relations, following the introduction of code verification in the nuclear domain. Upon identifying 13 metamorphic relations and 1 property based on fundamental physical characteristics, 87 test case pairs successfully revealed two deeply hidden faults undetected by traditional testing methods. The experimental findings indicate that metamorphic testing serves both as a mechanism to evaluate the code correctness and as a technique to increase the number of verification cases. Furthermore, it presents great potential for applications in the verification of nuclear software.
The multi-scale coupling program for high temperature gas-cooled reactors encompasses complex physical phenomena across the microscopic, mesoscopic, and macroscopic level. Owing to the significant development expenses and the complexity of forming precise analytical solutions, making traditional testing methods invalid, verifying multi-scale codes is hindered by the oracle problem. Metamorphic testing is an effective technique to alleviate the oracle problem. This study uses a two-stage verification method grounded in metamorphic relations, following the introduction of code verification in the nuclear domain. Upon identifying 13 metamorphic relations and 1 property based on fundamental physical characteristics, 87 test case pairs successfully revealed two deeply hidden faults undetected by traditional testing methods. The experimental findings indicate that metamorphic testing serves both as a mechanism to evaluate the code correctness and as a technique to increase the number of verification cases. Furthermore, it presents great potential for applications in the verification of nuclear software.
作者机构：
[Lingmin Zhang; Linlong He; Yinshan Lin; Juyan Wei; Shiqi Tang; Xueping Lei; Xufeng Lin; Dazhi Zhou; Juyun He; Lu Liang; Xi-Yong Yu] The Fifth Affiliated Hospital, The Affiliated Panyu Central Hospital, Guangzhou Municipal and Guangdong Provincial Key Laboratory of Molecular Target & Clinical Pharmacology, the NMPA and State Key Laboratory of Respiratory Disease, Guangdong Basic Research Center of Excellence for Respiratory Medicine, School of Pharmaceutical Sciences, Guangzhou Medical University, Guangzhou 511436, China;[Liwu Fu] State Key Laboratory of Oncology in South China, Collaborative Innovation Center for Cancer Medicine, Guangdong Esophageal Cancer Institute, Sun Yat-sen University Cancer Center, Guangzhou 510060, China;[Yuehua Li] Department of Oncology, The First Affiliated Hospital, Hengyang Medical School University of South China, Hengyang 421000, China
通讯机构：
[Yuehua Li] D;[Juyun He; Lu Liang; Xi-Yong Yu] T;Department of Oncology, The First Affiliated Hospital, Hengyang Medical School University of South China, Hengyang 421000, China<&wdkj&>The Fifth Affiliated Hospital, The Affiliated Panyu Central Hospital, Guangzhou Municipal and Guangdong Provincial Key Laboratory of Molecular Target & Clinical Pharmacology, the NMPA and State Key Laboratory of Respiratory Disease, Guangdong Basic Research Center of Excellence for Respiratory Medicine, School of Pharmaceutical Sciences, Guangzhou Medical University, Guangzhou 511436, China
摘要：
Current pharmacotherapy on the fatal lung cancer is often limited by the development of drug resistance, which significantly contributes to treatment failure. The drug resistance in cancer is associated with tumor microenvironment (TME), particularly with cancer-associated fibroblasts (CAFs). However, the present approaches show little progress in the eliminating lung cancer cells and reversing the TME synergistically. The emergence of nanomedicine offers promising strategies to overcome this challenge. In this study, we developed a proteolysis-targeting chimeras (PROTAC)-based nanodrug, designed to eliminate both lung cancer cells and CAFs, thereby amplifying the therapeutic effects. This nanodrug was constructed by loading dBET6 with US Food and Drug Administration (FDA) approved polymer Poly(lactic-co-glycolic acid) (PLGA), and further camouflaged with the hybrid membranes derived from platelet and lung cancer cells (PLMPD). PLMPD demonstrated excellent dual-targeting capabilities to both lung cancer cells and CAFs, leading to significant apoptosis in both cell types in vitro. We also found that PLMPD could inhibited the growth of Osimertinib-resistant cells. In vivo studies revealed that PLMPD enhanced tumor targeting, effectively inhibited tumor growth, and reversed the tumor-promoting TME in the lung cancer xenograft models. These findings underscore the potential of PLMPD as a promising PROTAC-based nanodrug for lung cancer therapy, offering a new avenue for overcoming drug resistance and improving treatment outcomes.
Current pharmacotherapy on the fatal lung cancer is often limited by the development of drug resistance, which significantly contributes to treatment failure. The drug resistance in cancer is associated with tumor microenvironment (TME), particularly with cancer-associated fibroblasts (CAFs). However, the present approaches show little progress in the eliminating lung cancer cells and reversing the TME synergistically. The emergence of nanomedicine offers promising strategies to overcome this challenge. In this study, we developed a proteolysis-targeting chimeras (PROTAC)-based nanodrug, designed to eliminate both lung cancer cells and CAFs, thereby amplifying the therapeutic effects. This nanodrug was constructed by loading dBET6 with US Food and Drug Administration (FDA) approved polymer Poly(lactic-co-glycolic acid) (PLGA), and further camouflaged with the hybrid membranes derived from platelet and lung cancer cells (PLMPD). PLMPD demonstrated excellent dual-targeting capabilities to both lung cancer cells and CAFs, leading to significant apoptosis in both cell types in vitro. We also found that PLMPD could inhibited the growth of Osimertinib-resistant cells. In vivo studies revealed that PLMPD enhanced tumor targeting, effectively inhibited tumor growth, and reversed the tumor-promoting TME in the lung cancer xenograft models. These findings underscore the potential of PLMPD as a promising PROTAC-based nanodrug for lung cancer therapy, offering a new avenue for overcoming drug resistance and improving treatment outcomes.
摘要：
The RAD7 detector is widely used for measuring the radon exhalation rate from the surfaces of media such as soil, rocks, and building materials. However, during the measurement process, the accuracy of the results is prone to interference due to the instrument's inherent statistical errors and environmental noise. To reduce these measurement errors, the Kalman filtering was introduced in this study to correct the radon exhalation rate, which was obtained through data fitting of radon concentration measured by the RAD7 detector. Ten verified experiments were performed with a radon exhalation standard device. The experimental result shows that 80 % of the radon exhalation rate, corrected by Kalman filtering, significantly approached the theoretical value of the standard device, compared to the uncorrected experimental results. It confirms the effectiveness of the Kalman filtering in correcting RAD7 measurements, thereby enhancing the accuracy of radon exhalation rate measurements. The proposed method provides a reference technical pathway for improving the measurement accuracy of similar radon measurement instruments.
The RAD7 detector is widely used for measuring the radon exhalation rate from the surfaces of media such as soil, rocks, and building materials. However, during the measurement process, the accuracy of the results is prone to interference due to the instrument's inherent statistical errors and environmental noise. To reduce these measurement errors, the Kalman filtering was introduced in this study to correct the radon exhalation rate, which was obtained through data fitting of radon concentration measured by the RAD7 detector. Ten verified experiments were performed with a radon exhalation standard device. The experimental result shows that 80 % of the radon exhalation rate, corrected by Kalman filtering, significantly approached the theoretical value of the standard device, compared to the uncorrected experimental results. It confirms the effectiveness of the Kalman filtering in correcting RAD7 measurements, thereby enhancing the accuracy of radon exhalation rate measurements. The proposed method provides a reference technical pathway for improving the measurement accuracy of similar radon measurement instruments.
作者机构：
[Shuling Liu; Yujie Ma; Zeyi Wang; Junyu Guo; Lin Shi] Department of Chemistry and Chemical Engineering, The Youth Innovation Team of Shaanxi Universities, Shaanxi University of Science and Technology, Xi’an, Shaanxi 710021, China;[Xiangxiang Ma] School of Civil Engineering, University of South China, 28 Changshen Road, Hengyang 421001, China
通讯机构：
[Shuling Liu] D;Department of Chemistry and Chemical Engineering, The Youth Innovation Team of Shaanxi Universities, Shaanxi University of Science and Technology, Xi’an, Shaanxi 710021, China
摘要：
The development of highly active and durable electrocatalysts for the oxygen evolution reaction (OER) is crucial for improving the overall efficiency of water splitting. Here, we reported a partial selenization strategy to fabricate iron doped nickel selenide nanosheets (Ni 0.85 Fe 0.15 Se@LDH/NF) featuring a heterostructure, using nickel foam (NF) supported NiFe-layered double hydroxide (NiFe-LDH) as a precursor, via a solvothermal reaction with selenium and sodium borohydride (NaBH 4 ). This study demonstrates that partial selenization strategy is effective in enhancing electronic properties, inhibiting iron dissolution, and improving OER performance. Compared with their single-phase counterparts (Ni 0.85 Fe 0.15 Se/NF, NiSe/NF, and LDH/NF), the Ni 0.85 Fe 0.15 Se@LDH/NF electrodes exhibit superior OER catalytic activity and long-term stability, requiring overpotentials of only 190 mV and 260 mV to deliver current densities of 10 mA·cm −2 and 100 mA·cm −2 , respectively. Furthermore, a two-electrode electrolyzer based on Ni 0.85 Fe 0.15 Se@LDH/NF achieves a current density of 100 mA·cm −2 at a low cell voltage of 1.62 V. In addition, the system maintains excellent operational stability for 100 h under both 100 mA·cm −2 and 250 mA·cm −2 in 30 wt% KOH electrolyte, demonstrating outstanding alkaline durability and promising potential for industrial applications. These findings provide a viable blueprint for the rational design of high-performance OER electrodes for large-scale water electrolysis.
The development of highly active and durable electrocatalysts for the oxygen evolution reaction (OER) is crucial for improving the overall efficiency of water splitting. Here, we reported a partial selenization strategy to fabricate iron doped nickel selenide nanosheets (Ni 0.85 Fe 0.15 Se@LDH/NF) featuring a heterostructure, using nickel foam (NF) supported NiFe-layered double hydroxide (NiFe-LDH) as a precursor, via a solvothermal reaction with selenium and sodium borohydride (NaBH 4 ). This study demonstrates that partial selenization strategy is effective in enhancing electronic properties, inhibiting iron dissolution, and improving OER performance. Compared with their single-phase counterparts (Ni 0.85 Fe 0.15 Se/NF, NiSe/NF, and LDH/NF), the Ni 0.85 Fe 0.15 Se@LDH/NF electrodes exhibit superior OER catalytic activity and long-term stability, requiring overpotentials of only 190 mV and 260 mV to deliver current densities of 10 mA·cm −2 and 100 mA·cm −2 , respectively. Furthermore, a two-electrode electrolyzer based on Ni 0.85 Fe 0.15 Se@LDH/NF achieves a current density of 100 mA·cm −2 at a low cell voltage of 1.62 V. In addition, the system maintains excellent operational stability for 100 h under both 100 mA·cm −2 and 250 mA·cm −2 in 30 wt% KOH electrolyte, demonstrating outstanding alkaline durability and promising potential for industrial applications. These findings provide a viable blueprint for the rational design of high-performance OER electrodes for large-scale water electrolysis.
期刊：
Progress in Nuclear Energy,2026年191:106036 ISSN：0149-1970
通讯作者：
Xiaohua Yang
作者机构：
School of Nuclear Science and Technology, University of South China, Hengyang, 421200, China;School of Computer Science, University of South China, Hengyang, 421200, China;Hunan Engineering Research Center of Software Evaluation and Testing for Intellectual Equipment, Hengyang, 421200, China;Key Laboratory of Advanced Nuclear Energy Design and Safety, Ministry of Education, Hengyang, 421001, China;[Jinghua Yang; Guorui Huang] School of Nuclear Science and Technology, University of South China, Hengyang, 421200, China<&wdkj&>Hunan Engineering Research Center of Software Evaluation and Testing for Intellectual Equipment, Hengyang, 421200, China<&wdkj&>Key Laboratory of Advanced Nuclear Energy Design and Safety, Ministry of Education, Hengyang, 421001, China
通讯机构：
[Xiaohua Yang] S;School of Computer Science, University of South China, Hengyang, 421200, China<&wdkj&>Hunan Engineering Research Center of Software Evaluation and Testing for Intellectual Equipment, Hengyang, 421200, China<&wdkj&>Key Laboratory of Advanced Nuclear Energy Design and Safety, Ministry of Education, Hengyang, 421001, China
摘要：
Nuclear Power Plants (NPPs) are permitted a specific level of leakage during regular operating conditions for process reasons. This paper studies the application of residual subspace kernel principal component analysis and Kullback-Leibler Divergence (RSKPCA-KLD) in the fault detecting of minor breaks, addressing the current limitations of detection thresholds for such occurrences. First of all, given the traditional kernel principal component analysis (KPCA) ignores training data redundancy, preprocessing is implemented to eliminate redundant variables and decrease the training data volume, which contains Reduced KPCA, Analysis of Variance (ANOVA), and Pearson's correlation coefficient. Second, one probability-related nonlinear statistical monitoring model is constructed by integrating KPCA residual subspace with Kullback-Leibler Divergence (KLD), which measures the probability distribution changes caused by minor shifts. Third, considering the model's performance, the grid search is implemented to optimize hyperparameters, while a sliding window approach achieves local feature extraction. The experimental findings indicate that the equivalent diameters of detectable minor breaks have decreased by an order of magnitude relative to prior research, which improves the economics of NPPs.
Nuclear Power Plants (NPPs) are permitted a specific level of leakage during regular operating conditions for process reasons. This paper studies the application of residual subspace kernel principal component analysis and Kullback-Leibler Divergence (RSKPCA-KLD) in the fault detecting of minor breaks, addressing the current limitations of detection thresholds for such occurrences. First of all, given the traditional kernel principal component analysis (KPCA) ignores training data redundancy, preprocessing is implemented to eliminate redundant variables and decrease the training data volume, which contains Reduced KPCA, Analysis of Variance (ANOVA), and Pearson's correlation coefficient. Second, one probability-related nonlinear statistical monitoring model is constructed by integrating KPCA residual subspace with Kullback-Leibler Divergence (KLD), which measures the probability distribution changes caused by minor shifts. Third, considering the model's performance, the grid search is implemented to optimize hyperparameters, while a sliding window approach achieves local feature extraction. The experimental findings indicate that the equivalent diameters of detectable minor breaks have decreased by an order of magnitude relative to prior research, which improves the economics of NPPs.
作者：
Tongliang Zhang;Lijing Zheng*;Hengtai Wang;Jie Peng;Yanjun Li
期刊：
Finite Fields and Their Applications,2026年110:102743 ISSN：1071-5797
通讯作者：
Lijing Zheng
作者机构：
College of Science, North China University of Science and Technology, Tangshan, Hebei, 063000, China;Hebei Key Laboratory of Data Science and Application, North China University of Science and Technology, Tangshan, Hebei, 063000, China;[Lijing Zheng; Hengtai Wang] School of Mathematics and Physics, University of South China, Hengyang, Hunan, 421001, China;[Jie Peng] Mathematics and Science College, Shanghai Normal University, Shanghai 200234, China;[Yanjun Li] Institute of Statistics and Applied Mathematics, Anhui University of Finance and Economics, Bengbu, Anhui, 233030, China
通讯机构：
[Lijing Zheng] S;School of Mathematics and Physics, University of South China, Hengyang, Hunan, 421001, China
摘要：
Let q = 2 m . In a recent paper [34] , Zhang and Zheng investigated several classes of permutation pentanomials of the form ϵ 0 x d 0 + L ( ϵ 1 x d 1 + ϵ 2 x d 2 ) over F q 3 ( d 0 = 1 , 2 , 4 ) with a certain linearized polynomial L ( x ) . They applied the multivariate method and specific techniques to analyze the number of solutions of certain equations, and proposed an open problem: the permutation property of some pentanomials of this form remains unproven. In this paper, inspired by the idea of [12] , we further characterize the permutation property of such pentanomials over F q 3 ( d 0 = 1 , 2 , 4 ) . The techniques presented in this paper will be useful for investigating more new classes of permutation polynomials.
Let q = 2 m . In a recent paper [34] , Zhang and Zheng investigated several classes of permutation pentanomials of the form ϵ 0 x d 0 + L ( ϵ 1 x d 1 + ϵ 2 x d 2 ) over F q 3 ( d 0 = 1 , 2 , 4 ) with a certain linearized polynomial L ( x ) . They applied the multivariate method and specific techniques to analyze the number of solutions of certain equations, and proposed an open problem: the permutation property of some pentanomials of this form remains unproven. In this paper, inspired by the idea of [12] , we further characterize the permutation property of such pentanomials over F q 3 ( d 0 = 1 , 2 , 4 ) . The techniques presented in this paper will be useful for investigating more new classes of permutation polynomials.
期刊：
Biosensors and Bioelectronics,2026年292:118108 ISSN：0956-5663
通讯作者：
Chen, Junhua;Yu, Luxin;Pan, Jiafeng
作者机构：
[Chen, Junhua] School of Life and Health Technology, Dongguan University of Technology, Dongguan, 523808, China;[Chen, Junhua] Guangdong Provincial Key Laboratory of Quality & Safety Risk Assessment for Agro-products, Guangzhou, 510640, China. Electronic address: 222chenjunhua@163.com;[Wang, Yuyan; Zeng, Ying] Hunan Province Key Laboratory of Typical Environmental Pollution and Health Hazards, School of Public Health, Hengyang Medical School, University of South China, Hengyang, 421001, China;[Yu, Luxin] Guangdong Provincial Key Laboratory of Medical Immunology and Molecular Diagnostics, the First Dongguan Affiliated Hospital, School of Medical Technology, Guangdong Medical University, Dongguan, 523808, China. Electronic address: yuluxin2006@163.com;[Pan, Jiafeng] Hunan Province Key Laboratory of Typical Environmental Pollution and Health Hazards, School of Public Health, Hengyang Medical School, University of South China, Hengyang, 421001, China. Electronic address: jiafengpan0928@163.com
通讯机构：
[Chen, Junhua; Yu, Luxin] G;[Pan, Jiafeng] H;Guangdong Provincial Key Laboratory of Quality & Safety Risk Assessment for Agro-products, Guangzhou, 510640, China. Electronic address:;Guangdong Provincial Key Laboratory of Medical Immunology and Molecular Diagnostics, the First Dongguan Affiliated Hospital, School of Medical Technology, Guangdong Medical University, Dongguan, 523808, China. Electronic address:;Hunan Province Key Laboratory of Typical Environmental Pollution and Health Hazards, School of Public Health, Hengyang Medical School, University of South China, Hengyang, 421001, China. Electronic address:
关键词：
DNA biocomputation;Fluorescent biosensor;Intelligent sensing;Logic gate;Mycotoxin;Symmetric catalytic hairpin assembly
摘要：
Despite significant progress has been made in DNA computations, the intelligent display of logic events remains a big challenge. Herein, we reported a logic system for mycotoxin sensing based on symmetric catalytic hairpin assembly (SCHA) using dumbbell DNA as the self-assembly probes. The mycotoxin-aptamer binding releases the trigger DNA, which can launch the SCHA reaction to produce the long-nicked double-stranded DNA products. The obtained fluorescence signals are used to monitor the logic outputs. The numbers “1” and “0” are used to code the mycotoxin inputs, including deoxynivalenol (DEO), ochratoxin A (OTA), and aflatoxin M1 (AFM1). The outputs are the fluorescence signals, defined as “On” and “Off” states when the fluorescence intensities are higher and lower than the threshold values, respectively. Through simulating single chip microcomputer, the mycotoxin sensing strategy has been further applied to build the multichannel intelligent display of DNA computations. Several logic circuits, including single-channel YES logic circuit, dual-channel FANOUT logic circuit, and three-channel FANOUT logic circuit, were utilized to operate the logic functions. The mycotoxin-induced logic system was successfully used to create a series of images on the basis of appropriate input combinations and biocomputing. The resulting outputs depicted symbols including a number sign, a chuckle face, a smiling face, a mask, and a Super Mario character. Our proposed logic system can not only provide a smart sensing strategy for mycotoxin monitoring, but also can realize the intelligent display of logic events.
Despite significant progress has been made in DNA computations, the intelligent display of logic events remains a big challenge. Herein, we reported a logic system for mycotoxin sensing based on symmetric catalytic hairpin assembly (SCHA) using dumbbell DNA as the self-assembly probes. The mycotoxin-aptamer binding releases the trigger DNA, which can launch the SCHA reaction to produce the long-nicked double-stranded DNA products. The obtained fluorescence signals are used to monitor the logic outputs. The numbers “1” and “0” are used to code the mycotoxin inputs, including deoxynivalenol (DEO), ochratoxin A (OTA), and aflatoxin M1 (AFM1). The outputs are the fluorescence signals, defined as “On” and “Off” states when the fluorescence intensities are higher and lower than the threshold values, respectively. Through simulating single chip microcomputer, the mycotoxin sensing strategy has been further applied to build the multichannel intelligent display of DNA computations. Several logic circuits, including single-channel YES logic circuit, dual-channel FANOUT logic circuit, and three-channel FANOUT logic circuit, were utilized to operate the logic functions. The mycotoxin-induced logic system was successfully used to create a series of images on the basis of appropriate input combinations and biocomputing. The resulting outputs depicted symbols including a number sign, a chuckle face, a smiling face, a mask, and a Super Mario character. Our proposed logic system can not only provide a smart sensing strategy for mycotoxin monitoring, but also can realize the intelligent display of logic events.
期刊：
Progress in Materials Science,2026年156:101575 ISSN：0079-6425
通讯作者：
Yongli Zhou<&wdkj&>Chen Li<&wdkj&>Jianyong Ouyang<&wdkj&>Kuan Sun
作者机构：
[Yifan Wang; Ibrahim Mwamburi Mwakitawa; Hao Yang; Mingyu Song; Qian Huang; Xinzhe Li; Pengchi Zhang; Wei Fang; Yongli Zhou; Kuan Sun] MOE Key Laboratory of Low-Grade Energy Utilization Technologies and Systems, School of Energy & Power Engineering, Chongqing University, Chongqing 400044, PR China;[Lijun Hu] Hunan Key Laboratory for the Design and Application of Actinide Complexes, School of Chemistry and Chemical Engineering, University of South China, Hengyang, Hunan 421001, PR China;[Chen Li] Sibley School of Mechanical and Aerospace Engineering, Cornell University, Ithaca, NY 14853, USA;[Jianyong Ouyang] Department of Materials Science & Engineering, National University of Singapore, Singapore
通讯机构：
[Yongli Zhou; Kuan Sun] M;[Chen Li] S;[Jianyong Ouyang] D;Department of Materials Science & Engineering, National University of Singapore, Singapore<&wdkj&>MOE Key Laboratory of Low-Grade Energy Utilization Technologies and Systems, School of Energy & Power Engineering, Chongqing University, Chongqing 400044, PR China<&wdkj&>Sibley School of Mechanical and Aerospace Engineering, Cornell University, Ithaca, NY 14853, USA
摘要：
Ionic thermoelectrics (i-TEs) are emerging as a promising, sustainable technology for low-grade heat recovery, notable for their absence of moving mechanical parts. In recent years, significant advancements in i-TE materials and devices have been propelled by their advantages in thermal power generation, compatibility with room-temperature operation, and potential for integration into flexible, wearable devices. However, challenges remain to be addressed for practical future applications, primarily due to insufficient evaluations of innovative operational modes and materials. This review aims to bridge this gap by summarizing key existing theories and providing an in-depth analysis of ion migration mechanisms within i-TE capacitors. We also highlight significant contributions from leading studies, focusing on material selection, operational modes, performance characteristics, and pivotal discoveries. Ultimately, this review seeks to identify transformative approaches in i-TEs to foster innovative designs for practical applications.
Ionic thermoelectrics (i-TEs) are emerging as a promising, sustainable technology for low-grade heat recovery, notable for their absence of moving mechanical parts. In recent years, significant advancements in i-TE materials and devices have been propelled by their advantages in thermal power generation, compatibility with room-temperature operation, and potential for integration into flexible, wearable devices. However, challenges remain to be addressed for practical future applications, primarily due to insufficient evaluations of innovative operational modes and materials. This review aims to bridge this gap by summarizing key existing theories and providing an in-depth analysis of ion migration mechanisms within i-TE capacitors. We also highlight significant contributions from leading studies, focusing on material selection, operational modes, performance characteristics, and pivotal discoveries. Ultimately, this review seeks to identify transformative approaches in i-TEs to foster innovative designs for practical applications.
期刊：
Annals of Nuclear Energy,2026年226:111875 ISSN：0306-4549
通讯作者：
Zhao, PC
作者机构：
[Li, Feiyang; Liu, Zijing; Zeng, Youwei; Zhao, Pengcheng] Univ South China, Sch Nucl Sci & Technol, Hengyang 421001, Hunan, Peoples R China.;[Li, Feiyang; Liu, Zijing; Zeng, Youwei; Zhao, Pengcheng] Minist Educ, Key Lab Adv Nucl Energy Design & Safety, Hengyang 421001, Peoples R China.;[Li, Wei] Univ South China, Sch Resource Environm & Safety Engn, Hengyang 421200, Peoples R China.
通讯机构：
[Zhao, PC ] U;Univ South China, Sch Nucl Sci & Technol, Hengyang 421001, Hunan, Peoples R China.
关键词：
Lead-bismuth fast reactor;Active learning strategy;Integrated surrogate model;Passive system;Reliability analysis
摘要：
Passive residual heat removal systems ensure the safe operation of lead–bismuth fast reactors. However, the resistance of such systems is similar to natural driving forces, while small fluctuations in the surrounding environment and material parameters can cause system failure; thus, analyzing the reliability of passive residual heat removal systems is important for lead–bismuth cooling. This study utilizes the passive system in the lead–bismuth eutectic loop of the TALL-3D experimental facility and proposes a reliability analysis based on the active learning-integration (AL-I) surrogate model. The AL-I surrogate model is constructed first, and single-failure and multiple-failure region validations are performed to ensure accuracy and robustness of the model. Subsequently, the sensitivity and reliability of the TALL-3D non-energetic system is determined. The active learning ensemble surrogate model only needs 99 low-cost numerical calculations to obtain a reliable result with a failure rate of 0.0650%. This model not only significantly reduces the computational resources and time costs, but also allows high-precision failure probability assessments. Therefore, this study shows that the AL-I surrogate model is advantageous for lead–bismuth cooled non-energetic waste heat discharge systems and offers solid technical support for engineering such systems.
Passive residual heat removal systems ensure the safe operation of lead–bismuth fast reactors. However, the resistance of such systems is similar to natural driving forces, while small fluctuations in the surrounding environment and material parameters can cause system failure; thus, analyzing the reliability of passive residual heat removal systems is important for lead–bismuth cooling. This study utilizes the passive system in the lead–bismuth eutectic loop of the TALL-3D experimental facility and proposes a reliability analysis based on the active learning-integration (AL-I) surrogate model. The AL-I surrogate model is constructed first, and single-failure and multiple-failure region validations are performed to ensure accuracy and robustness of the model. Subsequently, the sensitivity and reliability of the TALL-3D non-energetic system is determined. The active learning ensemble surrogate model only needs 99 low-cost numerical calculations to obtain a reliable result with a failure rate of 0.0650%. This model not only significantly reduces the computational resources and time costs, but also allows high-precision failure probability assessments. Therefore, this study shows that the AL-I surrogate model is advantageous for lead–bismuth cooled non-energetic waste heat discharge systems and offers solid technical support for engineering such systems.
作者：
Nan Li;Xianzhe Duan*;Jiawei Wang;Nadia Cheemaa;Hafiza Tasneem Nazish;...
期刊：
Progress in Nuclear Energy,2026年191:106104 ISSN：0149-1970
通讯作者：
Xianzhe Duan
作者机构：
[Nan Li] School of Resource and Environment and Safety Engineering, University of South China, Hengyang, 421001, China;Hunan Key Laboratory of the Rare Metal Minerals Exploitation and Geological Disposal of Wastes, Hengyang, 421001, China;National Key Laboratory for Nuclear Facility Decommissioning and Ecological Restoration, Hengyang, 421001, China;[Jiawei Wang] Beijing Research Institute of Uranium Geology, Beijing, 100029, China;School of Mathematics and Physics, University of South China, Hengyang, 421001, China
通讯机构：
[Xianzhe Duan] S;School of Resource and Environment and Safety Engineering, University of South China, Hengyang, 421001, China<&wdkj&>Hunan Key Laboratory of the Rare Metal Minerals Exploitation and Geological Disposal of Wastes, Hengyang, 421001, China<&wdkj&>National Key Laboratory for Nuclear Facility Decommissioning and Ecological Restoration, Hengyang, 421001, China
摘要：
Radionuclide pollution, driven by the rapid development of nuclear energy, has emerged as a critical environmental concern. Effectively managing radioactive nuclide pollutants to mitigate their impact on the ecological environment and human health is an urgent challenge. Bentonite, a naturally occurring mineral, is known for its strong adsorption capacity due to its unique mineral composition and structure, showing significant potential in nuclear waste management and environmental remediation. Its TOT layered structure, high ion exchange capacity, and large surface area enable effective adsorption of various radioactive nuclides, such as uranium (U), strontium-90 ( 90 Sr), cesium-137 ( 137 Cs), and selenium-79 ( 79 Se), playing a vital role in water pollution remediation and nuclear waste isolation. However, its adsorption performance is influenced by inherent physical-chemical properties and environmental conditions. Radiation exposure, especially from ionizing radiation (alpha, beta, and gamma), can significantly alter bentonite's structure, reducing its adsorption capacity, swelling behavior, and long-term stability. Significant advancements have been made in modifying bentonite. Modification techniques such as acid-base treatment, composite material enhancement, surface functionalization, and the addition of radiation-shielding additives have improved bentonite's adaptability and performance. This study reviews the current state of bentonite and its modified derivatives for radionuclide adsorption, examines their adsorption mechanisms and modification strategies, analyzes influencing factors, and explores potential applications in future nuclear waste management and environmental remediation. By optimizing its adsorption behavior and modification technologies, bentonite is expected to provide safer, more efficient, and sustainable solutions for controlling radioactive pollution, contributing to global nuclear pollution governance.
Radionuclide pollution, driven by the rapid development of nuclear energy, has emerged as a critical environmental concern. Effectively managing radioactive nuclide pollutants to mitigate their impact on the ecological environment and human health is an urgent challenge. Bentonite, a naturally occurring mineral, is known for its strong adsorption capacity due to its unique mineral composition and structure, showing significant potential in nuclear waste management and environmental remediation. Its TOT layered structure, high ion exchange capacity, and large surface area enable effective adsorption of various radioactive nuclides, such as uranium (U), strontium-90 ( 90 Sr), cesium-137 ( 137 Cs), and selenium-79 ( 79 Se), playing a vital role in water pollution remediation and nuclear waste isolation. However, its adsorption performance is influenced by inherent physical-chemical properties and environmental conditions. Radiation exposure, especially from ionizing radiation (alpha, beta, and gamma), can significantly alter bentonite's structure, reducing its adsorption capacity, swelling behavior, and long-term stability. Significant advancements have been made in modifying bentonite. Modification techniques such as acid-base treatment, composite material enhancement, surface functionalization, and the addition of radiation-shielding additives have improved bentonite's adaptability and performance. This study reviews the current state of bentonite and its modified derivatives for radionuclide adsorption, examines their adsorption mechanisms and modification strategies, analyzes influencing factors, and explores potential applications in future nuclear waste management and environmental remediation. By optimizing its adsorption behavior and modification technologies, bentonite is expected to provide safer, more efficient, and sustainable solutions for controlling radioactive pollution, contributing to global nuclear pollution governance.
期刊：
Annals of Nuclear Energy,2026年227:111958 ISSN：0306-4549
通讯作者：
Pengcheng Zhao
作者机构：
School of Nuclear Science and Technology, University of South China, Hengyang, Hunan 421001, China;Key Laboratory of Advanced Nuclear Energy Design and Safety, Ministry of Education, Hengyang 421001, China;[Haowei Lin; Ziyan Zhao; Congyi Wen; Wei Li; Zijing Liu] School of Nuclear Science and Technology, University of South China, Hengyang, Hunan 421001, China<&wdkj&>Key Laboratory of Advanced Nuclear Energy Design and Safety, Ministry of Education, Hengyang 421001, China
摘要：
Printed circuit heat exchangers (PCHEs) are known for their compact design and efficient heat transfer characteristics; however, optimizing their flow and heat transfer using the finite volume method is computationally inefficient. This study combines Proper orthogonal decomposition (POD), Randomized singular value decomposition (RSVD), and Gaussian process regression (GPR) to develop a reduced-order model with enhanced optimization efficiency. Using Latin hypercube sampling, operational parameters are fed into Fluent to generate sample data for the reduced-order model, which predicts the PCHE flow and heat transfer characteristics under new operational conditions. The model efficiently decomposes high-rank matrices and accurately predicts the PCHE multi-physics field distributions. Within the sample space, 84.47 % of grid points exhibit relative percentage errors below 2 % for temperature field predictions, while 82.31 % of data points demonstrate velocity magnitude errors within 4 %. Notably, 96.4 % of points show velocity vector angular deviations under 2°. For extrapolated samples outside the sample space, the GPR model yields average relative percentage errors of 8.1 % for temperature field and 42.3 % for velocity magnitude, with an average velocity direction deviation angle of 22.4°. Through detailed analysis of extrapolation cases, we established that the RMSE growth of both velocity and temperature fields follows approximately quadratic functions with increasing extrapolation distance and the errors become particularly pronounced at structural edges with steep physical gradients. To maintain prediction accuracy, strict limitations must be imposed on the allowable deviation distance of extrapolated samples from the original sample space. The GPR-based reduced-order model achieves a 3.3-fold memory reduction (1889.2 MB vs 6250 MB) and 70 × faster computation (6.5 s vs 7.5 min) compared to conventional CFD simulations using Fluent. Overall, the model offers valuable insights for simplifying three-dimensional multi-physical field computations.
Printed circuit heat exchangers (PCHEs) are known for their compact design and efficient heat transfer characteristics; however, optimizing their flow and heat transfer using the finite volume method is computationally inefficient. This study combines Proper orthogonal decomposition (POD), Randomized singular value decomposition (RSVD), and Gaussian process regression (GPR) to develop a reduced-order model with enhanced optimization efficiency. Using Latin hypercube sampling, operational parameters are fed into Fluent to generate sample data for the reduced-order model, which predicts the PCHE flow and heat transfer characteristics under new operational conditions. The model efficiently decomposes high-rank matrices and accurately predicts the PCHE multi-physics field distributions. Within the sample space, 84.47 % of grid points exhibit relative percentage errors below 2 % for temperature field predictions, while 82.31 % of data points demonstrate velocity magnitude errors within 4 %. Notably, 96.4 % of points show velocity vector angular deviations under 2°. For extrapolated samples outside the sample space, the GPR model yields average relative percentage errors of 8.1 % for temperature field and 42.3 % for velocity magnitude, with an average velocity direction deviation angle of 22.4°. Through detailed analysis of extrapolation cases, we established that the RMSE growth of both velocity and temperature fields follows approximately quadratic functions with increasing extrapolation distance and the errors become particularly pronounced at structural edges with steep physical gradients. To maintain prediction accuracy, strict limitations must be imposed on the allowable deviation distance of extrapolated samples from the original sample space. The GPR-based reduced-order model achieves a 3.3-fold memory reduction (1889.2 MB vs 6250 MB) and 70 × faster computation (6.5 s vs 7.5 min) compared to conventional CFD simulations using Fluent. Overall, the model offers valuable insights for simplifying three-dimensional multi-physical field computations.
作者机构：
[Deqian Zeng; Qingru Zeng; Xiangbiao Yin; Yuezhou Wei] School of Nuclear Science and Technology, University of South China, Hengyang 421001, China;[Jizhou Jiang] School of Materials Science and Engineering, State Key Laboratory of Green and Efficient Development of Phosphorus Resources, Engineering Research Center of Phosphorus Resources Development and Utilization of Ministry of Education, Key Laboratory of Green Chemical Engineering Process of Ministry of Education, Hubei Key Laboratory of Plasma Chemistry and Advanced Materials, Novel Catalytic Materials of Hubei Engineering Research Center, Wuhan Institute of Technology, Wuhan 430205, China;School of Resources, Environment and Materials, Guangxi University, Nanning 530004, China;[Yimin Liu] School of Nuclear Science and Technology, University of South China, Hengyang 421001, China<&wdkj&>School of Resources, Environment and Materials, Guangxi University, Nanning 530004, China
通讯机构：
[Jizhou Jiang] S;School of Materials Science and Engineering, State Key Laboratory of Green and Efficient Development of Phosphorus Resources, Engineering Research Center of Phosphorus Resources Development and Utilization of Ministry of Education, Key Laboratory of Green Chemical Engineering Process of Ministry of Education, Hubei Key Laboratory of Plasma Chemistry and Advanced Materials, Novel Catalytic Materials of Hubei Engineering Research Center, Wuhan Institute of Technology, Wuhan 430205, China
摘要：
Addressing water pollution and energy scarcity necessitates the development of highly efficient and stable photocatalytic materials. Herein, we report the synthesis of a novel 2D-0D CdSe-CuInSe 2 heterostructure that possesses dual capabilities: enhanced photocatalytic H 2 evolution and organic dye purification. The optimal CdSe-8 % CuInSe 2 exhibits a remarkable 6-fold increase in H 2 production rate compared to pure CdSe (9634 µmol g −1 h −1 vs. 1580 µmol g −1 h −1 ), and achieves about 93 % rhodamine B (RhB) dye purification within 90 min. Furthermore, active species trapping experiments confirm the purification process involves the participation of superoxide radicals (·O 2 − ), hydroxyl radicals (·OH), and photogenerated holes (h + ). The notable enhancement in photocatalytic performance is ascribed to the incorporation of CuInSe 2 nanoparticles into CdSe nanosheets, effectively suppressing charge recombination. Experimental results, including Kelvin probe force microscopy (KPFM), femtosecond time-resolved transient absorption spectroscopy (fs-TAS), in-situ X-ray photoelectron spectroscopy (XPS), and density functional theory (DFT) calculations, validate the proposed type-II charge transfer mechanism within the 2D-0D CdSe-CuInSe 2 heterojunction. Toxicity assessment shows a significant decrease in toxic properties in purification intermediates. This work presents a promising metal Se-based heterojunction for simultaneous water splitting and wastewater purification, laying the groundwork for an efficient and sustainable dual-function photocatalytic system.
Addressing water pollution and energy scarcity necessitates the development of highly efficient and stable photocatalytic materials. Herein, we report the synthesis of a novel 2D-0D CdSe-CuInSe 2 heterostructure that possesses dual capabilities: enhanced photocatalytic H 2 evolution and organic dye purification. The optimal CdSe-8 % CuInSe 2 exhibits a remarkable 6-fold increase in H 2 production rate compared to pure CdSe (9634 µmol g −1 h −1 vs. 1580 µmol g −1 h −1 ), and achieves about 93 % rhodamine B (RhB) dye purification within 90 min. Furthermore, active species trapping experiments confirm the purification process involves the participation of superoxide radicals (·O 2 − ), hydroxyl radicals (·OH), and photogenerated holes (h + ). The notable enhancement in photocatalytic performance is ascribed to the incorporation of CuInSe 2 nanoparticles into CdSe nanosheets, effectively suppressing charge recombination. Experimental results, including Kelvin probe force microscopy (KPFM), femtosecond time-resolved transient absorption spectroscopy (fs-TAS), in-situ X-ray photoelectron spectroscopy (XPS), and density functional theory (DFT) calculations, validate the proposed type-II charge transfer mechanism within the 2D-0D CdSe-CuInSe 2 heterojunction. Toxicity assessment shows a significant decrease in toxic properties in purification intermediates. This work presents a promising metal Se-based heterojunction for simultaneous water splitting and wastewater purification, laying the groundwork for an efficient and sustainable dual-function photocatalytic system.
期刊：
Computers and Geotechnics,2026年190:107677 ISSN：0266-352X
通讯作者：
Ling-ling Wu<&wdkj&>Kai-wen Tong
作者机构：
School of Resource & Environment and Safety Engineering, University of South China, Hengyang 421001, China;Hunan Province & Hengyang City Engineering Technology Research Center for Disaster Prediction and Control on Mining Geotechnical Engineering, Hengyang 421001, China;[Zhi-jun Zhang; Jin-xiang Deng; Chang-fu Wei; Ya-kun Tian; Lin Hu; Min Wang] School of Resource & Environment and Safety Engineering, University of South China, Hengyang 421001, China<&wdkj&>Hunan Province & Hengyang City Engineering Technology Research Center for Disaster Prediction and Control on Mining Geotechnical Engineering, Hengyang 421001, China
摘要：
In this paper, explicit microscopic aggregate models and macroscopic particle bed models were constructed based on the Gay–Berne (GB) potential and homogenization theory. Using coarse-grained molecular dynamics (CGMD) and the discrete element method (DEM), the bottom-up swelling characteristics of montmorillonite with different water contents and initial dry densities were studied to elucidate the swelling mechanism and scale effects. The simulation results showed that the appropriate GB potential well depth for describing the interactions between Wyoming sodium montmorillonite and water was 300 kcal/mol. Considering the simulation cost and accuracy, the diameter of coarse-grained (CG) spherical montmorillonite particles was determined to be 1.0 mm. At both the micro- and macroscale, the swelling stress was proportional to the water content and initial dry density, but the effect of the initial dry density was more significant. There was also a linear positive correlation between the logarithm of the swelling stress of the aggregates and the final dry density compared with the macroscopic results, but the microscale swelling stress was greater. At the microscopic level, the swelling features of montmorillonite were affected by the differences in pore water type and were fundamentally dependent on the distribution of tactoids. While there was also an approximately linear relationship between the total number of tactoids and the logarithm of the macroscopic swelling stress, the macroscopic swelling stress was smaller due to the dispersion effects of load transfer and restricted inter-particle contacts caused by partially plastic overlap, frictional losses and rolling-dominated contacts between CG particles. Moreover, owing to the assumption of spatially homogeneous water distribution, isotropic deformation and the difference in degree of saturation, the developed mesoscale montmorillonite swelling model was applicable for predicting the macroscale swelling properties of systems with initial dry densities less than 1.58 Mg/m 3 . This work provides an effective tool for subsequently establishing multiscale swelling constitutive models of montmorillonite and explaining the macro–micro swelling characteristics of montmorillonite-based materials.
In this paper, explicit microscopic aggregate models and macroscopic particle bed models were constructed based on the Gay–Berne (GB) potential and homogenization theory. Using coarse-grained molecular dynamics (CGMD) and the discrete element method (DEM), the bottom-up swelling characteristics of montmorillonite with different water contents and initial dry densities were studied to elucidate the swelling mechanism and scale effects. The simulation results showed that the appropriate GB potential well depth for describing the interactions between Wyoming sodium montmorillonite and water was 300 kcal/mol. Considering the simulation cost and accuracy, the diameter of coarse-grained (CG) spherical montmorillonite particles was determined to be 1.0 mm. At both the micro- and macroscale, the swelling stress was proportional to the water content and initial dry density, but the effect of the initial dry density was more significant. There was also a linear positive correlation between the logarithm of the swelling stress of the aggregates and the final dry density compared with the macroscopic results, but the microscale swelling stress was greater. At the microscopic level, the swelling features of montmorillonite were affected by the differences in pore water type and were fundamentally dependent on the distribution of tactoids. While there was also an approximately linear relationship between the total number of tactoids and the logarithm of the macroscopic swelling stress, the macroscopic swelling stress was smaller due to the dispersion effects of load transfer and restricted inter-particle contacts caused by partially plastic overlap, frictional losses and rolling-dominated contacts between CG particles. Moreover, owing to the assumption of spatially homogeneous water distribution, isotropic deformation and the difference in degree of saturation, the developed mesoscale montmorillonite swelling model was applicable for predicting the macroscale swelling properties of systems with initial dry densities less than 1.58 Mg/m 3 . This work provides an effective tool for subsequently establishing multiscale swelling constitutive models of montmorillonite and explaining the macro–micro swelling characteristics of montmorillonite-based materials.
摘要：
The mechanical properties of sandstone, a common building material, are influenced by a variety of factors. In the coastal areas of China, groundwater has gradually become salinized into brine, which inevitably alters the original microstructure of rocks and affects the stability of underground structures. To clarify the evolution of the rock microstructure under brine erosion, this study used NMR technology to investigate the pore evolution characteristics of red sandstone under brine erosion. The experimental results show that the water absorption capacity of sandstone is influenced by the solution environment, with the lowest absorption rate occurring in regard to brine. The pores in red sandstone undergo significant changes after brine erosion. Factors such as the composition of the brine and soaking time affect sandstone porosity, with transformations of mini-pores and meso-pores leading to changes in porosity. In addition, XRD tests were carried out on the soaked red sandstone samples to analyze the changes in the main mineral components of the sandstone after brine erosion.
摘要：
Photocatalytic reduction is a promising way to remove radioactive uranium U(VI) in wastewater. Herein, an S-scheme ZnO@ZnS heterojunction with hollow structure and dual-vacancies of Zn and S (ZnV, SV) is developed. The hollow confined space enhances light trapping ability through multiple light scattering and reflection, while the existence of vacancies extends light absorption, further enhancing the utilization of solar spectrum. Furthermore, the density function theory (DFT) calculations demonstrate that co-sharing of metal atoms at the interface and the ZnV and SV dual-vacancies induce enhanced internal electric field (IEF), leading to facilitated S-scheme charge transfer, thereby resulting in improved retention of redox potential and suppressed carrier recombination dynamics. ZnO@ZnS shows a highest U(VI) removal rate of 96.48% along with a highest U enrichment of 514.33 mg/g, which is 3.6 and 2.7-folds enhanced compared to pristine ZnO and ZnS, respectively. Through various quenching experiments, a potential new mechanism for the catalytic reduction of U(VI) is proposed. Our findings reveal the involvement of h+ in the reaction, highlighting its significant catalytic role in the reduction process. Moreover, ZnO@ZnS performs excellent U(VI) extraction ability in open-air conditions without any sacrificial agents, revealing the great significance for practical applications.
Photocatalytic reduction is a promising way to remove radioactive uranium U(VI) in wastewater. Herein, an S-scheme ZnO@ZnS heterojunction with hollow structure and dual-vacancies of Zn and S (ZnV, SV) is developed. The hollow confined space enhances light trapping ability through multiple light scattering and reflection, while the existence of vacancies extends light absorption, further enhancing the utilization of solar spectrum. Furthermore, the density function theory (DFT) calculations demonstrate that co-sharing of metal atoms at the interface and the ZnV and SV dual-vacancies induce enhanced internal electric field (IEF), leading to facilitated S-scheme charge transfer, thereby resulting in improved retention of redox potential and suppressed carrier recombination dynamics. ZnO@ZnS shows a highest U(VI) removal rate of 96.48% along with a highest U enrichment of 514.33 mg/g, which is 3.6 and 2.7-folds enhanced compared to pristine ZnO and ZnS, respectively. Through various quenching experiments, a potential new mechanism for the catalytic reduction of U(VI) is proposed. Our findings reveal the involvement of h+ in the reaction, highlighting its significant catalytic role in the reduction process. Moreover, ZnO@ZnS performs excellent U(VI) extraction ability in open-air conditions without any sacrificial agents, revealing the great significance for practical applications.
