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Interfacial potential barrier theory of friction and wear

XU Zhongming, DING Lingyun, HUANG Ping, XU Zhongming

《机械工程前沿（英文）》 2008年 第3卷 第3期   页码 276-282 doi: 10.1007/s11465-008-0043-0

摘要： An interfacial potential barrier theory to calculate friction and wear is proposed by considering the micro interaction of frictional surfaces. The theory suggests that the performance of friction and wear depends on the magnitude and distribution of the interfacial potential barrier on contact surfaces. The calculation methods of the interfacial potential barrier and standard interfacial potential barrier are then studied and the formulas to calculate the friction force, friction coefficient, and quantity of adhesion wear are derived based on the theory. With its independence and stability, the standard interfacial potential barrier can be used as an index to describe the frictional performance of materials. The calculation results of the friction force with some existing experimental data are consistent with the experimental results performed with an ultra high vacuum atomic-force microscope, which proves that the theory and method are feasible.

关键词： coefficient     standard interfacial     interaction     formulas     calculation    

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Interfacial Forces and Surface Interaction Mechanisms in Petroleum Production"> Erratum to "Probing the Interfacial Forces and Surface Interaction Mechanisms in Petroleum Production Erratum

Diling Yang,Xuwen Peng,Qiongyao Peng,Tao Wang,Chenyu Qiao,Ziqian Zhao,Lu Gong,Yueliang Liu,Hao Zhang,Hongbo Zeng

《工程（英文）》 2023年 第22卷 第3期   页码 233-233 doi: 10.1016/j.eng.2023.02.001

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Development, applications and challenges of ReaxFF reactive force field in molecular simulations

You Han, Dandan Jiang, Jinli Zhang, Wei Li, Zhongxue Gan, Junjie Gu

《化学科学与工程前沿（英文）》 2016年 第10卷 第1期   页码 16-38 doi: 10.1007/s11705-015-1545-z

摘要： As an advanced and new technology in molecular simulation fields, ReaxFF reactive force field has been developed and widely applied during the last two decades. ReaxFF bridges the gap between quantum chemistry (QC) and non-reactive empirical force field based molecular simulation methods, and aims to provide a transferable potential which can describe many chemical reactions with bond formation and breaking. This review presents an overview of the development and applications of ReaxFF reactive force field in the fields of reaction processes, biology and materials, including (1) the mechanism studies of organic reactions under extreme conditions (like high temperatures and pressures) related with high-energy materials, hydrocarbons and coals, (2) the structural properties of nanomaterials such as graphene oxides, carbon nanotubes, silicon nanowires and metal nanoparticles, (3) interfacial interactions of solid-solid, solid-liquid and biological/inorganic surfaces, (4) the catalytic mechanisms of many types of metals and metal oxides, and (5) electrochemical mechanisms of fuel cells and lithium batteries. The limitations and challenges of ReaxFF reactive force field are also mentioned in this review, which will shed light on its future applications to a wider range of chemical environments.

关键词： ReaxFF     reaction mechanism     nanomaterials     interfacial interaction     catalyst     fuel cell    

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The effects of interfacial strength on fractured microcapsule

Luthfi Muhammad MAULUDIN, Chahmi OUCIF

《结构与土木工程前沿（英文）》 2019年 第13卷 第2期   页码 353-363 doi: 10.1007/s11709-018-0469-3

摘要： The effects of interfacial strength on fractured microcapsule are investigated numerically. The interaction between crack and microcapsule embedded in mortar matrix is modeled based on cohesive approach. The microcapsules are modelled with variation of core-shell thickness ratio and potential cracks are represented by pre-inserted cohesive elements along the element boundaries of the mortar matrix, microcapsules core, microcapsule shell, and at the interfaces between these phases. Special attention is given to the effects of cohesive fracture on the microcapsule interface, namely fracture strength, on the load carrying capacity and fracture probability of the microcapsule. The effect of fracture properties on microcapsule is found to be significant factor on the load carrying capacity and crack propagation characteristics. Regardless of core-shell thickness ratio of microcapsule, the load carrying capacity of self-healing material under tension increases as interfacial strength of microcapsule shell increases. In addition, given the fixed fracture strength of the interface of microcapsule shell, the higher the ratio core-shell thickness, the higher the probability of microcapsules being fractured.

关键词： interfacial strength     cohesive elements     microcapsule     core-shell thickness ratio     fracture properties    

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Construction of interfacial dynamic bonds for high performance lignin/polymer biocomposites

《化学科学与工程前沿（英文）》 2023年 第17卷 第10期   页码 1372-1388 doi: 10.1007/s11705-023-2302-3

摘要： Lignin is the largest natural aromatic biopolymer, but usually treated as industrial biomass waste. The development of lignin/polymer biocomposites can promote the high value utilization of lignin and the greening of polymers. However, the weak interfacial interaction between industrial lignin and polymer induces poor compatibility and serious agglomeration in polymer owing to the strong intermolecular force of lignin. As such, it is extremely difficult to prepare high performance lignin/polymer biocomposites. Recently, we proposed the strategy of in situ construction of interfacial dynamic bonds in lignin/polymer composites. By taking advantage of the abundant oxygen-containing polar groups of lignin, we inserted dynamic bonding connection such as hydrogen bonds and coordination bonds into the interphase between lignin and the polymer matrix to improve the interfacial interactions. Meanwhile, the natural amphiphilic structure characteristics of lignin were utilized to construct the hierarchical nanophase separation structure in lignin/polymer composites. The persistent problems of poor dispersity and interfacial compatibility of lignin in the polymer matrix were effectively solved. The lignin-modified polymer composites achieved simultaneously enhanced strength and toughness. This concise review systematically summarized the recent research progress of our group toward building high-performance lignin/polymer biocomposites through the design of interfacial dynamic bonds (hydrogen bonds, coordination bonds, and dynamic covalent bonds) between lignin and different polymer systems (polar plastics, rubber, polyurethane, hydrogels, and other polymers). Finally, the future development direction, main challenges, and potential solutions of lignin application in polymers were presented.

关键词： lignin     polymer     interfacial dynamic bonds    

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Studies on the liquid-liquid interfacial mass transfer process using holographic interferometry

ZHAO Chaofan, ZHU Chunying, MA Youguang

《化学科学与工程前沿（英文）》 2008年 第2卷 第1期   页码 1-4 doi: 10.1007/s11705-008-0006-3

摘要： This paper aims at the interfacial phenomena of liquid-liquid mass transfer and its characteristic. By using the real-time holographic technique, the concentration distributions on the aqueous side were obtained according to holographic diagrams of mass transfer of ethanol through the interface of oil and water at different initial concentrations. Furthermore, the concentrations near the interface and the mass transfer coefficients were attained. A correlation of concentration near the interface to the concentration of the solute in the oil side was proposed. An approach of interfacial energy with solute concentration was established, and the calculated results are at good agreement with the experimental data. It is indicated that the liquid-liquid mass transfer process is approximately in accordance with two-film theory, the interfacial performance may be changed by the addition of the solute, and the interface of liquid-liquid is non-equilibrium thermodynamically during the mass transfer process.

关键词： liquid-liquid     different     real-time holographic     addition     transfer    

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Interfacial induction and regulation for microscale crystallization process: a critical review

《化学科学与工程前沿（英文）》 2022年 第16卷 第6期   页码 838-853 doi: 10.1007/s11705-021-2129-8

摘要： Microscale crystallization is at the frontier of chemical engineering, material science, and biochemical research and is affected by many factors. The precise regulation and control of microscale crystal processes is still a major challenge. In the heterogeneous induced nucleation process, the chemical and micro/nanostructural characteristics of the interface play a dominant role. Ideal crystal products can be obtained by modifying the interface characteristics, which has been proven to be a promising strategy. This review illustrates the application of interface properties, including chemical characteristics (hydrophobicity and functional groups) and the morphology of micro/nanostructures (rough structure and cavities, pore shape and pore size, surface porosity, channels), in various microscale crystallization controls and process intensification. Finally, possible future research and development directions are outlined to emphasize the importance of interfacial crystallization control and regulation for crystal engineering.

关键词： interfacial crystallization     heterogeneous nucleation     supersaturation     micro/nanostructure     process control and intensification    

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Controlling microbiological interfacial behaviors of hydrophobic organic compounds by surfactants in

ZHANG Dong,ZHU Lizhong

《环境科学与工程前沿（英文）》 2014年 第8卷 第3期   页码 305-315 doi: 10.1007/s11783-014-0647-z

摘要： Bioremediation of hydrophobic organic compounds (HOCs) contaminated soils involves several physicochemical and microbiological interfacial processes among the soil-water-microorganism interfaces. The participation of surfactants facilitates the mass transport of HOCs in both the physicochemical and microbiological interfaces by reducing the interfacial tension. The effects and underlying mechanisms of surfactants on the physicochemical desorption of soil-sorbed HOCs have been widely studied. This paper reviewed the progress made in understanding the effects of surfactant on microbiological interfacial transport of HOCs and the underlying mechanisms, which is vital for a better understanding and control of the mass transfer of HOCs in the biodegradation process. In summary, surfactants affect the microbiological interfacial behaviors of HOCs during three consecutive processes: the soil solution-microorganism sorption, the transmembrane process, and the intracellular metabolism. Surfactant could promote cell sorption of HOCs depending on the compatibility of surfactant hydrophile hydrophilic balance (HLB) with cell surface properties; while the dose ratio between surfactant and biologic mass (membrane lipids) determined the transmembrane processes. Although surfactants cannot easily directly affect the intracellular enzymatic metabolism of HOCs due to the steric hindrace, the presence of surfactants can indirectly enhanced the metabolism by increasing the substrate concentrations.

关键词： biodegradation     sorption     transmembrane transport     microbiological interfaces     surfactants    

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A state-of-the-art review on interfacial behavior between asphalt binder and mineral aggregate

Meng GUO, Yiqiu TAN, Linbing WANG, Yue HOU

《结构与土木工程前沿（英文）》 2018年 第12卷 第2期   页码 248-259 doi: 10.1007/s11709-017-0422-x

摘要： The interface between asphalt binder and mineral aggregate directly affects the service life of pavement because the defects and stress concentration occur more easily there. The interaction between asphalt binder and mineral aggregate is the main cause of forming the interface. This paper presents an extensive review on the test technologies and analysis methods of interfacial interaction, including molecular dynamics simulation, phase field approach, absorption tests, rheological methods and macro mechanical tests. All of the studies conducted on this topic clearly indicated that the interfacial interaction between asphalt binder and mineral aggregate is a physical-chemical process, and can be qualitatively characterized by microscopical technique (such as SEM and AFM), and also can be quantitatively evaluated by rheological methods and interfacial mechanical tests. Molecular dynamics simulation and phase field approach were also demonstrated to be effective methods to study the interfacial behavior and its mechanism.

关键词： Asphalt binder     Mineral aggregate     Interfacial behavior     Multiscale    

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Simulation of interfacial Marangoni convection in gas-liquid mass transfer by lattice Boltzmann method

Shuyong CHEN, Xigang YUAN, Bo FU, Kuotsung YU

《化学科学与工程前沿（英文）》 2011年 第5卷 第4期   页码 448-454 doi: 10.1007/s11705-011-1142-8

摘要： Interfacial Marangoni convection has significant effect on gas-liquid and/or liquid-liquid mass transfer processes. In this paper, an approach based on lattice Boltzmann method is established and two perturbation models, fixed perturbation model and self-renewable interface model, are proposed for the simulation of interfacial Marangoni convection in gas-liquid mass transfer process. The simulation results show that the concentration contours are well consistent with the typical roll cell convection patterns obtained experimentally in previous studies.

关键词： interfacial Marangoni convection     lattice Boltzmann method     gas-liquid mass transfer    

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Study on the interfacial shear behavior of steel reinforced concrete (SRC) members with stud connectors

Zihua ZHANG,Junhua LI,Lei ZHANG,Kai YU

《结构与土木工程前沿（英文）》 2014年 第8卷 第2期   页码 140-150 doi: 10.1007/s11709-014-0250-1

摘要： Statically push-out tests of 20 steel reinforced concrete short columns (SRCSC) with stud connectors on the surface of shape steel after fire and two SRCSC under ambient temperature were carried out, in order to study the failure mode, load-slip relationship and the interfacial shear transfer of SRC members after fire. Experimental results show that the typical failure modes and load-slip curves of SRCSC after fire are almost the same as the case under ambient temperature. The interfacial shear transfer of SRCSC declines exponentially not only with the increase of the peak temperature the specimen experienced but also with the increase of the peak temperature duration. The interfacial shear transfer of the specimens with studs arranged at the steel web is much higher than those with studs arranged at the steel flange. Empirical formulas of SRCSC interfacial shear transfer after fire are proposed, and the calculated results generally agree well with the experimental results.

关键词： steel reinforced concrete (SRC)     short column     stud connector     after fire     interfacial shear transfer    

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The effect of altering crosslinker chemistry during interfacial polymerization on the performance of

《化学科学与工程前沿（英文）》 2023年 第17卷 第12期   页码 2025-2036 doi: 10.1007/s11705-023-2356-2

摘要： Chemistry of the polyamide active layer of a desalination membrane is critical in determining both its physical and chemical properties. In this study, we designed and fabricated three novel membranes with different active layers using the crosslinkers: terephthaloyl chloride, isophthaloyl chloride, and trimesoyl chloride. The crosslinkers were reacted with an aqueous solution of an aliphatic tetra-amine. Because these crosslinkers differ in their structures and crosslinking mechanisms during interfacial polymerization, the resultant membranes also possess different structural properties. The water contact angle of the fabricated membranes also varies; the water contact angles of 4A-3P-TPC@PSF/PET, 4A-3P-TMC@PSF/PET, and 4A-3P-IPC@PSF/PET, are 68.9°, 65.6°, and 53.9°, respectively. Similarly, the desalination performance of resultant membranes also showed variations, with 4A-3P-TPC@PSF/PET, 4A-3P-IPC@PSF/PET, and 4A-3P-TMC@PSF/PET having a permeate flux of 17.14, 25.70, and 30.90 L·m−2·h−1, respectively, at 2.5 MPa. The 4A-3P-TPC@PSF/PET membrane exhibited extensive crosslinking with aliphatic linear amine, and cationic dye rhodamine B, MgCl2, and amitriptyline rejection rates of 98.6%, 92.7% and 80.9%, respectively. The 4A-3P-TMC@PSF/PET membrane showed mediocre performance, while 4A-3P-IPC@PSF/PET membrane showed even lower performance, with a 35% rejection of methyl orange dye.

关键词： acid chlorides     covalent crosslinking     desalination     linear aliphatic amine     micropollutant removal     thin film composite membranes    

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Characterization of the surface and interfacial properties of the lamina splendens

Joe T. REXWINKLE, Heather K. HUNT, Ferris M. PFEIFFER

《机械工程前沿（英文）》 2017年 第12卷 第2期   页码 234-252 doi: 10.1007/s11465-017-0409-2

摘要：

Joint disease affects approximately 52.5 million patients in the United States alone, costing 80.8 billion USD in direct healthcare costs. The development of treatment programs for joint disease and trauma requires accurate assessment of articular cartilage degradation. The articular cartilage is the interfacial tissue between articulating surfaces, such as bones, and acts as low-friction interfaces. Damage to the lamina splendens, which is the articular cartilage’s topmost layer, is an early indicator of joint degradation caused by injury or disease. By gaining comprehensive knowledge on the lamina splendens, particularly its structure and interfacial properties, researchers could enhance the accuracy of human and animal biomechanical models, as well as develop appropriate biomimetic materials for replacing damaged articular cartilage, thereby leading to rational treatment programs for joint disease and injury. Previous studies that utilize light, electron, and force microscopy techniques have found that the lamina splendens is composed of collagen fibers oriented parallel to the cartilage surface and encased in a proteoglycan matrix. Such orientation maximizes wear resistance and proteoglycan retention while promoting the passage of nutrients and synovial fluid. Although the structure of the lamina splendens has been explored in the literature, the low-friction interface of this tissue remains only partially characterized. Various functional models are currently available for the interface, such as pure boundary lubrication, thin films exuded under pressure, and sheets of trapped proteins. Recent studies suggest that each of these lubrication models has certain advantages over one another. Further research is needed to fully model the interface of this tissue. In this review, we summarize the methods for characterizing the lamina splendens and the results of each method. This paper aims to serve as a resource for existing studies to date and a roadmap of the investigations needed to gain further insight into the lamina splendens and the progression of joint disease.

关键词： cartilage     lamina splendens     characterization     biomechanics     orthopaedic     review    

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Atomistic understanding of interfacial processing mechanism of silicon in water environment: A ReaxFF

《机械工程前沿（英文）》 2021年 第16卷 第3期   页码 570-579 doi: 10.1007/s11465-021-0642-6

摘要： The interfacial wear between silicon and amorphous silica in water environment is critical in numerous applications. However, the understanding regarding the micro dynamic process is still unclear due to the limitations of apparatus. Herein, reactive force field simulations are utilized to study the interfacial process between silicon and amorphous silica in water environment, exploring the removal and damage mechanism caused by pressure, velocity, and humidity. Moreover, the reasons for high removal rate under high pressure and high velocity are elucidated from an atomic perspective. Simulation results show that the substrate is highly passivated under high humidity, and the passivation layer could alleviate the contact between the abrasive and the substrate, thus reducing the damage and wear. In addition to more Si-O-Si bridge bonds formed between the abrasive and the substrate, new removal pathways such as multibridge bonds and chain removal appear under high pressure, which cause higher removal rate and severer damage. At a higher velocity, the abrasive can induce extended tribochemical reactions and form more interfacial Si-O-Si bridge bonds, hence increasing removal rate. These results reveal the internal cause of the discrepancy in damage and removal rate under different conditions from an atomic level.

关键词： silicon     ReaxFF     molecular dynamics     friction     damage    

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Reactive power compensation of an isolated hybrid power system with load interaction using ANFIS tuned

Nitin SAXENA,Ashwani KUMAR

《能源前沿（英文）》 2014年 第8卷 第2期   页码 261-268 doi: 10.1007/s11708-014-0298-6

摘要： This paper presents an adaptive neuro fuzzy interference system (ANFIS) based approach to tune the parameters of the static synchronous compensator (STATCOM) with frequent disturbances in load model and power input of a wind-diesel based isolated hybrid power system (IHPS). In literature, proportional integral (PI) based controller constants are optimized for voltage stability in hybrid systems due to the interaction of load disturbances and input power disturbances. These conventional controlling techniques use the integral square error (ISE) criterion with an open loop load model. An ANFIS tuned constants of a STATCOM controller for controlling the reactive power requirement to stabilize the voltage variation is proposed in the paper. Moreover, the interaction between the load and the isolated power system is developed in terms of closed loop load interaction with the system. Furthermore, a comparison of transient responses of IHPS is also presented when the system has only the STATCOM and the static compensation requirement of the induction generator is fulfilled by the fixed capacitor, dynamic compensation requirement, meanwhile, is fulfilled by STATCOM. The model is tested for a 1% step increase in reactive power load demand at = 0 s and then a sudden change of 3% from the 1% at = 0.01 s for a 1% step increase in power input at variable wind speed model.

关键词： isolated wind-diesel power system     adaptive neuro fuzzy interference system (ANFIS)     integral square error (ISE) criterion     load interaction    

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标题 作者 时间 类型 操作

Interfacial potential barrier theory of friction and wear

XU Zhongming, DING Lingyun, HUANG Ping, XU Zhongming

期刊论文

Erratum to "Probing the Interfacial Forces and Surface Interaction Mechanisms in Petroleum Production

Diling Yang,Xuwen Peng,Qiongyao Peng,Tao Wang,Chenyu Qiao,Ziqian Zhao,Lu Gong,Yueliang Liu,Hao Zhang,Hongbo Zeng

期刊论文

Development, applications and challenges of ReaxFF reactive force field in molecular simulations

You Han, Dandan Jiang, Jinli Zhang, Wei Li, Zhongxue Gan, Junjie Gu

期刊论文

The effects of interfacial strength on fractured microcapsule

Luthfi Muhammad MAULUDIN, Chahmi OUCIF

期刊论文

Construction of interfacial dynamic bonds for high performance lignin/polymer biocomposites

期刊论文

Studies on the liquid-liquid interfacial mass transfer process using holographic interferometry

ZHAO Chaofan, ZHU Chunying, MA Youguang

期刊论文

Interfacial induction and regulation for microscale crystallization process: a critical review

期刊论文

Controlling microbiological interfacial behaviors of hydrophobic organic compounds by surfactants in

ZHANG Dong,ZHU Lizhong

期刊论文

A state-of-the-art review on interfacial behavior between asphalt binder and mineral aggregate

Meng GUO, Yiqiu TAN, Linbing WANG, Yue HOU

期刊论文

Simulation of interfacial Marangoni convection in gas-liquid mass transfer by lattice Boltzmann method

Shuyong CHEN, Xigang YUAN, Bo FU, Kuotsung YU

期刊论文

Study on the interfacial shear behavior of steel reinforced concrete (SRC) members with stud connectors

Zihua ZHANG,Junhua LI,Lei ZHANG,Kai YU

期刊论文

The effect of altering crosslinker chemistry during interfacial polymerization on the performance of

期刊论文

Characterization of the surface and interfacial properties of the lamina splendens

Joe T. REXWINKLE, Heather K. HUNT, Ferris M. PFEIFFER

期刊论文

Atomistic understanding of interfacial processing mechanism of silicon in water environment: A ReaxFF

期刊论文

Reactive power compensation of an isolated hybrid power system with load interaction using ANFIS tuned

Nitin SAXENA,Ashwani KUMAR

期刊论文