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Impact of chosen force fields and applied load on thin film lubrication

Friction 2021年第5期9卷 1259-1274页

作者： thi d.ta Hien d.ta Kiet A.TIEU Bach H.TRAN School of Mechanical MaterialsMechatronicsand Biomedical EngineeringUniversity of WollongongNSW 2522Australia Ho Chi Minh City University of Technology and Education Ho Chi Minh City 800010Vietnam

The rapid development of molecular dynamics(Md)simulations,as well as classical and reactive atomic potentials,has enabled tribologists to gain new insights into lubrication performance at the fundamental ***,the impact of adopted potentials on the rheological properties and tribological performance of hydrocarbons has not been researched *** extensive study analyzed the effects of surface structure,applied load,and force field(FF)on the thin film lubrication of *** lubricant film became more solid‐like as the applied load *** particular,with increasing applied load,there was an increase in the velocity slip,shear viscosity,and *** degree of ordering structure also changed with the applied load but rather *** was also significantly dependent on the surface *** chosen FFs significantly influenced the lubrication performance,rheological properties,and molecular *** adaptive intermolecular reactive empirical bond order(AIREBO)potential resulted in more significant liquid‐like behaviors,and the smallest velocity slip,degree of ordering structure,and shear stress were compared using the optimized potential for liquid simulations of united atoms(OPLS‐UAs),condensed‐phase optimized molecular potential for atomic simulation studies(COMPASS),and ***,classical potentials,such as OPLS‐UA and COMPASS,exhibit more solid‐like behavior than reactive potentials ***,owing to the solid‐like behavior,the lubricant temperatures obtained from OPLS‐UA and COMPASS were much lower than those obtained from AIREBO and *** increase in shear stress,as well as the decrease in velocity slip with an increase in the surface potential parameterζ,remained conserved for all chosen FFs,thus indicating that the proposed surface potential parameterζfor the COMPASS FF can be verified for a wide range of atomic models.

关键词： molecular dynamics simulation force fields applied load tribofilm hydrocarbon

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Compensation of Zn substitution and secondary phase controls effective mass and weighted mobility in In and Ga co-doped ZnO material

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Journal of Materiomics 2021年第4期7卷 742-755页

作者： Oanh Kieu Truong Le Anh Tuan Thanh Pham Ngoc Kim Pham Trang Huyen Cao Pham Truong Huu Nguyen dung Van Hoang Hanh Kieu thi ta dai Cao Truong Hoa thi Lai Thuy dieu thi Ung Vinh Cao Tran Thang Bach Phan aboratory of Advanced Materials University of ScienceHoChiMinh City700000Viet Nam Vietnam National University HoChiMinh City700000Viet Nam Faculty of Physics and Engineering Physics University of ScienceHoChiMinh City700000Viet Nam Faculty of Materials Science and Technology University of ScienceHoChiMinh City700000Viet Nam Center for Innovative Materials and Architectures(INOMAR) HoChiMinh CityViet Nam Institute of Materials Science Vietnam Academy of Science and TechnologyHanoi100000Viet Nam

Conductivity s and thermal conductivity k are directly related to carrier concentration while Seebeck coefficient S is inversely proportional to carrier ***,improving thermoelectric(TE)performance is ***,the first-time analysis of secondary phase-controlled TE performance in terms of density-of-state effective mass m*d,weighted mobility mw and quality factor B is discussed in ZnO *** results show that the secondary spinel phase Ga2O_(3)(ZnO)9 not only impacts on k but also on s and S at high temperature,while the effect of carrier concentration seem to be dominant at low *** the high-spinel-segregation sample,a compensation of dopant atoms from the spinel to substitutional sites in the ZnO matrix at high temperature leads to a low decreased rate of temperaturedependent m**** compensation process also induces a band sharpening,a small mw reduction,and a large B *** a result,In and Ga co-doped ZnO bulk with the highest spinel segregation achieves the greatest PF improvement by 112.8%,owing to enhanced Seebeck coefficient by 110%as compared to the good Zn-substitution sample.

关键词： Thermoelectrics In and Ga co-doped ZnO Secondary phase Zn substitution dOS effective Mass Weighted mobility

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dynamic behavior of stormwater quality parameters in South Texas

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Frontiers of Environmental Science & Engineering 2012年第6期6卷 825-830页

作者： Xubin PAN Jingyi ZHANG Wei-ta FANG Kim d.JONES Institute of Plant Quarantine Chinese Academy of Inspection and QuarantineBeijing 100029China department of Environmental Engineering Texas A&M University-KingsvilleKingsvilleTX 78363USA Graduate Institute of Environmental Education Taiwan Normal UniversityTaipei 116China

To control water impairment in urban storm- water, it is important to evaluate changing patterns of water quality parameters in stormwater runoff. Thus, the authors performed a series of experiments to investigate the dynamics of common water parameters during storm events in semi-arid areas, with multiple samples collected and analyzed in field stormwater applications. At this field monitoring site within McAuliffe Park, McAllen, Texas, in the United States, a storm event increased the concentra- tions of Escherichia coli （E. coli）, but this event represented a decreasing trend over the entire event period. Besides, peak intensity of different pollutants in the stormwater runoff occurred at different times other than at any peak flows, representing a complexity of the temporal and spatial measurements. Multi-sample per- event approaches recommended based on the complexity of the hydrograph and different peak intensity times of pollutants. In addition, high bacteria and total suspended solids （TSS） concentrations in the initial stage of the storm event should be considered when designing Best Manage- ment Practices （BMPs） and Low Impact developments （LIds）. New strategies and solutions for addressing ecohydrological challenges should be proposed to avoid collateral damages to their both common wealth in ecosystems and human well-beings.

关键词： event mean concentration first flush multi-sample per event ecohydrology

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Advances in haemostatic sponges: Characteristics and the underlying mechanisms for rapid haemostasis

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Bioactive Materials 2023年第9期27卷 231-256页

作者： Akriti Nepal Huong d.N.Tran Nam-Trung Nguyen Hang Thu ta Queensland Micro-and Nanotechnology Centre Griffith UniversityNathanQueensland4111Australia Australian Institute for Bioengineering and Nanotechnology University of QueenslandSt LuciaQueensland4072Australia Bioscience discipline School of Environment and ScienceGriffith UniversityNathanQueensland4111Australia

In traumatized patients, the primary cause of mortality is uncontrollable continuous bleeding and unexpected intraoperative bleeding which is likely to increase the risk of complications and surgical failure. High expansion sponges are effective clinical practice for the treatment of wound bleeding (irregular/deep/narrow) that are caused by capillaries, veins and even arterioles as they possess a high liquid absorption ratio so can absorb blood platelets easily in comparison with traditional haemostasis treatments, which involve compression, ligation, or electrical coagulation etc. When in contact with blood, haemostatic sponges can cause platelet adhesion, aggregation, and thrombosis, preventing blood from flowing out from wounds, triggering the release of coagulation factors, causing the blood to form a stable polymerized fibre protein, forming blood clots, and achieving the goal of wound bleeding control. Haemostatic sponges are found in a variety of shapes and sizes. The aim of this review is to facilitate an overview of recent research around haemostatic sponge materials, products, and technology. this paper reviews the synthesis, properties, and characteristics of haemostatic sponges, together with the haemostasis mechanisms of haemostatic sponges (composite materials), such as chitosan, cellulose, gelatin, starch, graphene oxide, hyaluronic acid, alginate, polyethylene glycol, silk fibroin, synthetic polymers silver nanoparticles, zinc oxide nanoparticles, mesoporous silica nanoparticles, and silica nanoparticles. Also, this paper reviews commercial sponges and their properties. In addition to this, we discuss various in-vitro/in-vivo approaches for the evaluation of the effect of sponges on haemostasis .

关键词： Haemostatic sponge Characteristics Mechanism Haemostasis Nanoparticles

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Unit-cell design for two-dimensional phase-field simulation of microstructure evolution in single-crystal Ni-based superalloys during solidification

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Progress in Natural Science:Materials International 2017年第6期27卷 678-686页

作者： dongjia Cao Na ta Lijun Zhang State Key Lab of Powder Metallurgy Central South University Interdisciplinary Centre for Advanced Materials Simulation (ICAMS) Ruhr-University Bochum

Phase-field simulation serves as an effective tool for quantitative characterization of microstructure evolution in single-crystal Ni-based superalloys during solidification nowadays. The classic unit cell is either limited to γdendrites along crystal orientation or too ideal to cover complex morphologies for γ dendrites. An attempt to design the unit cell for two-dimensional(2-d) phase-field simulations of microstructure evolution in single-crystal Ni-based superalloys during solidification was thus performed by using the MICRESS(MICRostructure Evolution Simulation Software) in the framework of the multi-phase-field(MPF) model,and demonstrated in a commercial TMS-113 superalloy. The coupling to CALPHAd(CALculation of PHAse diagram) thermodynamic d.tabase was realized via the TQ interface and the experimental diffusion coefficients were utilized in the simulation. Firstly, the classic unit cell with a single γ dendrite along crystal orientation was employed for the phase-field simulation in order to reproduce the microstructure ***, such simple unit cell was extended into the cases with two other different crystal orientations, i.e., and . thirdly, for crystal orientations, the effect of γ dendritic orientations and unit cell sizes on microstructure and microsegregation was comprehensively studied, from which a new unit cell with multiple γdendrites was proposed. The phase-field simulation with the newly proposed unit cell was further performed in the TMS-113 superalloy, and the microstructure features including the competitive growth of γ dendrites,microsegregation of different solutes and distribution of γ′ grains, can be nicely reproduced.

关键词： Ni-based superalloys Solidification Microstructure Phase-field simulation Unit cell

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Soil Respiration, Microbial Biomass and Nutrient Availability in Soil After Addition of Residues with Adjusted N and P Concentrations

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Pedosphere 2017年第1期27卷 76-85页

作者： Trung ta NGUYEN Petra MARSCHNER School of Agriculture Food and Wine The University of Adelaide Adelaide 5005 (Australia)

Microbial activity and nutrient release are known to be influenced by organic matter properties,but it is difficult to separate the effect of C/N ratio from that of C/P ratio because in most plant residues both ratios are either high or *** incubation experiment was conducted to investigate the effects of reducing the C/N and C/P ratios of slowly decomposable plant residues(young eucalyptus leaves,mature wheat straw,and sawdust) to those of rapidly decomposable residues(young kikuyu shoots) on soil respiration,microbial biomass,and N and P *** C/N and C/P ratios of the former were adjusted to 15 and 89,respectively,by adding N as(NH_4)_2SO_4,P as KH_2PO_4 or both and residues were added at 10 g C kg-1 to a silt *** respiration was measured over21 d;microbial biomass C(MBC) and available N and P were measured on days 0,7,and *** to the unamended soil,addition of kikuyu increased cumulative respiration 20-fold,MBC concentration 4 to 8-fold,and available P concentration up to4-fold,whereas the increase in available N concentration was small and *** respiration and MBC concentration were low in the sawdust-amended soil and were not influenced by reducing the C/N and C/P *** respiration with original wheat and eucalyptus was 30%-40%of that with *** the C/N ratio alone or both C/N and C/P ratios increased cumulative respiration and MBC concentration 2-fold compared to the original wheat and eucalyptus,whereas reducing the C/P ratio had little *** the experiment,the available N concentration after addition of residues with reduced C/N ratio increased in the following order of eucalyptus dependently lowering the C/N and C/P ratios,microbial activity was more limited by C and N than ***,lowering the C/N ratio of very slowly decomposable sawdust had no effect on soil respiration and MBC concentration,suggesting that other properties such as concentration of poor

关键词： C/N ratio C/P ratio microbial activity nutrient immobilisation nutrient mineralisation

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留学生现代汉语语气副词“太”、“真”、“可”习得研究

留学生现代汉语语气副词“太”、“真”、“可”习得研究

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作者： ta，thi THU HOAI（谢氏秋怀）华中师范大学

学位级别：硕士

语气副词在汉语词汇系统中占有重要位置,而且由于本身的特殊性,它们也一直是对外汉语教学的重难点之一。在汉语的使用中语气副词的出现频率非常高,其中“太”、“真”、“可”三个语气副词具有很强的交际价值。就非汉语母语学习者而言,... 详细信息

语气副词在汉语词汇系统中占有重要位置,而且由于本身的特殊性,它们也一直是对外汉语教学的重难点之一。在汉语的使用中语气副词的出现频率非常高,其中“太”、“真”、“可”三个语气副词具有很强的交际价值。就非汉语母语学习者而言,“太”、“真”、“可”是他们必须要掌握的三个语气副词之一,但在习得和使用过程中仍发生偏误情况。目前,“太”、“真”、“可”在本体研究成果颇丰,但在对外汉语教学的研究却不多。基于这一点,本文通过HSK动态作文语料库着重对留学生“太”、“真”、“可”使用偏误情况进行探究,分析偏误原因,并在此基础上对“太”、“真”、“可”在对外汉语教学中提出一些教学建议。本文先借助北京语言大学现代汉语语料库（BCC语料库）当中的相关语料,对语气副词“太”、“真”、“可”的语义、句法和语用特征进行对比分析,以突出三者在各平面的差异,为学习者提供一个易于辨别三者的基本依据。其次,以北京语言大学HSK动态作文语料库的语料为研究依托,分别对“太”、“真”、“可”使用偏误进行考察、整理,从而归纳、总结偏误类型并对偏误例句加以详细的分析和修改,以帮助留学生走出误区。最后,探讨、分析留学生汉语语气副词“太”、“真”、“可”偏误产生的原因,并面对留学生对“太”、“真”、“可”所产生的偏误类型及原因,提出了一些教学建议,力求帮助留学生更好地理解和掌握“太”、“真”、“可”的用法,避免发生偏误情况。

关键词：语气副词太真可偏误类型偏误原因教学建议

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Chalcogen heteroatoms doped nickel-nitrogen-carbon single-atom catalysts with asymmetric coordination for efficient electrochemical CO_(2) reduction

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Chinese Journal of Catalysis 2024年第9期64卷 54-65页

作者： Jialin Wang Kaini Zhang ta thi Thuy Ng Yiqing Wang Yuchuan Shi daixing Wei Chung-Li dong Shaohua Shen International Research Center for Renewable Energy State Key Laboratory of Multiphase Flow in Power EngineeringXi'an Jiaotong UniversityXi'an 710049ShaanxiChina department of Physics Tamkang UniversityNew Taipei City 25137TaiwanChina

The electronic configuration of central metal atoms in single-atom catalysts(SACs)is pivotal in electrochemical CO_(2) reduction reaction(eCO_(2)RR).Herein,chalcogen heteroatoms(e.g.,S,Se,and Te)were incorporated into the symmetric nickel-nitrogen-carbon(Ni-N_(4)-C)configuration to obtain Ni-X-N_(3)-C(X:S,Se,and Te)SACs with asymmetric coordination presented for central Ni *** these obtained Ni-X-N_(3)-C(X:S,Se,and Te)SACs,Ni-Se-N_(3)-C exhibited superior eCO_(2)RR activity,with CO selectivity reaching~98% at-0.70 V versus reversible hydrogen electrode(RHE).The Zn-CO_(2) battery integrated with Ni-Se-N_(3)-C as cathode and Zn foil as anode achieved a peak power density of 1.82 mW cm^(-2) and maintained remarkable rechargeable stability over 20 ***-situ spectral investigations and theoretical calculations demonstrated that the chalcogen heteroatoms doped into the Ni-N_(4)-C configuration would break coordination symmetry and trigger charge redistribution,and then regulate the intermediate behaviors and thermodynamic reaction pathways for eCO_(2)***,for Ni-Se-N_(3)-C,the introduced Se atoms could significantly raise the d-band center of central Ni atoms and thus remarkably lower the energy barrier for the rate-determining step of ^(*)COOH formation,contributing to the promising eCO_(2)RR performance for high selectivity CO production by competing with hydrogen evolution reaction.

关键词： Electrochemical CO_(2) reduction reaction Chalcogen heteroatoms Single-atom catalysts Asymmetric coordination CO production

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Bottomonium Spectrum with Screened Potential

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Communications in Theoretical Physics 2009年第10期52卷 653-661页

作者： LI Bai-Qing CHAO Kuang-ta department of Physics and State Key Laboratory of Nuclear Physics and Technology Peking University Beijing 100871 China department of Physics Huzhou Teachers College Huzhou 313000 China

As a sister work of[Phys. Rev. d 79 （2009） 094004], we incorporate the color-screening effect due to light quark pair creation into the heavy quark-antiquark potential, and investigate the effects of screened potential on the spectrum of bottomonimn. We calculate the masses, electromagnetic decays, and E1 transitions of bottomonium states. We find that the fine splittings between χbJ （J = 0, 1, 2） states are in good agreement with experimental d.ta, and the E1 transition rates of γ（2S） → γχbJ（1P） and γ（3S） →γχbJ（2P）（J = 0, 1, 2） all agree with d.ta within experimental errors. In particular, the mass of γ（6S） is lowered down to match that of the γ（11020）, which is smaller than the predictions of the linear potential models by more than 100 MeV. Comparison between charmonium and bottomonium in some related problems is also discussed.

关键词： color-screening effect Bottomonium

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Polyacrylate modified Cu electrode for selective electrochemical CO_(2) reduction towards multicarbon products

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Science Bulletin 2024年第15期69卷 2395-2404页

作者： Yuchuan Shi Kaini Zhang Chung-Li dong ta thi Thuy Nga Miao Wang daixing Wei Jialin Wang Yiqing Wang Shaohua Shen International Research Center for Renewable Energy State Key Laboratory of Multiphase Flow in Power EngineeringXi’an Jiaotong UniversityXi’an 710049China department of Physics Tamkang UniversityNew Taipei City 25137China

Highly selective production of value-added multicarbon(C^(2+))products via electrochemical CO_(2) reduction reaction(eCO_(2)RR)on polycrystalline copper(Cu)remains ***,the facile surface modification using poly(α-ethyl cyanoacrylate)(PECA)is presented to greatly enhance the C^(2+)selectivity for eCO_(2)RR over polycrystalline Cu,with Faradaic efficiency(FE)towards C^(2+)products increased from30.1%for the Cu electrode to 72.6%for the obtained Cu-PECA electrode at-1.1 V *** hydrogen electrode(RHE).Given the well-determined FEs towards C^(2+)products,the partial current densities for C^(2+)production could be estimated to be-145.4 mA cm~(-2)for the Cu-PECA electrode at-0.9 V *** in a homemade flow ***-situ spectral characterizations and theoretical calculations reveal that PECA featured with electron-accepting-C≡N and-COOR groups decorated onto the Cu electrode could inhibit the adsorption of^(*)H intermediates and stabilize the^(*)CO intermediates,given the redistributed interfacial electron density and the raised energy level of d-band center(E_(d))of Cu active sites,thus facilitating the C-C coupling and then the C^(2+)selective *** study is believed to be guidable to the modification of electrocatalysts and electrodes with polymers to steer the surface adsorption behaviors of reaction intermediates to realize practical eCO_(2)RR towards value-added C^(2+)products with high activity and selectivity.

关键词： Electrochemical CO_(2)reduction Polymer modification Electron transfer C_(2+)products

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