碳纤维形貌结构对其电化学氧化行为及其复合材料界面性能的影响

通过调控原丝工艺,制备得到形貌结构不同、力学性能相近的PAN基碳纤维(CF),用以模拟碳纤维表面光滑与沟槽结构对其电化学氧化行为的影响。研究表明:原始形貌光滑碳纤维在电化学过程中保持形貌能力较强,相同的电化学氧化强度下,其表面氧碳比高于原始表面粗糙的碳纤维,表明其氧化程度高。X射线光电子能谱(XPS)分峰结果表明,二者表面氧含量差别来自于表面羰基含量的差异。力学性能测试结果表明具有沟槽形貌的碳纤维拉伸强度及拉伸模量提高的幅度较大,其中拉伸强度提高最大值为17.3%。将氧化前后的碳纤维制备成碳纤维增强树脂基复合材料,探讨碳纤维形貌结构对其复合材料界面性能的影响。结果表明:由具有沟槽形貌的碳纤维制备得到的复合材料层间剪切强度(ILSS)较高,表明碳纤维表面物理形貌也是影响复合材料界面的重要因素。     

Mechanistic Understanding of Protein Corona Formation around Nanoparticles: Old Puzzles and New Insights

Although a wide variety of nanoparticles (NPs) have been engineered for use as disease markers or drug delivery agents, the number of nanomedicines in clinical use has hitherto remained small. A key obstacle in nanomedicine development is the lack of a deep mechanistic understanding of NP interactions in the bio-environment. Here, the focus is on the biomolecular adsorption layer (protein corona), which quickly enshrouds a pristine NP exposed to a biofluid and modifies the way the NP interacts with the bio-environment. After a brief introduction of NPs for nanomedicine, proteins, and their mutual interactions, research aimed at addressing fundamental properties of the protein corona, specifically its mono-/multilayer structure, reversibility and irreversibility, time dependence, as well as its role in NP agglomeration, is critically reviewed. It becomes quite evident that the knowledge of the protein corona is still fragmented, and conflicting results on fundamental issues call for further mechanistic studies. The article concludes with a discussion of future research directions that should be taken to advance the understanding of the protein corona around NPs. This knowledge will provide NP developers with the predictive power to account for these interactions in the design of efficacious nanomedicines.     

The Role of Temperature and Lipid Charge on Intake/Uptake of Cationic Gold Nanoparticles into Lipid Bilayers

Understanding the molecular mechanisms governing nanoparticle–membrane interactions is of prime importance for drug delivery and biomedical applications. Neutron reflectometry (NR) experiments are combined with atomistic and coarse‐grained molecular dynamics (MD) simulations to study the interaction between cationic gold nanoparticles (AuNPs) and model lipid membranes composed of a mixture of zwitterionic di‐stearoyl‐phosphatidylcholine (DSPC) and anionic di‐stearoyl‐phosphatidylglycerol (DSPG). MD simulations show that the interaction between AuNPs and a pure DSPC lipid bilayer is modulated by a free energy barrier. This can be overcome by increasing temperature, which promotes an irreversible AuNP incorporation into the lipid bilayer. NR experiments confirm the encapsulation of the AuNPs within the lipid bilayer at temperatures around 55 °C. In contrast, the AuNP adsorption is weak and impaired by heating for a DSPC–DSPG (3:1) lipid bilayer. These results demonstrate that both the lipid charge and the temperature play pivotal roles in AuNP–membrane interactions. Furthermore, NR experiments indicate that the (negative) DSPG lipids are associated with lipid extraction upon AuNP adsorption, which is confirmed by coarse‐grained MD simulations as a lipid‐crawling effect driving further AuNP aggregation. Overall, the obtained detailed molecular view of the interaction mechanisms sheds light on AuNP incorporation and membrane destabilization.     

Influence of thermal oxidation on the interfacial properties of ultrathin strained silicon layers

In this work we examine the influence of thermal oxidation on the electrical characteristics of ultra-thin strained silicon layers grown on relaxed Si_0.78Ge_0.22 substrates under moderate to high thermal budget conditions in N₂O ambient at 800 °C. The results reveal the presence of a large density of interfacial traps which depends on the oxidation process. As long as the strained silicon layer remains between the growing oxide and the underlying Si_0.78Ge_0.22 layer, the density of interface traps increases with increasing oxidation time. When the oxidation process consumes the s-Si layer the interface state density undergoes a significant reduction of the order of 40%. This experimental evidence signifies that the strained silicon-Si_0.78Ge_0.22 interface is a major source of the measured interfacial defects. This situation can be detected only when the front SiO₂-strained silicon interface and the rear strained silicon-Si_0.78Ge_0.22 interface are in close proximity, i.e. within a distance of 5 nm or less. Finally, the influence of the material quality deterioration—as a result of the thermal treatment—to the interfacial properties of the structure is discussed.     

Modelling the role of size, edge structure and terminations on the electronic properties of trigonal graphene nanoflakes

Graphene nanoflakes provide a range of opportunities for engineering graphene for future applications, due to the large number of configurational degrees of freedom associated with the addition of different types of corners and edge states in the structure. Since these materials can, in principle, span the molecular to macroscale dimensions, the electronic properties may also be discrete or continuous, depending on the application in mind. However, since the widespread use of graphene nanoflakes will require them to be predictable, stable and robust against variations associated with some degree of structural polydispersivity, the development of a complete understanding of the relationship between structure, properties and property dispersion is essential. In this paper we used electronic structure computer simulations to model the thermodynamic, mechanical and electronic properties of trigonal graphene nanoflakes with acute (highly reactive) corners. We find that these acute corners introduce new features that are different to the obtuse corners characteristic of hexagonal graphene nanoflakes, as well as different electronic states in the vicinity of the Fermi level. The structure and properties are sensitive to size and functionalization, and may provide new insights into the engineering of graphene nanoflake components.     

Effect of interfacial structure on the transistor properties: probing the role of surface modification of gate dielectrics with self-assembled monolayer using organic single-crystal field-effect transistors

Single-crystal field-effect transistors based on 2,3-dimethylpentacene have been used to probe the effect of surface modification of the insulating dielectric SiO(2) layer on the transistor characteristics. Self-assembled monolayers (SAMs) of different chain lengths and functional groups were used to systematically modify the structure and property of the semiconductor/dielectric interface. The charge carrier mobility as a function of SAM used for surface modification was analyzed. The character of the terminal functional group, as well as the mechanic treatment (rubbing) of the monolayer, much influences the carrier mobility. Introduction of a polar end group (donor or acceptor type) decreases the mobility compared to a nonpolar end group. Prerubbing of the monolayer serves to increase the charge carrier mobility by a factor of 2-4-fold. The results are interpreted in terms of the orderliness of the monolayer which affects the contact at the monolayer/semiconductor interface, which in turn affects the trapping sites' density or the smoothness of the potential surface that the carriers experience while transporting along the interface.     

考虑界面效应的复合泡沫塑料弹性性能数值仿真预测与试验研究

通过对不同空心陶瓷微珠含量的环氧基复合泡沫塑料进行准静态拉伸实验,研究了填充微珠的体积分数对复合泡沫塑料弹性模量和泊松比的影响.基于其细观结构特征,利用三维立方单胞有限元模型模拟了细观应力/应变场;将内聚力单元引入细观有限元模型,以此来模拟空心微珠与基体材料之间界面相的力学行为.将有限元预测结果以及两种传统的细观解析法与实验数据对比,发现基于界面理想粘接假设的有限元模型和传统细观解析法均过高估计了复合泡沫塑料的弹性模量和泊松比;复合泡沫塑料的弹性性能强烈地依赖于界面相的力学性质,只有考虑界面效应的细观有限元模型才能给出较为精确的预测,从而验证了文中细观建模方法的合理性.     

吸波涂层界面结合机理(Ⅰ):涂层力学性能影响因素分析

基于一般涂层的界面结合机理及其应力模型,分析了不同方向应力对涂层剥落的影响,指出了吸波涂层与基体的界面结合机理是分子键结合和机械结合的综合,其剥落主要是由剥离应力和剪应力引起的;此外,还重点分析了吸收剂、粘结剂和偶联剂对吸波涂层力学性能的影响,指出了改善吸波涂层结合界面的可能途径.     

考虑界面效应的复合泡沫塑料弹性性能数值仿真预测与试验研究

通过对不同空心陶瓷微珠含量的环氧基复合泡沫塑料进行准静态拉伸实验, 研究了填充微珠的体积分数对复合泡沫塑料弹性模量和泊松比的影响。基于其细观结构特征, 利用三维立方单胞有限元模型模拟了细观应力/应变场; 将内聚力单元引入细观有限元模型, 以此来模拟空心微珠与基体材料之间界面相的力学行为。将有限元预测结果以及两种传统的细观解析法与实验数据对比, 发现基于界面理想粘接假设的有限元模型和传统细观解析法均过高估计了复合泡沫塑料的弹性模量和泊松比; 复合泡沫塑料的弹性性能强烈地依赖于界面相的力学性质, 只有考虑界面效应的细观有限元模型才能给出较为精确的预测, 从而验证了文中细观建模方法的合理性。     

热处理对碳纤维/聚酰胺6复合材料界面结晶及力学性能的影响

探究了热处理对聚酰胺6（PA6）在碳纤维（CF）表面的结晶行为及其界面力学性能的影响。利用差示扫描量热法（DSC）、偏光显微镜（POM）观察法等分析手段考察了热处理对PA6在CF表面结晶行为的影响,揭示了在热处理过程中,PA6进行链段重排,形成小且不完善的新结晶,导致结晶度的上升以及界面横晶形貌的完善;进一步通过单丝微球脱粘实验和单向CF/PA6复合材料横向拉伸实验考察了热处理对PA6与CF的界面结合性能的影响,揭示了经退火热处理的试样由于弱界面和应力集中的减少使界面剪切强度增加且单位体积断裂能下降。     

The role of interfacial interactions on the glass-transition and viscoelastic properties of silica/polystyrene nanocomposite

Filler surface properties and polymer-filler interactions have dominate influence on viscoelastic behavior of polymeric matrix composites. When the filler-filler spacing is on the order of the polymeric matrix molecular size, fillers may agglomerate through direct short-range interactions, also by overlapping of interfacial layers of neighboring fillers. In this work the effect of interfacial layer on the viscoelastic properties of silica/polystyrene composite was investigated.The Si/Ps nanocomposites were prepared by solution mixing method, and dynamic rheometry was employed to determine the viscoelastic behavior in the melt state. Experimental results show that, addition of silica nanoparticles to polystyrene matrix would increase the glass-transition temperature of polymer. This increasing will be accelerated by presence of nanoparticles with more filler-polymer adhesion energy, because of more interfacial layer volume fraction. It is helpful in evaluating the volume fraction and equivalent thickness of interfacial layer in polymer nanocomposites. Likewise it is shown that, the dynamic moduli of nanocomposite is enhanced associated with the increase in the glass-transition temperature. This study implies that the main source of increment in both dynamic modulus and glass-transition temperature of polymer nanocomposites is the presence of the immobilized interfacial layer and the secondary filler network.     

Study and improvement of interfacial properties in a MIS structure based on p-type InP

Indium phosphide is one of the most promising candidates among the available III-V semiconducting compounds for the development of MIS technology. This is based on the availability of InP substrates and the relatively large band gap. Before the deposition of the insulator, the InP surface must be treated and well passivated (Surf Interface Anal 20 (1993) 803; J Appl Phys 67 (1990) 4173). We have shown that a InSb buffer layer can reduce the phosphorus atom migration and the concentration of defects at the interface. We have studied and characterized electrically two series of substrates using p-type InP, the first one with thin and the second with thick insulator films. The results obtained show clearly the reduction of the defects in the thicker structures protected by the InSb buffer layer.     

硅烷偶联剂及氧化石墨烯二次改性对芳纶纤维界面性能的影响EI北大核心CSCD

为改善芳纶纤维(PPTA)与丁腈橡胶(NBR)复合材料之间的界面强度,采用硅烷偶联剂A172和氧化石墨烯(GO)对芳纶纤维表面进行接枝改性处理,并对处理前后的芳纶纤维进行化学结构、表面形貌及H抽出力分析。利用SEM对抽出纤维表面和橡胶基芳纶纤维复合材料截面进行微观结构分析。结果表明:硅烷偶联剂和氧化石墨烯对芳纶纤维进行二次表面改性后,纤维表面含氧基团增加,化学活性提高,处理后表面存在明显的表层附着物,纤维结构未发生明显损伤且表面粗糙度得到明显改善。每个处理阶段后H抽出力均有提高,且氧化石墨烯二次改性后的芳纶纤维H抽出力提高效果最佳,从18.192 MPa提高到48.748 MPa,芳纶纤维与丁腈橡胶的界面结合力得到了显著提升,从而证实了硅烷偶联剂和氧化石墨烯二次改性芳纶纤维的有效性,为橡胶基芳纶纤维复合材料性能的研究提供了参考。     

电气石对硅藻土基多孔陶瓷结构和性能的影响

采用固相烧结法，在硅藻土基多孔陶瓷的配料里添加不同量的超细电气石粉，制备了一种新型环境材料-硅藻土基多孔功能陶瓷。并通过扫描电镜、压汞仪、负离子数检测仪等手段对材料进行了表征。着重考察了电气石含量对材料的微观结构、孔径分布、负离子释放量以及吸附和降解孔雀石绿能力等因素的影响。结果表明：当电气石含量为12％时，材料内孔径细小、均匀，板状颗粒上均匀分布着孔径大约20hm的硅藻土原始孔洞，颗粒之间为由固相烧结后颗粒堆积形成的较大的空隙，材料的最可几孔孔径、平均孔径、中值孔径及比表面积最高，依次为207．8、49．8、207．8nm、16．93m^2／g，材料的孔隙率随电气石含量的增加而下降；当电气石含量为20％时，材料的负离子释放量最高，达3163个／cm^3；材料对孔雀石绿的吸附和降解能力随电气石含量的增加而增加，当电气石含量为20％时，反应6h，412与618nm处吸收峰消失，基本达到了对溶液中孔雀石绿的完全吸附和降解。     

The role of aggregates on the structure and properties of lime mortars

Lime mortars have been used for centuries in civil engineering construction. Considering ancient monuments and historical buildings it seems that these mortars have proved to be durable and reliable materials although they are of low strength in comparison with cement mortars. Nowadays, they are used for the repair of monuments and for the manufacture of renderings and plasters.

In the present paper the role of aggregates on the structure and behaviour of lime mortars is examined by studying the influence of the aggregate content and the grain size on strength, porosity and volume stability of the mortars. Capillary porosity by suction was also measured as an indicator of resistance to weathering. It is shown that coarse aggregates contribute to the volume stability of lime mortars independent of strength enhancement when adequate compaction reduces the capillary pores. The highest strength values, and consequently, the low porosity, were attained by lime mortars of low binder/aggregate ratio which contained aggregates of maximum size 0–4 mm.     

超声外场对SiCp/7085复合材料界面及拉伸性能的影响

为研究超声辅助制备工艺对SiC_p/7085复合材料界面结合及拉伸性能的影响,用机械搅拌、机械搅拌+超声施振、超声施振3种工艺制备体积分数为10%的SiC_p/7085复合材料.采用扫描电子显微镜(SEM)、能谱(EDS)研究各工艺对SiC_p/7085复合材料的界面微观组织和拉伸性能的影响.实验结果表明:机械搅拌工艺促进大颗粒(80μm)与熔体结合,但产生了粗大Al4C3界面产物包裹层,且难改善小颗粒(37μm)与熔体界面结合差的问题;超声施振能促进界面反应,生成尺寸细小、排列规整、紧密的Mg O、Mg Al2O4界面强化相覆盖层,有效改善小颗粒与熔体界面结合;相比于7085铝合金,机械搅拌不能改善SiC_p/7085复合材料拉伸性能,而超声施振的加入能显著提升材料拉伸性能.     

Effect of protein adsorption on the fluorescence of ultrasmall gold nanoclusters

The interaction of proteins with ultrasmall gold nanoclusters (Au NCs) is investigated. Upon protein association, the fluorescence of Au NCs is significantly enhanced and, concomitantly, their luminescence lifetime is prolonged. The results stress the importance of investigating the behavior of fluorescent metal NCs in complex biological environment for advancing their bio-nanotechnology applications.     

Insights into the structures,energies and electronic properties of nesquehonite surfaces by first-principles calculations

By using the first-principles calculations, the structure, energies and electronic properties of four commonly exposed surfaces for the nesquehonite crystal were investigated. The needle-like nesquehonite whisker is well developed with smooth side faces and irregular hexagonal end faces. Surface energy results indicate that the (1 0 1) surface is the most stable surface and corresponds to the side face. The density of dangling bond has a positive relationship with surface energy and the (1 0 1) surface has the least dangling bonds. In terms of relaxed surface energy, the order of relaxed surfaces is (1 0 1) < (2 0 0)-H < (3 0 1) < (2 0 0)-M < (0 0 4). During surface relaxation, the changes in the length of Mg-O bonds and hydrogen bonds contribute to generating a more stable surface with a lower surface energy. The PDOS (partial density of states) of these surfaces are mainly dominated by Mg and O atoms. A small peak value is found in the PDOS of (1 0 1) and (3 0 1) surfaces, which have less exposed Mg-O bonds. Electron transfer causes changes in the length of Mg-O bonds. A more active surface will obtain a larger value of transferred electrons during surface relaxation.     

Surface modification of polyurethane via creating a biocompatible superhydrophilic nanostructured layer: role of surface chemistry and structure

Advanced surface modification approaches of biomaterials alongside the advent of sophisticated analytical techniques have provided a great opportunity to understand how the physicochemical characteristics of materials determine cell–surface dynamics at molecular and atomic scale. However, there are still many contradictory reports, which are mainly due to inadequate information about the role of the two parameters of surface chemistry and structure and their synergistic effect as an adequate predictor of biological performance. Here, surface parameters were altered by grafting of poly ethylene glycol (PEG) on polyurethane (PU) surfaces through a superhydrophilic modification method. In this study, surface modification of PU films by PEG thin layer via grafting technique and TiO2 nanoparticle entrapment in the brush polymers was investigated. The surface modification led to a reduction in protein adsorption and bacterial attachment by 8.7 times and 71% respectively with no cytotoxicity effect on HeLa cells. It was also observed that when PU surface became superhydrophilic the bacterial adhesion becomes independent of bacterium type. In general, it was observed that the impact of topographical changes on the biocompatibility and biofilm formation becomes significantly more profound than that of the surface chemistry alteration.