Molecular dynamics simulation of mechanical behavior of osteopontin-hydroxyapatite interfaces

Bone is characterized with an optimized combination of high stiffness and toughness. The understanding of bone nanomechanics is critical to the development of new artificial biological materials with unique properties. In this work, the mechanical characteristics of the interfaces between osteopontin (OPN, a noncollagenous protein in extrafibrillar protein matrix) and hydroxyapatite (HA, a mineral nanoplatelet in mineralized collagen fibrils) were investigated using molecular dynamics method. We found that the interfacial mechanical behaviour is governed by the electrostatic attraction between acidic amino acid residues in OPN and calcium in HA. Higher energy dissipation is associated with the OPN peptides with a higher number of acidic amino acid residues. When loading in the interface direction, new bonds between some acidic residues and HA surface are formed, resulting in a stick-slip type motion of OPN peptide on the HA surface and high interfacial energy dissipation. The formation of new bonds during loading is considered to be a key mechanism responsible for high fracture resistance observed in bone and other biological materials.

Eigenstrain boundary integral equations with local Eshelby matrix for stress analysis of ellipsoidal particles

Aiming at the large scale numerical simulation of particle reinforced materials, the concept of local Eshelby matrix has been introduced into the computational model of the eigenstrain boundary integral equation (BIE) to solve the problem of interactions among particles. The local Eshelby matrix can be considered as an extension of the concepts of Eshelby tensor and the equivalent inclusion in numerical form. Taking the subdomain boundary element method as the control, three-dimensional stress analyses are carried out for some ellipsoidal particles in full space with the proposed computational model. Through the numerical examples, it is verified not only the correctness and feasibility but also the high efficiency of the present model with the corresponding solution procedure, showing the potential of solving the problem of large scale numerical simulation of particle reinforced materials.

Ultrasensitive strain sensors made from metal-coated carbon nanofiller/epoxy composites

A set of resistance-type strain sensors has been fabricated from metal-coated carbon nanofiller (CNF)/epoxy composites. Two nanofillers, i.e., multi-walled carbon nanotubes and vapor growth carbon fibers (VGCFs) with nickel, copper and silver coatings were used. The ultrahigh strain sensitivity was observed in these novel sensors as compared to the sensors made from the CNFs without metal-coating, and conventional strain gauges. In terms of gauge factor, the sensor made of VGCFs with silver coating is estimated to be 155, which is around 80 times higher than that in a metal-foil strain gauge. The possible mechanism responsible for the high sensitivity and its dependence with the networks of the CNFs with and without metal-coating and the geometries of the CNFs were thoroughly investigated.

Locating delamination in composite laminated beams using the A0 Lamb mode

In this study, experimental and numerical investigations have been conducted to explore the possibility of using A0 mode in Lamb waves to detect the position of delamination in carbon fiber reinforced plastic (CFRP) laminated beams. An experimental technique for exciting and sensing the pure A0 mode has been developed. By measuring the propagation speed of A0 mode and traveling time of a signal reflected from the delamination, its location can be identified experimentally and numerically. Moreover, the numerical analysis has been extended to gain a better understanding of the complex interaction between A0 mode and a long delamination case.

Comparative study of photocatalytic performance of titanium oxide spheres assembled by nanorods, nanoplates and nanosheets

TiO2 spheres assembled by nanorods, nanoplates and nanosheets were fabricated by facile hydrothermal/solvothermal methods. The three samples were thoroughly characterised by scanning electron microscopy, X-ray diffraction, the Brunauer–Emmett–Teller method and UV spectroscopy. The surface area of spheres assembled by nanosheets was 83.9 m2g–1, which is larger than that obtained for nanorods (10.8 m2g–1) and nanoplates (6.31 m2g–1). Their photocatalytic performance was evaluated in terms of the decomposition rate of methyl orange in these three samples under UV irradiation. The best photoactivity was observed in the samples constructed from nanosheets.

Preparation of mesoporous bioglass coated zirconia scaffold for bone tissue engineering

Porous yttria-stabilized zirconia (YSZ) has been regarded as a potential candidate for bone substitute due to its high mechanical strength. However, porous YSZ is biologically inert to bone tissue. It is therefore necessary to introduce bioactive coatings onto the walls of the porous structures to enhance its bioactivity. In this study, porous YSZ scaffolds were prepared using a replication technique and then coated with mesoporous bioglass due to its excellent bioactivity. The microstructures were examined using scanning electron microscopy and the mechanical strength was evaluated via compression test. The biocompatibility and bioactivity were also evaluated using bone marrow stromal cell (BMSC) proliferation test and simulated body fluid test.

One-step synthesis of titanium oxide with trilayer structure for dye-sensitized solar cells

Titanium oxide films with trilayer structure grown on fluorine doped tin oxide substrate were prepared from one-step hydrothermal process. The trilayer structure consists of microflowers, nanorod array and compact nanoparticulates, which is expected to possess the merits of good light harvesting, a high electron transport rate, while avoiding the issues of electron shunting. The photovoltaic performance was comprehensively studied and a 60% enhancement in short circuit photocurrent density was found from microflowers contribution as a light scattering layer. This unique trilayer structure exhibits great potential application in future dye-sensitized solar cells.

Investigation on mechanical behaviour of AM60 magnesium alloys

Purpose: In this work, tension, impact, bend and fatigue tests were conducted in an AM60 magnesium alloy. The effects of environmental temperature and loading rates on impact and tension behavior of the alloy were also investigated. Design/methodology/approach: The tests were conducted using an Instron universal testing machine. The loading speed was changed from 1 mm/min to 300 mm/min to gain a better understanding of the effect of strain rate. To understand the failure behavior of this alloy at different environmental temperatures, Charpy impact test was conducted in a range of temperatures (-40~35°C). Plane strain fracture toughness (KIC) was evaluated using compact tension (CT) specimen. To gain a better understanding of the failure mechanisms, all fracture surfaces were observed using scanning electron microscopy (SEM). In addition, fatigue behavior of this alloy was estimated using tension test under tension-tension condition at 30 Hz. The stress amplitude was selected in the range of 20~50 MPa to obtain the S-N curve. Findings: The tensile test indicated that the mechanical properties were not sensitive to the strain rates applied (3.3x10-4~0.1) and the plastic deformation was dominated by twining mediated slip. The impact energy is not sensitive to the environmental temperature. The plane strain fracture toughness and fatigue limit were evaluated and the average values were 7.6 MPa.m1/2 and 25 MPa, respectively. Practical implications: Tested materials AM60 Mg alloy can be applied among others in automotive industry aerospace, communication and computer industry. Originality/value: Many investigations have been conducted to develop new Mg alloys with improved stiffness and ductility. On the other hand, relatively less attention has been paid to the failure mechanisms of Mg alloys, such as brittle fracture and fatigue, subjected to different environmental or loading conditions. In this work, tension, impact, bend and fatigue tests were conducted in an AM60 magnesium alloy.

Nanostructured high strength Mg-5%Al-x%Nd alloys prepared by mechanical alloying

Nanostructured high strength Mg-5%Al-x%Nd alloys were prepared by mechanical alloying. Microstructural characterization reveled average crystalline size to be about 30 nm after mechanical alloying while it increased to about 90 nm after sintering and extrusion. Mechanical properties showed increase in 0.2% yield stress, ultimate tensile strength was attributed to reduction in gain size as well as to the enhanced diffusion after mechanical activation. Although ultra high yield stress was observed from the specimen with 5% Nd, its ductility was reduced to about 1.6%.

In-situ combustion synthesis of ultrafine TiB2 particles reinforced Cu matrix composite

Due to the lower strength of pure copper (Cu), ceramic particulate or whisker reinforced Cu matrix composites have attracted wide interest in recent years [1–3]. These materials exhibit a combination of excellent thermal and electrical conductivities, high strength retention at elevated temperatures, and high microstructural stability [3]. The potential applications include various electrodes, electrical switches, and X-ray tube components [4].

Fabrication and microstructure of mechanically alloyed Mg-Al-Nd alloys

In this work, nanocrystalline Mg-Al-Nd alloys were fabricated using mechanical alloying method. Phase structure of the extrided rods was examined using X-ray diffraction (XRD) and the microstructures were observed using transmission electronic microscopy (TEM). High yield strength was obtained in the alloys with a high Nd content due to grain refinement and Nd rich precipitate phase.

Nonlinear analysis of plastic ball grid array solder joints

A nonlinear finite element analysis was carried out to investigate the viscoplastic deformation of solder joints in a ball grid array (BGA) package under temperature cycle. The effects of constraint on print circuit board (PCB) and stiffness of substrate on the deformation behaviour of the solder joints were also studied. A relative damage stress was adopted to analyze the potential failure sites in the solder joints. The results indicated that high inelastic strain and strain energy density were developed in the joints close to the package center. On the other hand, high constraint and high relative damage stress were associated with the joint closest to the edge of the silicon chip. The joint closest to the edge of the silicon chip was regarded as the most susceptible failure site if cavitation instability is the dominant failure mechanism. Increase the external constraint on the print circuit board (PCB) causes a slight increase in stress triaxiality (m/eq) and relative damage stress in the joint closest to the edge of silicon die. The relative damage stress is not sensitive to the Young’s modulus of the substrate.

Hydrogen evolution by a metal-free electrocatalyst

Electrocatalytic reduction of water to molecular hydrogen via the hydrogen evolution reaction may provide a sustainable energy supply for the future, but its commercial application is hampered by the use of precious platinum catalysts. All alternatives to platinum thus far are based on nonprecious metals, and, to our knowledge, there is no report about a catalyst for electrocatalytic hydrogen evolution beyond metals. Here we couple graphitic-carbon nitride with nitrogen-doped graphene to produce a metal-free hybrid catalyst, which shows an unexpected hydrogen evolution reaction activity with comparable overpotential and Tafel slope to some of well-developed metallic catalysts. Experimental observations in combination with density functional theory calculations reveal that its unusual electrocatalytic properties originate from an intrinsic chemical and electronic coupling that synergistically promotes the proton adsorption and reduction kinetics.

Effect of strong acids on red mud structural and fluoride adsorption properties

The removal of fluoride using red mud has been improved by acidifying red mud with hydrochloric, nitric and sulphuric acid. This investigation shows that the removal of fluoride using red mud is significantly improved if red mud is initially acidified. The acidification of red mud causes sodalite and cancrinite phases to dissociate, confirmed by the release of sodium and aluminium into solution as well as the disappearance of sodalite bands and peaks in infrared and X-ray diffraction data. The dissolution of these mineral phases increases the amount of available iron and aluminium oxide/hydroxide sites that are accessible for the adsorption of fluoride. The removal of fluoride is dependent on the charge of iron and aluminium oxide/hydroxides on the surface of red mud. Acidifying red mud with hydrochloric, nitric and sulphuric acid resulted in surface sites of the form ≡ SOH2+ and ≡ SOH. Optimum removal is obtained when the majority of surface sites are in the form ≡ SOH2+ as the substitution of a fluoride ion doesn’t cause a significant increase in pH. This investigation shows the importance of having a low and consistent pH for the removal of fluoride from aqueous solutions using red mud.

Multi-shot person re-identification via relational stein divergence

Person re-identification is particularly challenging due to significant appearance changes across separate camera views. In order to re-identify people, a representative human signature should effectively handle differences in illumination, pose and camera parameters. While general appearance-based methods are modelled in Euclidean spaces, it has been argued that some applications in image and video analysis are better modelled via non-Euclidean manifold geometry. To this end, recent approaches represent images as covariance matrices, and interpret such matrices as points on Riemannian manifolds. As direct classification on such manifolds can be difficult, in this paper we propose to represent each manifold point as a vector of similarities to class representers, via a recently introduced form of Bregman matrix divergence known as the Stein divergence. This is followed by using a discriminative mapping of similarity vectors for final classification. The use of similarity vectors is in contrast to the traditional approach of embedding manifolds into tangent spaces, which can suffer from representing the manifold structure inaccurately. Comparative evaluations on benchmark ETHZ and iLIDS datasets for the person re-identification task show that the proposed approach obtains better performance than recent techniques such as Histogram Plus Epitome, Partial Least Squares, and Symmetry-Driven Accumulation of Local Features.