Data correction and verification of thermal simulation experiments under the influence of bulging belly.

During the thermal simulation compression test, the formation of an obvious bulge in the specimen leads to a certain deviation between the calculated and actual values of the true stress. The finite element method was used to simulate the single-pass compression of specimens of 34CrNi3MoV steel and obtain the actual nonuniform deformation of the bulging belly during the compression process, and the results were applied to correct experimental flow curves. The results showed that the deformation conditions had a significant influence on the nonuniformity of the specimen deformation during the compression process, and all the modified flow curves were lower than the original ones. The size of the bulge and the metal flow line in the finite element simulation were consistent with the test results. The load value obtained by using the modified flow curve was similar to the load value measured in the test, which indicated that the modified flow curve was very close to the real flow force curve of the material. The method used to modify the flow force curve is simple and practical.

In situ preparation of double gradient anode materials based on polysiloxane for lithium-ion batteries.

Although silicon has a high volumetric energy density as an anode material for Li-ion batteries, its volumetric expansion and sluggish Li+ migration kinetics need to be urgently addressed. In this work, cage-like structure materials (HRPOSS) derived from the in situ hydrogen reduction of polyhedral oligomeric silsesquioxane (T8-type POSS) were constructed as an Si@C anode for Li-ion batteries. Benefiting from the intriguing features of the Si/N double gradient and even-distributed silicon, HRPOSS-6 exhibited faint volume changes and fast ion-electron kinetics. Moreover, the uniformly immobilized nano-silicic and concentration gradient were favorable for accelerated ion migration. Therefore, HRPOSS-6 exhibited good electrochemical performances given that its cage structure could relieve the volume expansion. HRPOSS-6 demonstrated a high reversible capacity of 1814.1 mA h g-1 and long cycling performance after 200 cycles with 635 mA h g-1 at a current density of 0.5 A g-1. Accordingly, this Si/C/N composite exhibited great potential for high energy Li-ion batteries, where the corresponding full-cell (HRPOSS-6//LiNi0.6Co0.2Mn0.2O2) showed a cycle life of 200 cycles with over 80% capacity retention at rate of 1C. This work exploits the concentration gradients of dual elements for the capacity improvement of Si anodes and offers insight into the development of high-performance Si@C anode materials for advanced Li-ion batteries.

Study on Material Design and Corrosion Resistance Based on Multi-Principal Component Alloying Theory.

This study mainly attempts to develop Mg-based alloy materials with excellent corrosion resistance by means of multi-principal alloying. The alloy elements are determined based on the multi-principal alloy elements and the performance requirements of the components of biomaterials. Mg30Zn30Sn30Sr5Bi5 alloy was successfully prepared by vacuum magnetic levitation melting. Through the electrochemical corrosion test with m-SBF solution (pH7.4) as the electrolyte, the corrosion rate of alloy Mg30Zn30Sn30Sr5Bi5 alloy decreased to 20% of pure Mg. It could also be seen from the polarization curve that when the self-corrosion current density is low, the alloy shows superior corrosion resistance. Nevertheless, with the increase in self-corrosion current density, although the anodic corrosion performance of the alloy is obviously better than that of pure Mg, the cathode shows the opposite situation. The Nyquist diagram shows that the self-corrosion potential of the alloy is much higher than that of pure Mg. In general, under the condition of low self-corrosion current density, the alloy materials display excellent corrosion resistance. It is proved that the multi-principal alloying method is of positive significance for improving the corrosion resistance of Mg alloys.

The effect of medical biodegradable magnesium alloy in vivo degradation and bone response in a rat femur model with long-term fixation.

BACKGROUND: It is of great significance to understand the effect of the different corrosion behaviors of magnesium (Mg) alloys manufactured using different casting methods and implanted with different methods on the long-term implantation to expand the application of Mg-based biomedical implants. OBJECTIVE: The effects of four different casting and rolling speeds on the microstructure of an Mg-rare earth (Mg-Re) alloy were analyzed using electron backscatter diffraction (EBSD). METHOD: Four Mg alloys were obtained using vertical two-roll casting (TRC) at 10 m/min, 16 m/min, 24 m/min, and 30 m/min, and their microstructure, corrosion behavior and bone reaction in vivo were studied. RESULTS: The corrosion resistance of the alloy increases with an increase in casting speed and finer grain size of the cast-rolled parts. The Mg-Re alloys with TRC-10 m/min and TRC-30 m/min were selected for animal experiments. The two Mg alloys were made into metal rods and inserted into the rat femur to simulate the effect of Mg-Re on femoral healing under an injury condition. The rods were implanted for a long time to judge the effects of the Mg-Re alloy on the body. The TRC-30 m/min implants obtained highly mature new bone tissue in the case of bone injury. CONCLUSION: The in vivo experiments showed that the corrosion resistance of the TRC-30 m/min implant was better than that of the TRC-10 m/min implant. After 32 weeks of implantation, there were no pathological changes in the liver, heart, or kidney of rats in the TRC-30 m/min group, and the cell structure was normal.

In vivo degradation and bone reaction of long-term fixation with a magnesium alloy made by twin-roll casting in a rat femur model.

BACKGROUND: The effect of casting parameters on the microstructure and corrosion resistance of Mg alloys is still limited, especially in clinical animal experiments. OBJECTIVE: We prepared a new magnesium rare earth alloy (Mg-Re, where Re is Ce or La) by vertical two-roll casting and Mg-A by further rolling. The microstructure characteristics, degradation behavior, and bone reaction of the two alloys were studied. METHOD: Ti, Mg-Re, and Mg-A alloy plates were implanted in a rat femur model, and their degradation behavior was observed 48 weeks later. RESULTS: In vivo experiments showed no significant changes around the femur in the Ti group, excluding external factors that may cause bone remodeling and lead to new bone formation. Mg-A induces more new bone formation than Mg-Re, which meets the necessary conditions to prevent pathological fracture. The specimen staining and sectioning showed that the liver and heart of rats implanted with magnesium alloys had no pathological changes and the cell structure was normal, similar to that of rats without a magnesium alloy. CONCLUSION: Mg-A alloy has good healing potential as a biodegradable implant material.

Biomass-Derived Porous Carbon with a Good Balance between High Specific Surface Area and Mesopore Volume for Supercapacitors.

Porous carbon has been one desirable electrode material for supercapacitors, but it is still a challenge to balance the appropriate mesopore volume and a high specific surface area (SSA). Herein, a good balance between a high SSA and mesopore volume in biomass-derived porous carbon is realized by precarbonization of wheat husk under air atmosphere via a chloride salt sealing technique and successive KOH activation. Due to the role of molten salt generating mesopores in the precarbonized product, which can further serve as the active sites for the KOH activation to form micropores in the final carbon material, the mesopore-micropore structure of the porous carbon can be tuned by changing the precarbonization temperature. The appropriate amount of mesopores can provide more expressways for ion transfer to accelerate the transport kinetics of diffusion-controlled processes in the micropores. A high SSA can supply abundant sites for charge storage. Therefore, the porous carbon with a good balance between the SSA and mesopores exhibits a specific gravimetric capacitance of 402 F g-1 at 1.0 A g-1 in a three-electrode system. In a two-electrode symmetrical supercapacitor, the biomass-derived porous carbon also delivers a high specific gravimetric capacitance of 346 F g-1 at 1.0 A g-1 and a good cycling stability, retaining 98.59% of the initial capacitance after 30,000 cycles at 5.0 A-1. This work has fundamental merits for enhancing the electrochemical performance of the biomass-derived porous carbon by optimizing the SSA and pore structures.

Exploring the Dual Characteristics of CH3OH Adsorption to Metal Atomic Structures on Si (111)-7 × 7 Surface.

Metal atoms were deposited on an Si (111)-7 × 7 surface, and they were adsorbed with alcohol gases (CH3OH/C2H5OH/C3H7OH). Initially, CnH2n+1OH adsorption was simply used as an intermediate layer to prevent the chemical reaction between metal and Si atoms. Through scanning tunneling microscopy (STM) and a mass spectrometer, the CnH2n+1OH dissociation process is further derived as the construction of a surface quasi-potential with horizontal and vertical directions. With the help of three typical metal depositions, the surface characteristics of CH3OH adsorption are more clearly presented in this paper. Adjusting the preheating temperature, the difference of thermal stability between CH3O- and H+ could be obviously derived in Au deposition. After a large amount of H+ was separated, the isolation characteristic of CH3O- was discussed in the case of Fe deposition. In the process of building a new metal-CH3O--H+ model, the dual characteristics of CH3OH were synthetically verified in Sn deposition. CH3O- adsorption is prone to influencing the interaction between the metal deposition and substrate surface in the vertical direction, while H+ adsorption determines the horizontal behavior of metal atoms. These investigations lead one to believe that, to a certain extent, the formation of regular metal atomic structures on the Si (111)-7 × 7-CH3OH surface is promoted, especially according to the dual characteristics and adsorption models we explored.

X-ray interference fringes from a weakly bent plane-parallel crystal with negative strain gradient.

Under the anomalous transmission condition in the Bragg mode, X-ray interference fringes were observed between two beams with different hyperbolic trajectories in a very weakly bent plane-parallel perfect crystal with negative strain gradient. The origin of the fringes was analysed based on the dynamical theory of diffraction for a distorted crystal. In the reflected beam from the entrance surface, the interference fringes were observed between once- and twice-reflected beams from the back surface. In the transmitted beam from the back surface, the interference fringes were observed between the direct beam and once-reflected beam from the entrance surface. In the emitted beam from the lateral surface, the interference fringes were observed between the beams after different numbers of reflections in the crystal. The multiply reflected beams were formed by a combined result of long propagation length along the beam direction with large divergence of the refracted beams when the strain gradient was negative. The period of these interference fringes was sensitive to very weak strain, of the order of 10-7.

The Diffusion of Low-Energy Methyl Group on ITO Film Surface and Its Impact on Optical-Electrical Properties.

Indium tin oxide (ITO) film is one of the ideal candidates for transparent conductive cathode in methylammonium lead halide perovskite solar cells. Thus, the diffusion of methyl group in ITO film is inevitable, which could deteriorate the optical-electrical property of ITO film. In this study, ITO films with and without (100) preferred orientation were bombarded by the low-energy methyl group beam. After the bombardment, the optical-electrical property of ITO film without (100) preferred orientation deteriorated. The bombardment of methyl group had little influence on the optical-electrical property of ITO film with (100) preferred orientation. Finally, combining the crystallographic texture and chemical bond structure analysis, the diffusion mechanism of low-energy methyl group on ITO lattice and grain boundary, as well as the relation between the optical-electrical property and the diffusion of the methyl group, were discussed systematically. With the above results, ITO film with (100) preferred orientation could be an ideal candidate for transparent conductive cathode in methylammonium lead halide perovskite solar cells.

Study on Formation Process and Models of Linear Fe Cluster Structure on a Si(111)-7 × 7-CH3OH Surface.

STM results showed that Fe atoms were deposited on a Si(111)-7 × 7 reconstructed surface, which was saturated with CH3OH molecules. Fe atomic linear structure was composed of stable clusters and in-situ observed by the scanning tunneling microscopy (STM). The aim to improve its application of magnetic memory material, both formation process and models, has been explored in this paper. By combining surface images and mass spectrometer data, an intermediate layer model was established. In terms of thermal stability, the most favorable adsorption sites of CH3OH were further explored. After that, Fe atoms were deposited on the Si(111)-7 × 7-CH3OH surface, forming a linear cluster structure. On the one hand, a new Fe cluster model was put forward in this paper, which was established with height measurement and 3D surface display technology. This model is also affected by the evaporation temperature, which can be consistent with the atomic stacking pattern of face centered cubic structures. On the other hand, the slight height change suggested the stability of linear structures. Even in the condition of thin air introduction, Fe cluster showed a good performance, which suggested the possibility of magnetic memory application in the future. These investigations are believed to have, to a certain extent, increased the probability of forming Fe linear clusters on the surface of silicon substrate, especially according to the models and surface technology we adjusted.

Simulation of the Continuous Casting and Cooling Behavior of Metallic Glasses.

The development of melt spinning technique for preparation of metallic glasses was summarized. The limitations as well as restrictions of the melt spinning embodiments were also analyzed. As an improvement and variation of the melt spinning method, the vertical-type twin-roll casting (VTRC) process was discussed. As the thermal history experienced by the casting metals to a great extent determines the qualities of final products, cooling rate in the quenching process is believed to have a significant effect on glass formation. In order to estimate the ability to produce metallic glasses by VTRC method, temperature and flow phenomena of the melt in molten pool were computed, and cooling rates under different casting conditions were calculated with the simulation results. Considering the fluid character during casting process, the material derivative method based on continuum theory was adopted in the cooling rate calculation. Results show that the VTRC process has a good ability in continuous casting metallic glassy ribbons.

A new study on the growth behavior of austenite grains during heating processes.

In this paper, the effects of the heating temperature and holding time on the austenite grain growth of SCM435 steel were studied and analyzed in terms of the average, macro-axis and minor-axis size of the grains. The results indicated that the classical Sellars model was highly consistent for describing the growth stage of the new austenite but poorly described the initial nucleation-growth stage and stability stage of the austenite. A new model that expresses the average austenite grain growth of SCM435 steel was developed, and the values calculated based on this model were highly consistent with the actual measured values. The standard deviation and expected grain-size expressions increased as the heating temperature and holding time increased. The macro-axis and minor-axis size of the grains were linearly correlated with the average size, and the ratio of the macro-axis to the minor-axis size remained generally constant during grain growth. Furthermore, this paper provides a new way of thinking about heredity in materials science from the perspective of mathematical characteristics.

Erratum: An X-ray diffractometer using mirage diffraction. Erratum.

Errors in the article by Fukamachi, Jongsukswat, Ju, Negishi, Hirano & Kawamura [J. Appl. Cryst. (2014), 47, 1267-1272] are corrected.[This corrects the article DOI: 10.1107/S1600576714012114.].

An X-ray diffractometer using mirage diffraction.

Some characteristics are reported of a triple-crystal diffractometer with a (+, -, +) setting of Si(220) using mirage diffraction. The first crystal is flat, while the second and third crystals are bent. Basically, the first crystal is used as a collimator, the second as a monochromator and the third as the sample. The third crystal also works as an analyzer. The advantages of this diffractometer are that its setup is easy, its structure is simple, the divergence angle from the second crystal is small and the energy resolution of the third crystal is high, of the order of sub-meV.

Formation of linearly linked Fe clusters on Si(111)-7 × 7-C2H5OH surface.

The Fe atoms were deposited on the Si(111)-7 × 7 surface, which has been saturated with the C2H5OH molecules. Then, the Fe clusters were formed on Si(111)-7 × 7-C2H5OH surface and in situ observed by the scanning tunneling microscopy (STM). The STM images showed that with the increase of Fe clusters, the size of clusters was about 5 nm and they self-assembled in straightly linked chain crossing the step to lower or upper terrace. X-ray photoelectron spectroscopy (XPS) was in situ carried out on the surface of Fe/Si(111)-7 × 7-C2H5OH samples before and after the introduction of thin air (4.5 × 10(-2) Langmuir) into the STM chamber. The XPS results showed that the Fe clusters are stable in the abovementioned thin air condition at room temperature. Based on the STM and XPS results, the driving force making one-dimensional straightly linked chain structure might be the magnetic force of the Fe clusters. The formation of straightly linked Fe clusters chains suggests the formation of single magnetic domain Fe clusters. PACS: 07.79.Cz, 81.15.-z, 75.75.Fk.

Strain distribution in an Si single crystal measured by interference fringes of X-ray mirage diffraction.

In X-ray interference fringes accompanied by mirage diffraction, variations have been observed in the spacing and position of the fringes from a plane-parallel Si single crystal fixed at one end as a function of distance from the incident plane of the X-rays to the free crystal end. The variations can be explained by distortion of the sample crystal due to gravity. From the variations and positions of the fringes, the strain gradient of the crystal has been determined. The distribution of the observed strain agrees with that expected from rod theory except for residual strain. When the distortion is large, the observed strain distribution does not agree with that expected from rod theory.

Direct acquisition of interferogram by stage scanning in electron interferometry.

We present an electron holography technique to acquire an interferogram, that is, cosine image of phase distribution. The interferogram is constructed by shifting the specimen in one direction with a stage-scanning system and acquiring line intensities of holograms. Taking line intensities eliminates the carrier fringes in the holograms and yields the interferogram. Under phase object approximation, the object phase can be readily obtained from the interferogram without any reconstruction procedure. The spatial resolution of phase is determined independently of the fringe spacing, overcoming the limitation of conventional techniques based on the Fourier transformation method.

An XPS study on the chemical bond structure at the interface between SiO(x)N(y) and N doped polyethylene terephthalate.

The super-thin silicon oxynitride (SiOxNy) films were deposited onto the N doped polyethylene terephthalate (PET) surface. Varying the N doping parameters, the different chemical bond structures were obtained at the interface between the SiOxNy film and the PET surface. X-ray photoelectron spectra results showed that at the initial stage of SiOxNy film growth, the C=N bonds could be broken and C-N-Si crosslink bonds could be formed at the interface of SiOxNy∕PET, which C=N bonds could be formed onto the PET surface during the N doping process. At these positions, the SiOxNy film could be crosslinked well onto the PET surface. Meanwhile, the doped N could crosslink the [SiO4] and [SiN4] tetrahedrons, which could easily form the dense layer structure at the initial stage of SiOxNy film growth, instead of the ring and∕or chain structures of [SiO4] tetrahedrons crosslinked by O. Finally, from the point of applying SiOxNy∕PET complex as the substrate, the present work reveals a simple way to crosslink them, as well as the crosslink model and physicochemical mechanism happened at the interface of complex.

Effect of stress corrosion cracking at various strain rates on the electrochemical corrosion behavior of Mg-Zn-In-Sn alloy.

This study is aimed to determine the effect of stress corrosion with low strain rates on the electrochemical properties of alloy electrode. Stress corrosion cracking tests of Mg-Zn-In-Sn alloy in 3.5 wt.% sodium chloride solutions at 25°C were performed. The effects of the electrochemical properties under the stress corrosion with low strain rates were investigated. The microstructures of cross section were observed by optical microscope. The results showed that the ultimate tensile strengths of Mg-Zn-In-Sn alloy increased and the strain decreased as the strain rates increased. Open circuit potentials (OCP) of Mg-Zn-In-Sn alloy electrode possess stability and the loop currents (LC) were improved with the increasing of stress in the elastic zone. The variation of OCP and LC did not change with the increasing of strain-rate. The microstructure of cross section observing revealed the mechanism of OCP and LC changing.