ALBERT

Description: Numerous studies have indicated that intrinsic defects in lithium niobate (LN) dominate its physical properties. In an Nb-rich environment, the structure that consists of a niobium anti-site with four lithium vacancies is considered the most stable structure. Based on the density functional theory (DFT), the specific configuration of the four lithium vacancies of LN were explored. The results indicated the most stable structure consisted of two lithium vacancies as the first neighbors and the other two as the second nearest neighbors of Nb anti-site in pure LN, and a similar stable structure was found in the doped LN. We found that the defects dipole moment has no direct contribution to the crystal polarization. Spontaneous polarization is more likely due to the lattice distortion of the crystal. This was verified in the defects structure of Mg2+, Sc3+, and Zr4+ doped LN. The conclusion provides a new understanding about the relationship between defect clusters and crystal polarization.

Description: Materials, Vol. 11, Pages 1488: Study on the Effect of Demulsification Speed of Emulsified Asphalt based on Surface Characteristics of Aggregates Materials doi: 10.3390/ma11091488 Authors: Fanlong Tang Guangji Xu Tao Ma Lingyun Kong Aggregate is an indispensable raw material for emulsified asphalt construction. For the purpose of explaining the influence of aggregate characteristics on the demulsification speed of emulsified asphalt, the surface energy and specific surface area (SSA) characteristics of aggregates were calculated based on the capillary rise method and the BET (Brunauer-Emmett-Teller) adsorption test. Afterwards, the effect of the surface energy and specific surface area of the aggregate on the emulsified asphalt demulsification speed was systematically studied by using ultraviolet spectroscopy as well as the orthogonal test. Experimental results indicate that the specific surface energy parameter of the aggregate is certainly related to the particle size of the aggregate. That is, the surface free energy of the unit system is proportional to the surface area A and the density of the interface unit. The specific surface area parameter of aggregates increases with the decrease of particle size, when the particle size is reduced to 600 mesh, the specific surface area parameters of the three aggregates selected in this paper tend to be consistent. Orthogonal experimental analysis demonstrates that the surface energy and specific surface area have an impact on the emulsion breaking speed and they are proven to be positively correlated. Meanwhile, in the case of small particle sizes, there is no statistically significant correlation between the physical properties of aggregates and the demulsification speed of emulsified asphalt, and the physical property of aggregates is not the main factor that affects the demulsification speed of the emulsified asphalt. On the contrary, the material properties of the aggregate, such as acid-base property and chargeability, are the dominant factors.

Description: Materials, Vol. 11, Pages 1805: A Study of Strain-Driven Nucleation and Extension of Deformed Grain: Phase Field Crystal and Continuum Modeling Materials doi: 10.3390/ma11101805 Authors: Kong Gao Deng Luo Lu The phase-field-crystal (PFC) method is used to investigate migration of grain boundary dislocation and dynamic of strain-driven nucleation and growth of deformed grain in two dimensions. The simulated results show that the deformed grain nucleates through forming a gap with higher strain energy between the two sub-grain boundaries (SGB) which is split from grain boundary (GB) under applied biaxial strain, and results in the formation of high-density ensembles of cooperative dislocation movement (CDM) that is capable of plastic flow localization (deformed band), which is related to the change of the crystal lattice orientation due to instability of the orientation. The deformed grain stores the strain energy through collective climbing of the dislocation, as well as changing the orientation of the original grain. The deformed grain growth (DGG) is such that the higher strain energy region extends to the lower strain energy region, and its area increase is proportional to the time square. The rule of the time square of the DGG can also be deduced by establishing the dynamic equation of the dislocation of the strain-driven SGB. The copper metal is taken as an example of the calculation, and the obtained result is a good agreement with that of the experiment.

Description: Structural vibration induced by dynamic load or natural vibration is a non-negligible factor in failure analysis. Based on a vibrating boundary condition, the impact resistance of shape memory alloy (SMA)-reinforced composites was investigated. In this investigation, a modified Hashin’s failure criterion, Brinson’s model, and a visco-hyperelastic model were implemented into a numerical model to characterize the mechanical behavior of glass fiber/epoxy resin laminates, SMAs, and interphase, respectively. First, a fixed boundary condition was maintained in the simulation to verify the accuracy of the material parameters and procedures by a comparison with experimental data. Then, a series of vibrating boundaries with different frequencies and amplitudes was applied during the simulation process to reveal the effect on impact resistances. The results indicate that the impact resistance of the composite under a higher frequency or a larger amplitude is lower than that under a lower frequency or a smaller amplitude.

Description: The cement and asphalt mortar (CA mortar) used in the China Railway Track System (CRTS) I ballastless slab track may encounter a coupling fatigue effect under the high-frequency vibration, load and high-and-low temperature cycles, and the deterioration under fatigue may happen during service of the high-speed railway. In this study, the performance degradation and its mechanism of the CA mortar with and without polymer emulsion incorporated under the coupling fatigue effects of the high-frequency vibration, load and temperature were studied by using an anti-fatigue testing device specially developed for the CA mortar used in the ballastless slab track of the high-speed railway. The results showed that the deformation capacity of the CA mortar for CRTS I slab ballastless slab track decreased after fatigue test under simulated service environment, presenting a typical brittle characteristic and an obvious reduction of the ductility and toughness. The Scanning Electron Microscopy (SEM) observation and the mercury intrusion porosimetry (MIP) analysis showed that the volume of the macropore decreased whereas that of the micropore increased after the fatigue test. The asphalt in the hardened CA mortar revealed a softening and migration from the bulk paste to fill the pore and make the structure denser and even ooze out of the CA mortar under the high-frequency vibration and high temperature. Through incorporating the polymer emulsion, the anti-fatigue property of the CA mortar was obviously improved, which can prevent the CA mortar from losing its elastic adjustment function too early. Though increase of the strength and elastic modulus for the CA mortar after severe service is beneficial to the stability of train running, the comfort level and safety of the train operation may decline due to the gradual reduction of the ductility & toughness and the gradual loss of the elastic damping adjustment function of the CA mortar between the base concrete slab and the track slab.

Description: Pyrazine derivatives quinoxaline and pyridopyrazine were selected as the acceptors, and benzocarbazole was used as the donor to synthesize four different D–A–D compounds. The results showed that 2,3-bis(decyloxy)pyridine[3,4-b]pyrazine (DPP) exhibited stronger electron-withdrawing ability than that of 2,3-bis(decyloxy)quinoxaline (DPx), because DPP possesses one more nitrogen (N) atom, resulting in a red-shift of the intramolecular charge transfer (ICT) absorption bands and fluorescent emission spectra for compounds with DPP as the acceptor compared with those that use DPx as the acceptor. The band-gap energy (Eg) of the four D–A–D compounds were 2.82 eV, 2.70 eV, 2.48 eV, and 2.62 eV, respectively, for BPC-2DPx, BPC-3DPx, BPC-2DPP, and BPC-3DPP. The solvatochromic effect was insignificant when the four compounds were in the ground state, which became significant in an excited state. With increasing solvent polarity, a 30–43 nm red shift was observed in the emissive spectra of the compounds. The thermal decomposition temperatures of the four compounds between 436 and 453 °C had very high thermal stability. Resistor-type memory devices based on BPC-2DPx and BPC-2DPP were fabricated in a simple sandwich configuration, Al/BPC-2DPx/ITO or Al/BPC-2DPP/ITO. The two devices showed a binary non-volatile flash memory, with lower threshold voltages and better repeatability.

Description: Materials, Vol. 11, Pages 1014: Stabilization of Loess Using Nano-SiO2 Materials doi: 10.3390/ma11061014 Authors: Ran Kong Fanyu Zhang Gonghui Wang Jianbing Peng Improving the performance of loess is of significant importance for lowering its collapsibility and water sensitivity to construction requirements and for geohazard mitigation. The present paper studies the changes in mechanical, structural, and mineralogical properties of nano-SiO2-treated loess with different contents and curing days. The mechanical behavior was examined by unconfined compressive strength (UCS) of untreated and treated loess. To better understand the mechanisms of stabilization, particle size distributions, scanning electron microscope (SEM) images, and X-ray diffraction (XRD) analyses were carried out. The results show that the UCS increase with increasing contents and curing days due to nano-SiO2 addition produced coarser particles, denser packing, and smaller pores in treated loess. The changes in the properties can be attributed to the formation of aggregation and agglomeration, with greater particle sizes and more interparticle contact. In addition, the results from mineralogical component analysis further confirm that physical structure modification controls the changes in mechanical and fabric properties, rather than chemical component alteration. Even small nano-SiO2 additions can also provide great improvement when curing days are enough for the treated loess. These findings reveal that nano-SiO2 has the potential to serve as a cost-effective stabilized additive that treats the universal loess.

Description: Materials, Vol. 11, Pages 539: Diatomite Photonic Crystals for Facile On-Chip Chromatography and Sensing of Harmful Ingredients from Food Materials doi: 10.3390/ma11040539 Authors: Xianming Kong Qian Yu Erwen Li Rui Wang Qing Liu Alan Wang Diatomaceous earth—otherwise called diatomite—is essentially composed of hydrated biosilica with periodic nanopores. Diatomite is derived from fossilized remains of diatom frustules and possesses photonic-crystal features. In this paper, diatomite simultaneously functions as the matrix of the chromatography plate and the substrate for surface-enhanced Raman scattering (SERS), by which the photonic crystal-features could enhance the optical field intensity. The on-chip separation performance of the device was confirmed by separating and detecting industrial dye (Sudan I) in an artificial aqueous mixture containing 4-mercaptobenzoic acid (MBA), where concentrated plasmonic Au colloid was casted onto the analyte spot for SERS measurement. The plasmonic-photonic hybrid mode between the Au nanoparticles (NP) and the diatomite layer could supply nearly 10 times the increment of SERS signal (MBA) intensity compared to the common silica gel chromatography plate. Furthermore, this lab-on-a-chip photonic crystal device was employed for food safety sensing in real samples and successfully monitored histamine in salmon and tuna. This on-chip food sensor can be used as a cheap, robust, and portable sensing platform for monitoring for histamine or other harmful ingredients at trace levels in food products.

Description: Materials, Vol. 11, Pages 283: Effect of Laser Remelting on Friction-Wear Behaviors of Cold Sprayed Al Coatings in 3.5% NaCl Solution Materials doi: 10.3390/ma11020283 Authors: Zhang Jing Kong Dejun A cold sprayed Al coating on S355 structural steel was processed using a laser remelting (LR). The surface and cross-section morphologies, chemical compositions, and phases of as-obtained Al coating before and after LR were analyzed using a scanning electronic microscope (SEM), energy dispersive spectrometer (EDS), and X-ray diffractometer (XRD), respectively, and their hardness was measured using a micro-hardness tester. The friction-wear behaviors of Al coating before and after LR in 3.5% NaCl solution were conducted to simulate the sand and gravel scouring on its surface in seawater, the effects of wear loads and speeds on the tribological properties of Al coating were analyzed, and the wear mechanisms under different wear loads and speeds were also discussed. The results show that the Al coating after LR is primarily composed of an Al phase and its hardness is 104.66 HV, increasing 54.70 HV than the cold sprayed Al coating. The average coefficient of friction (COF) of cold sprayed Al coating at the wear load of 0.5, 1.0 and 1.5 N is 0.285, 0.239, and 0.435, respectively, while that after LR is 0.243, 0.227, and 0.327, respectively, decreased by 14.73%, 5.02% and 24.83% compared to the cold sprayed Al coating. The wear rate of cold sprayed Al coating at the wear load of 0.5, 1.0 and 1.5 N is 1.60 × 10−4, 2.36 × 10−4, and 2.40 × 10−4 mm3/m·N, respectively, while that after LR is 1.59 × 10−4, 1.70 × 10−4, and 1.94 × 10–4 mm3/m·N, respectively, decreased by 1%, 32%, and 23%, respectively, indicating that LR has high anti-friction performance. Under the wear load action of 1.0 N, the average COF of laser remelted Al coating at the wear speeds of 300, 400 and 500 times/min is 0.294, 0.279, and 0.239, respectively, and the corresponding wear rate is 1.06 × 10−4, 1.24 × 10−4, and 1.70 × 10−4 mm3/m·N, respectively. The wear mechanism of cold sprayed Al coating is primarily corrosion wear at the loads of 0.5 and 1.0 N, and that at the load of 1.5 N is abrasive wear and fatigue wear; while that after LR is abrasive wear and fatigue wear, with no corrosion wear, showing that LR improves its corrosion and wear resistance.

Description: Materials, Vol. 11, Pages 121: Toxicity Evaluation of Individual and Mixtures of Nanoparticles Based on Algal Chlorophyll Content and Cell Count Materials doi: 10.3390/ma11010121 Authors: Kyung-Seok Ko Dong-Chan Koh In Kong The toxic effects of individual and binary mixtures of five metal oxide nanoparticles (NPs) were evaluated based on changes in two endpoints of algal growth: the cell count and chlorophyll content. Various effects were observed according to the concentration tested and type of NPs, and there were no significant differences in findings for the two endpoints. In general, ZnO NPs caused the greatest inhibition of algal growth, and Fe2O3 NPs the least. The EC50 for ZnO was 2.0 mg/L for the cell count and 2.6 mg/L for the chlorophyll content, and it was 76 and 90 mg/L, respectively, for Fe2O3. The EC50 values were in the order ZnO > NiO > CuO > TiO2 > Fe2O3. Subsequently, the effects of 30 binary mixture combinations on the chlorophyll content were evaluated. Comparisons were made between the observed and the expected toxicities calculated based on the individual NP toxicities. Overall, additive action (67%) was mainly observed, followed by antagonistic (16.5%) and synergistic (16.5%) actions. These results suggest that environmental exposure to NP mixtures may cause toxicity levels similar to the sum of those of the constituent NPs.