Evaluation of Scale and Corrosion Inhibition of Modified Polyaspartic Acid

Amino acid modified polyaspartic acids were evaluated as calcium-scale inhibitors. Feasibility of scale inhibition experiments was analyzed by molecular dynamics simulation and Gaussian optimization, and the scale inhibition mechanism was theoretically analyzed. Scale inhibition performance was studied by scanning electron microscopy, X-ray diffraction, X-ray photoelectron spectroscopy, static scale inhibition experiments, and electrochemical performance testing, which provided an experimental basis for the molecular dynamics simulation. The experimental results showed that Arg-SA-PASP has better scale inhibition and corrosion inhibition performance than His-SA-PASP. The scale inhibition effect increased with increasing concentration. Electrochemical tests indicated that Arg-SA-PASP is an excellent scale and corrosion inhibitor.     

High-resolution FIB-TEM-STEM structural characterization of grain boundaries in the high dielectric constant perovskite CaCu3Ti4O12

In this work, the grain boundaries composition of the polycrystalline CaCu₃Ti₄O₁₂ (CCTO) was investigated. A Focused Ion Beam (FIB)/lift-out technique was used to prepare site-specific thin samples of the grain boundaries interface of CCTO ceramics. Scanning transmission electron microscopy (STEM) coupled with energy dispersive X-ray spectrometry (EDXS) and Electron Energy Loss Spectroscopy (EELS) systems were used to characterize the composition and nanostructure of the grain and grain boundaries region. It is known that during conventional sintering, discontinuous grain growth occurs and a Cu-rich phase appears at grain boundaries. This Cu-rich phase may affect the final dielectric properties of CCTO but its structure and chemical composition remained unknown. For the first time, this high-resolution FIB-TEM-STEM study of CCTO interfacial region highlights the composition of the phases segregated at grain boundaries namely CuO, Cu₂O and the metastable phase Cu₃TiO_4.     

Excited-state absorption of meso-tetrasulfonatophenyl porphyrin: Effects of pH and micelles

The influence of the environment on the excited state transitions of meso-tetrakis(p-sulfonatophenyl) porphyrin (TPPS) is reported. TPPS was investigated in protonated and non-protonated forms, and in the presence of the cationic cetyltrimethylammonium bromide (CTAB) micelles. The singlet excited-state absorption spectra were measured by using the white-light continuum Z-scan technique and the triplet–triplet absorption spectra were acquired employing an association of laser flash photolysis and Z-scan techniques. Our results show that the perseveration of the molecular symmetry, upon excitation, depends on the state of multiplicity of the molecules, as well as on the environment and structural characteristics of the porphyrin. Additionally, it was observed that for excited molecules, the ring distortion caused by the protonation of porphyrin ring has great influence on the changes observed for the symmetry and vibronic structure. The results clearly show that the porphyrin investigated is a promising candidate for optical limiting applications for all investigated environments.     

Genetic diversity by AFLP analysis within Jatropha curcas L. populations in the State of São Paulo,Brazil

The genetic diversity of 5 populations of Jatropha curcas L. (Euphorbiaceae), a species cultivated in tropical countries and used in biodiesel production, was analyzed by amplified fragment length polymorphism (AFLP). Plants from distinct populations found in the State of São Paulo, Brazil, had their genetic diversity characterized by using three primer combinations. The number of polymorphic bands obtained reached 184 and the base pair length of bands ranged from 75 to 350, with average PIC values of 0.418. Accessions from the Aguas de Santa Barbara population presented the highest percentage of polymorphic loci (89.76%), followed by the populations of Catanduva (84.24%), Jales (80.98%), Jurucê (78.80%) and Taquaritinga (70.65%). Plants collected from the populations of Taquaritinga and Jales presented the smallest and highest genetic diversities, respectively, measured by using both Nei's genetic variability index (h = 0.2242 and 0.2973) and Shannon's index (I = 0.3359 and 0.4319). The results obtained indicated that 73.1% of genetic variability corresponds to intrapopulational variation and 26.8% to variation among populations. The clustering dendrogram using Jacquard showed four clusters. Three clusters with low genetic diversity grouped most of individuals collected in distinct regions (63.3% JU, 47.0% JA and 82.5% TA) and the fourth with the higher genetic diversity was composed with basically individuals collected in CA and AS, but it also had samples collected in JU, JA and TA, where it is possible to select individuals to be included in breeding programs.     

Coupling in situ experiments and modeling – Opportunities for data fusion,machine learning,and discovery of emergent behavior

This paper reviews recent studies, that not only includes both experiments and modeling components, but celebrates a close coupling between these techniques, in order to provide insights into the plasticity and failure of polycrystalline metals. Examples are provided of studies across multiple-scales, including, but not limited to, density functional theory combined with atom probe tomography, molecular dynamics combined with in situ transmission electron miscopy, discrete dislocation dynamics combined with nanopillars experiments, crystal plasticity combined with digital image correlation, and crystal plasticity combined with in situ high energy X-ray diffraction. The close synergy between in situ experiments and modeling provides new opportunities for model calibration, verification, and validation, by providing direct means of comparison, thus removing aspects of epistemic uncertainty in the approach. Further, data fusion between in situ experimental and model-based data, along with data driven approaches, provides a paradigm shift for determining the emergent behavior of deformation and failure, which is the foundation that underpins the mechanical behavior of polycrystalline materials.     

Fatigue life improvement of 12Cr1МoV steel by irradiation with Zr+ ion beam

Cyclic tension and bend tests were performed on heat-resistant 12Cr1MoV steel specimens in as-supplied condition as well as after Zr⁺ ion beam surface irradiation. Distinct differences in strain induced relief, as well in cracking pattern of modified surface layer were observed by optical microscopy and interference profilometry. Changes in subsurface layer are characterized by means of nano- and microindentation and fractography of fracture surfaces (with the help of scanning electron microscopy). It is shown that the main influence on mechanical properties is mostly induced by thermal treatment during irradiation rather than formation of a 2 μm thick layer doped with Zr. The differences in deformation behavior may be explained by physical mesomechanics concepts.     

Geopolymer concrete-filled pultruded composite beams – Concrete mix design and application

The limited research on the geopolymer concrete mix design for targeting a specific strength is identified an obstacle for their effective design and wide use. In this paper, a mix design procedure has been proposed for fly-ash based geopolymer concrete and its use as infill hybrid composite beam is investigated. Then, the structural performance of geopolymer concrete filled hybrid composite beam is investigated to determine their possible application in civil infrastructure. Firstly, a detailed procedure of mix design for fly-ash based geopolymer concrete is presented. Secondly, three hybrid beams filled with geopolymer concrete were prepared and tested in a four-point bending setup to evaluate their flexural modulus and modulus of rupture. Numerical and analytical evaluation of the behaviour of hybrid beam were performed and results showed a good agreement with the experimental investigation. Thirdly, the suitability of the beam for a composite railway sleeper is evaluated and compared with existing timber and composite sleepers. Finally, the beams’ performance in a ballast railway track is analysed using Strand7 finite element simulation software and the results showed that the new concept of using geopolymer concrete as infill to pultruded composite section satisfied the stiffness and strength requirements for a railway sleeper.     

A Novel Beam Search to Improve Neural Machine Translation for English-Chinese

Neural Machine Translation (NMT) is an end-to-end learning approach for automated translation, overcoming the weaknesses of conventional phrase-based translation systems. Although NMT based systems have gained their popularity in commercial translation applications, there is still plenty of room for improvement. Being the most popular search algorithm in NMT, beam search is vital to the translation result. However, traditional beam search can produce duplicate or missing translation due to its target sequence selection strategy. Aiming to alleviate this problem, this paper proposed neural machine translation improvements based on a novel beam search evaluation function. And we use reinforcement learning to train a translation evaluation system to select better candidate words for generating translations. In the experiments, we conducted extensive experiments to evaluate our methods. CASIA corpus and the 1,000,000 pairs of bilingual corpora of NiuTrans are used in our experiments. The experiment results prove that the proposed methods can effectively improve the English to Chinese translation quality.     

Occurrence and diversity of Listeria spp. in seafood processing plant environments

Listeria contamination in processing plant environments is a major issue for the seafood industry worldwide; faster and more reliable results are therefore desired for early detection and monitoring of environmental Listeria spp. This study aimed to gain a better understanding of the prevalence and diversity of Listeria spp., and to evaluate a rapid detection method, the 3M Molecular Detection Assay (MDA) Listeria, for its ability to detect Listeria spp. in environmental samples from seafood processing plants. Duplicate environmental sponge samples (n = 444) were collected from 152 different sites within three seafood processing plants, and analyzed for Listeria spp. by the MDA method (after 26 and 48 h of enrichment) and the U.S. Food and Drug Administration Bacteriological Analytical Manual method. Overall, detection of Listeria spp. by the two methods did not differ significantly (p > 0.05); 11 (4.9%) and 13 (5.9%) samples were positive for Listeria spp. by the MDA and FDA-BAM method, respectively. The sensitivity of the MDS was 87.0% (95% CI: 77.4–96.6%), specificity was 97.6% (95% CI: 95.5–99.7%), accuracy was 95.3%, and the positive predictive value was 89.4% (95% CI: 80.5–98.2%). Classification of 19 Listeria isolates by partial SigB sequencing analysis identified three allelic types. Twelve of these isolates were ATs 58 and 60 which were classified as Listeria monocytogenes lineage I and serotypes 1/2b, 3b, 4b, 4d, 4e, by multiplex-PCR serotyping. Six Listeria isolates were classified as Listeria innocua (AT31). Our data show that the 3M Molecular Detection Assay Listeria provides rapid and reliable results for detection and monitoring of Listeria spp., which are important for seafood processing plants. Effective Listeria monitoring programs will allow for improved development of Listeria control measures in order to minimize cross-contamination in finished products.     

Grain size dependence of hardness in nanocrystalline silicon carbide

The response of nanocrystalline silicon carbide (nc-SiC) to nanoindentation is investigated using molecular dynamics (MD) simulation. It is found that the hardness of the nc-SiC decreases with decreasing grain size, showing an inverse Hall-Petch relationship. The behavior is primarily attributed to the reduced number of intact covalent bonds with grain refinement. Dislocation nucleation and growth in nc-SiC are strongly suppressed by the grain boundaries (GBs). In addition to the dislocation region in the grains, the indentation-induced amorphization of nanograins proceeds preferentially from the GBs, leading to grain shrinkage until the grains are fully amorphized. The results provide an improved understanding of the mechanical properties in nc-SiC and other nanostructured covalent materials.