Preparation and characterization of Fe‐Tetranitro phthalocyanine/polyurethane blends

In this article, Fe‐Tetranitro phthalocyanine (Fe‐TNPc)/polyurethane (PU) blends were prepared by solution blending. The mechanical properties of the samples were studied by tensile tests. The results showed that the tensile strength and the elongation at break of the samples increased with increasing Fe‐TNPc content. The improved mechanical properties for the samples containing Fe‐TNPc was attributed to the increased microphase separation degree of PU, which was further investigated by dynamic mechanical analysis (DMA) and Fourier transform infrared analysis. The lower T_g of the soft segments and the higher T_g of the hard segments for the samples containing Fe‐TNPc indicated an increase of microphase separation degree of PU. The increased hydrogen bonded carbonyl groups in the samples with increasing Fe‐TNPc content also proved the conclusion. Quantitative evaluation of the interaction between Fe‐TNPc and PU was also investigated by analyzing the physical crosslinking density of the samples. The results indicated that the physical crosslinking density of the samples increased with increasing Fe‐TNPc content. The antibacterial properties of the samples were investigated. The results showed that the percentage bacterial inactivation toward S. aureus and E. coli of the samples were 98.9% and 90.9%, respectively, when Fe‐TNPc was added to 1%. © 2014 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2015 , 132, 41284.     

The organization of biological sequences into constrained and unconstrained parts determines fundamental properties of genotype–phenotype maps

Biological information is stored in DNA, RNA and protein sequences, which can be understood as genotypes that are translated into phenotypes. The properties of genotype–phenotype (GP) maps have been studied in great detail for RNA secondary structure. These include a highly biased distribution of genotypes per phenotype, negative correlation of genotypic robustness and evolvability, positive correlation of phenotypic robustness and evolvability, shape-space covering, and a roughly logarithmic scaling of phenotypic robustness with phenotypic frequency. More recently similar properties have been discovered in other GP maps, suggesting that they may be fundamental to biological GP maps, in general, rather than specific to the RNA secondary structure map. Here we propose that the above properties arise from the fundamental organization of biological information into ‘constrained'' and ‘unconstrained'' sequences, in the broadest possible sense. As ‘constrained'' we describe sequences that affect the phenotype more immediately, and are therefore more sensitive to mutations, such as, e.g. protein-coding DNA or the stems in RNA secondary structure. ‘Unconstrained'' sequences, on the other hand, can mutate more freely without affecting the phenotype, such as, e.g. intronic or intergenic DNA or the loops in RNA secondary structure. To test our hypothesis we consider a highly simplified GP map that has genotypes with ‘coding'' and ‘non-coding'' parts. We term this the Fibonacci GP map, as it is equivalent to the Fibonacci code in information theory. Despite its simplicity the Fibonacci GP map exhibits all the above properties of much more complex and biologically realistic GP maps. These properties are therefore likely to be fundamental to many biological GP maps.     

Sequence-Dependent Nanofiber Structures of Phenylalanine and Isoleucine Tripeptides

The molecular design of short peptides to achieve a tailor-made functional architecture has attracted attention during the past decade but remains challenging as a result of insufficient understanding of the relationship between peptide sequence and assembled supramolecular structures. We report a hybrid-resolution model to computationally explore the sequence–structure relationship of self-assembly for tripeptides containing only phenylalanine and isoleucine. We found that all these tripeptides have a tendency to assemble into nanofibers composed of laterally associated filaments. Molecular arrangements within the assemblies are diverse and vary depending on the sequences. This structural diversity originates from (1) distinct conformations of peptide building blocks that lead to different surface geometries of the filaments and (2) unique sidechain arrangements at the filament interfaces for each sequence. Many conformations are available for tripeptides in solution, but only an extended β-strand and another resembling a right-handed turn are observed in assemblies. It was found that the sequence dependence of these conformations and the packing of resulting filaments are determined by multiple competing noncovalent forces, with hydrophobic interactions involving Phe being particularly important. The sequence pattern for each type of assembly conformation and packing has been identified. These results highlight the importance of the interplay between conformation, molecular packing, and sequences for determining detailed nanostructures of peptides and provide a detailed insight to support a more precise design of peptide-based nanomaterials.     

Optimal scheduling of single stage batch plants with direct heat integration

This paper addresses the multi-objective optimization problem arising in the operation of heat integrated batch plants, where makespan and utility consumption are the two conflicting objectives. A new continuous-time MILP formulation with general precedence variables is proposed to simultaneously handle decisions related to timing, product sequencing, heat exchanger matches (selected from a two-stage superstructure) and their heat loads. It features a complex set of timing constraints to synchronize heating and cooling tasks, derived from Generalized Disjunctive Programming. Through the solution of an industrial case study from a vegetable oil refinery, we show that major savings in utilities can be achieved while generating the set of Pareto optimal solutions through the ɛ-constraint method.     

Road Extraction from High Resolution Remote Sensing Image based on Shape Analysis with Gestalt Theory

Simulating the psychological experience of human vision，a road extraction model based on the format tower is proposed to extract the road in the high resolution remote sensing image from the perspective of morphology.Firstly，based on the spectral and texture information，the suspected road targets are extracted by using segmentation technology.Then these targets are classified according to their reliability and extract the road targets for each category.Finally，three types of identified road information are verified and merged，and the continuous smooth road extraction results are obtained.Experiments on real high resolution images show that the results are consistent with the visual perception of the human eye，and the overall classification accuracy is higher，indicating that the algorithm is effective and feasible and has good use value.     

Tuning effect of silicon substitution on magnetic and high frequency electromagnetic properties of R2Fe17 and their composites

In this work, we report the tuning effect of the Si substitution on the magnetic and high frequency electromagnetic properties of R₂Fe₁₇ compounds and their paraffin composites. It is found that the introduction of Si can remarkably improve the magnetic and electromagnetic properties of the R₂Fe₁₇ compounds, making the R₂Fe_17–xSi_x-paraffin composites excellent microwave absorption materials (MAMs). By introducing the Si element, their saturation magnetizations decrease slightly, while much higher Curie temperatures are obtained. Furthermore, better impedance match is reached due to the decrease of the high-frequency permittivity ε′ by about 40%–50%, which finally enhances the performance of the microwave absorption. The peak frequency (f_RL) of the reflection loss (RL) curve moves toward high frequency domain and the qualified bandwidth (QB, RL ≤ ?10 dB) increases remarkably. The maximum QB of 3.3 GHz (12.0–15.3 GHz) is obtained for the Sm_1.5Y_0.5Fe₁₅Si₂-paraffin composite (d = 1.0 mm) and the maximum RL of ?53.6 dB is achieved for Nd₂Fe₁₅Si₂-paraffin composite (d = 2.2 mm), both surpassing most of the reported MAMs. Additionally, a distinguished dielectric microwave absorption peak is observed, which further increases the QB in these composites.     

Prediction of process parameters of water-assisted injection molding based on inverse radial basis function neural network

Because of the introduction of new processing parameters in water-assisted injection molding (WAIM), processes control has become more difficult. First, design of experiment (DOE) was carried out by using optimized Latin hypercubes (Opt LHS). On the basis of this, computational fluid dynamics (CFD) method was used to simulate and calculate hollowed core ratios and wall thickness differences of cooling water pipe at different positions. Then inverse radial basis function (RBF) neural network model reflecting the fitting relationship between processing parameters and molding quality was established, and accuracy of the model was detected by cross validation. Finally, expected molding quality was applied to predict processing parameters, and the obtained molding quality under the predicted processing parameters was verified by computer aided engineering (CAE) simulation and experimental methods. The results showed that mean relative precisions of processing parameters such as melt temperature, delay time, short shot size, water pressure, and mold temperature for inverse RBF model were 98.6%, 93.6%, 98.5%, 93.9%, and 97.9%, respectively, which met the accuracy requirements. Furthermore, compared with expected values of hollowed core ratios and wall thickness differences, the average errors of CAE and experiment were 2.3% and 4.9%, respectively.     

Mining fleet management systems: a review of models and algorithms

The objective of this paper is to review and document the mine fleet management systems’ models and algorithms. The purpose is to understand the algorithms behind the fleet management systems and the proposed academic solutions in this area to identify any gaps in the current literature and to open up opportunities to establish research questions that need to be addressed in an integrated simulation and optimisation operational planning research framework. In this paper, we review industrial fleet management systems and the main academic algorithms behind such systems. The fleet management systems are divided into three subsequently related problems to review: shortest path, production optimisation and real-time dispatching. Finally, the limitations of current algorithms for fleet management systems are documented in terms of mining practice feasibility and optimality of the solution on large-scale problems. The results of this literature review enable us to evaluate the logical links between major components of an integrated simulation and optimisation operational planning framework with current theory of fleet management systems.     

基于强化学习的电力市场信息披露程度对市场成员交易行为影响研究

基于信息披露的主体框架，分析披露体系中具体的供需信息对于市场成员的引导作用。建立日前市场的双层竞价优化模型，采用强化学习的方法，通过市场中有无关键供求信息披露对于发电商报价预期的影响，推演模拟不同信息披露程度下发电商报价行为，然后从策略演化过程、策略偏离度以及策略收敛速度3个角度进行信息披露程度对市场成员交易行为影响的定量分析，验证市场供需信息的发布程度对于市场成员的引导作用，最后基于推演结果进行总结，并对我国信息披露的建设提出建议与思考。