A theory of finite tensile deformation of double-network hydrogels

A continuum damage model was developed to describe the finite tensile deformation of tough double-network (DN) hydrogels synthesized by polymerization of a water-soluble monomer inside a highly crosslinked rigid polyelectrolyte network. Damage evolution in DN hydrogels was characterized by performing loading-unloading tensile tests and oscillatory shear rheometry on DN hydrogels synthesized from 3-sulfopropyl acrylate potassium salt (SAPS) and acrylamide (AAm). The model can explain all the mechanical features of finite tensile deformation of DN hydrogels, including idealized Mullins effect and permanent set observed after unloading, qualitatively and quantitatively. The constitutive equation can describe the finite elasto-plastic tensile behavior of DN hydrogels without resorting to a yield function. It was showed that tensile mechanics of DN hydrogels in the model is controlled by two material parameters which are related to the elastic moduli of first and second networks. In effect, the ratio of these two parameters is a dimensionless number that controls the behavior of material. The model can capture the stable branch of material response during neck propagation where engineering stress becomes constant. Consistent with experimental data, by increasing the elastic modulus of the second network the finite tensile behavior of the DN hydrogel changes from necking to strain hardening.     

Influence of oxygen on soot formation during acetylene pyrolysis

Kinetic modeling of pyrolysis of acetylene diluted with argon showed a strong influence of small additives of oxygen on the routes of formation of soot nuclei. The influence of oxygen on various channels of formation and consumption of propargyl radicals C₃H₃, which are important precursors of soot formation, as well as the fundamental possibility of controlling the process of soot formation and its properties are considered.     

数学建模对高中生构建数学底层思维的作用及其教学实施建议

数学底层思维即用数学的眼光观察世界、用数学的思维分析世界以及用数学的语言表达世界,是人们面对自然和社会中纷繁多样的现象和问题时,所展现的自发的、不依赖监督的、融汇数学学科核心素养的思维方式.作为国家高中新课程标准中数学六大核心素养之一的数学建模,是培养学生数学底层思维的良好载体,对人才培养和社会发展均起到良好的促进作用.本文主要阐述了数学建模对高中生构建数学底层思维的作用,并结合教学实例给出教学实施建议.     

An improved depth-averaged nonhydrostatic shallow water model with quadratic pressure approximation

Phase-resolved information is necessary for many coastal wave problems, for example, for the wave conditions in the vicinity of harbor structures. Two-dimensional (2D) depth-averaging shallow water models are commonly used to obtain a phase-resolved solution near the coast. These models are in general more computationally effective compared with computational fluid dynamics software and will be even more capable if equipped with a parallelized code. In the current article, a 2D wave model solving the depth-averaged continuity equation and the Euler equations is implemented in the open-source hydrodynamic code REEF3D. The model is based on a nonhydrostatic extension and a quadratic vertical pressure profile assumption, which provides a better approximation of the frequency dispersion. It is the first model of its kind to employ high-order discretization schemes and to be fully parallelized following the domain decomposition strategy. Wave generation and absorption are achieved with a relaxation method. The simulations of nonlinear long wave propagations and transformations over nonconstant bathymetries are presented. The results are compared with benchmark wave propagation cases. A large-scale wave propagation simulation over realistic irregular topography is shown to demonstrate the model's capability of solving operational large-scale problems.     

The recent progress of functionally graded CNT reinforced composites and structures

In the last decade,the functionally graded carbon nanotube reinforced composites(FG-CNTRCs)have attracted considerable interest due to their excellent mechanical properties,and the structures made of FG-CNTRCs have found broad potential applications in aerospace,civil and ocean engineering,automotive industry,and smart structures.Here we review the literature regarding the mechanical analysis of bulk CNTR nanocomposites and FG-CNTRC structures,aiming to provide a clear picture of the mechanical modeling and properties of FG-CNTRCs as well as their composite structures.The review is organized as follows:(1)a brief introduction to the functionally graded materials(FGM),CNTRCs and FG-CNTRCs;(2)a literature review of the mechanical modeling methodologies and properties of bulk CNTRCs;(3)a detailed discussion on the mechanical behaviors of FG-CNTRCs;and(4)conclusions together with a suggestion of future research trends.     

Modeling the drying of ultrasound and glucose pretreated sweet potatoes: The impact on phytochemical and functional groups

The influence of ultrasonic frequency (20 kHz) and glucose pretreatments either alone or in combination on the drying of sweet potato slices (3 mm) using a hot-air dryer at 60 °C was tested to study the kinetics modeling, phytochemicals, antioxidant activities, and functional and textural changes of the final dried product. The results indicated that total phenolic content and total flavonoid content were significantly higher in glucose-pretreated samples while antioxidant activities were higher in ultrasound- and glucose-pretreated samples. For vitamin C, much degradation occurred in the glucose-pretreated samples when compared with the other pretreated samples apart from the control. Enzymatic browning made a minor contribution to the ultrasound/glucose-pretreated samples, while no significant differences were noted in the glucose-pretreated samples. A modified Henderson and Pabis (MHP) model, followed by the two-term and Hii models, fitted best among the 15 selected mathematical models. Fourier Transform Infrared Spectroscopy (FTIR) analysis revealed the presence of glucose, phenols, and flavonols in all samples. Microstructural analysis confirmed the hardness (N) in the final glucose-pretreated samples due to glucose layers and less cell damage.     

What is the form of muscimol from fly agaric mushroom (Amanita muscaria) in water? An insight from NMR experiment supported by molecular modeling

The biologically active alkaloid muscimol is present in fly agaric mushroom (Amanita muscaria), and its structure and action is related to human neurotransmitter _γ-aminobutyric acid (GABA). The current study reports on determination of muscimol form present in water solution using multinuclear ¹H and ¹³C nuclear magnetic resonance (NMR) experiments supported by density functional theory molecular modeling. The structures of three forms of free muscimol molecule both in the gas phase and in the presence of water solvent, modeled by polarized continuous model, and nuclear magnetic isotropic shieldings, the corresponding chemical shifts, and indirect spin–spin coupling constants were calculated. Several J-couplings observed in proton and carbon NMR spectra, not available before, are reported. The obtained experimental spectra, supported by theoretical calculations, favor the zwitterion form of muscimol in water. This structure differs from NH isomer, previously determined in dimethyl sulfoxide (DMSO) solution. In addition, positions of signals C3 and C5 are reversed in both solvents.     

A differential-equation-based model of the glass ceiling in career progression

ABSTRACT

We introduce a model based on Ordinary Differential Equations to describe how two mutually exclusive groups progress through a career hierarchy, whether in a single organization, or in an entire economic sector. The intended application is to gender imbalance at the top of the academic hierarchy in European Universities; however, the model is entirely generic and may be applied in other contexts also. Previous research on gender imbalance in European universities has focused on large-scale statistical studies. Our model represents a point of departure, as it is deterministic (i.e., based on Ordinary Differential Equations). The model requires a precise definition of the progression rates for the different groups through the hierarchy; these are key parameters governing the dynamics of career progression. The progression rate for each group can be decomposed into a product: the proportion of group members at a low level in the hierarchy who compete for promotion to the next level a given year, multiplied by the in-competition success rate for the group in question. Either of these two parameters can differ across the groups under consideration; this introduces a group asymmetry into the organization’s composition. We introduce a glass-ceiling index to summarize this asymmetry succinctly. Using case studies from the literature, we demonstrate how the mathematical framework can pinpoint the proximate cause of the glass ceiling in European academia.     

Something out of nothing: a Bayesian learning computational model for the social construction of value

ABSTRACT

This article develops a formalism for the social construction of value. Using a model based on Bayesian agents, it demonstrates how “something” arises out of “nothing” via the emergence of durable value conventions and shows how the developed framework can be used to investigate socially constructed valuations under a variety of circumstances. The resulting analysis clarifies why assumptions that collectives will converge upon the “intrinsic” (i.e., non-socially originating) value of an object (e.g., market efficiency) may not hold for mixed social and non-social valuation regimes, explains the dependency of socially constructed valuations on early accidents, demonstrates the effects of confident actors on constructed values, and identifies the production of time-dependent ratcheting effects from the interaction of bubbles with value conventions.     

d-Xylose-based surfactants: Synthesis,characterization and molecular modeling studies

Pentose-derived surfactants were easily synthesized and fully characterized through classical analytical methods. The interfacial behaviors revealed the importance of both the length of the hydrophobic chain and the nature of the anomeric form. Finally, the spatial conformation of four xylosides was obtained by molecular modeling with software Hyperchem^® 4 using the semi-empirical method PM3, which demonstrated the role of hydrophobic interactions in the stability of the compounds.