Design of silicone rubber according to requirements based on the multi-objective optimization of chemical reactions

The explicit expression between composition and mechanical properties of silicone rubber was derived from the physics of polymer elasticity, the implicit expression among material composition, reaction conditions and reaction efficiency was obtained from chemical thermodynamics and kinetics, and then an implicit multi-objective optimization model was constructed. Genetic algorithm was applied to optimize material composition and reaction conditions, and the finite element method of cross-linking reaction processes was used to solve multi-objective functions, on the basis of which a new optimization methodology of crosslinking reaction processes was established. Using this methodology, rubber materials can be designed according to pre-specified requirements.

Conformation studies on sol-gel transition in triblock copolymer solutions

The gelation of physically associating triblock copolymers in a good solvent was investigated by means of the Monte Carlo simulation and a gelation process based on the conformation transition of the copolymer that was described in detail. In our simulative system, it has been found that the gelation is closely related with chain conformations, and there exist four types of chains defined as free, dangling, loop, and bridge conformations. The copolymer chains with different conformations contribute to the formation of gel in different ways. We proposed a conformational transition model, by which we evaluated the role of these four types of chains in sol-gel transition. It was concluded that the free chains keeping the conformation transition equilibrium and the dangling conformation being the hinge of conformation transition, while the chain with loop conformation enlarges the size of the congeries and the chain with bridge conformations binds the congeries consisted of the copolymer chains. In addition, the effects of temperature and concentration on the physical gelation, the association of the copolymer congeries, and the copolymer chain conformations' distribution were discussed.

Reversibly strain-tunable elastomeric photonic crystals

Reversibly strain-tunable polymeric photonic crystals made of thermoplastic polyester elastomer (TPEE) were fabricated by using the self-assembled silica opals as templates. The stop band of the polymeric photonic crystal locates at the near infrared (IR) regime in its transmission spectrum, and exhibits a blue shift with the increase of the incident angle. Because of the elasticity of the TPEE, the stop band of the TPEE photonic crystal can also be reversibly tuned at ambient temperature through to and fro uniaxially or biaxially stretching and recovering by changing the lattice spacing and the symmetry of the crystal along (1 1 1) plane.

Low-compressibility and hard materials ReB2 and WB2: Prediction from first-principles study

First-principle calculations are performed to investigate the structural, elastic, and electronic properties of ReB2 and WB2. The calculated equilibrium structural parameters of ReB2 are consistent with the available experimental data. The calculations indicate that WB2 in the P6(3)/mmc space group is more energetically stable under the ambient condition than in the P6/mmm. Based on the calculated bulk modulus, shear modulus of polycrystalline aggregate, ReB2 and WB2 can be regarded as potential candidates of ultra-incompressible and hard materials. Furthermore, the elastic anisotropy is discussed by investigating the elastic stiffness constants. Density of states and electron density analysis unravel the covalent bonding between the transition metal atoms and the boron atoms as the driving force of the high bulk modulus and high shear modulus as well as small Poisson's ratio.

A polymer composite film with reversible responsive behaviors

A responsive polymer composite film was generated by the use of reversibly switchable Surface morphology of polystyrene-block-poly(methyl methacrylate) (PS-b-PMMA) films in response to different block selective solvents on the rough isotactic poly(propylene) (i-PP) substrate. The Maximum difference of the water contact angle of the composite films increased from 22.6 degrees of PS-b-PMMA films on the smooth substrate to 42.6 degrees when they were treated by PS and PMMA selective solvents, respectively. The mechanisms of the responsive extent enhanced and the superhydrophobicity of the composite films were discussed in detail.

Synthesis and characterization of network liquid crystal elastomers and thermosets

A new series of network liquid crystal polymers were synthesized by graft copolymerization of the difunctional mesogenic monomer 4-allyloxy-benzoyloxy-4'-allyloxybiphenyl (M) upon polymethylhydrosiloxane (PMHS). Monomer M acted not only as a mesogenic unit but also as a crosslinker for the network polymers. The chemical structures of the polymers were confirmed by IR spectroscopy. DSC, TGA, and X-ray scattering were used to measure their thermal properties and mesogenic properties. The glass transition temperature (T-g) of these network liquid crystal polymers was increased when the monomer was increased, and T-d (temperature of 5% weight loss) at first went up and reached a maximum at P, then went down. The slightly crosslinked polymers (P, P,) show rubber-like elasticity, so it was called liquid-crystal elastomer. Network polymers will lose elasticity property with a highly crosslinked degree, and turn into thermosetting polymers (P-4, P-5). All polymers exhibited a smectic texture by X-ray scattering.

Study on polymer micelles of hydrophobically modified ethyl hydroxyethyl cellulose using single-molecule force spectroscopy

Individual hydrophobically modified ethyl hydroxyethyl cellulose (HM-EHEC) molecules under different conditions were elongated using a new atomic force microscope (AFM) based technique-single-molecule force spectroscopy (SMFS). The critical concentration of HM-EHEC for micelle-like clusters at a solid/liquid interface was around 0.8 wt %, which is lower than that in solution. The different mechanical properties of HM-EHEC below and above the critical concentration were displayed on force-extension curves. Through a comparison with unmodified hydroxyethyl cellulose, substituent-induced effects on nanomechanical features of HM-EHEC were investigated. Because of hydrophobic interactions and cooperative binding with the polymer, surfactants such as sodium dodecyl sulfate (SDS) dramatically influence the elastic properties of HM-EHEC below the critical concentration, and further addition of SDS reduces the interactions between the hydrophobic groups and the surfactant.

Rheological studies on the phase dissolution in a block copolymer

The microphase transition in a styrene-butadiene-styrene triblock copolymer was studied by rheometric mechanical spectroscopy. A high-temperature-melt rheological transition from the highly elastic, nonlinear viscous behavior typical of a multiphase structure to linear viscous behavior with insignificant elasticity typical of a single-phase structure was observed. The transition temperature is determined according to the discontinuity of the rheological properties across the transition region, which agrees well with the results obtained from the small angle X-ray scattering data and the expectation of the random phase approximation theory. Maybe for the first time, microphase dissolution was investigated theologically. The storage modulus (G') and the loss modulus (G '') increase with time during the process. An entanglement fluctuation model based on the segmental density fluctuations is presented to explain the rheological behavior in this dissolution process. (C) 1997 John Wiley & Sons.

Bioorganic/inorganic hybrid composition of sponge spicules: Matrix of the giant spicules and of the comitalia of the deep sea hexactinellid Monorhaphis

The giant basal spicules of the siliceous sponges Monorhaphis chuni and Monorhaphis intermedia (Hexactinellida) represent the largest biosilica structures on earth (up to 3 m long). Here we describe the construction (lamellar organization) of these spicules and of the comitalia and highlight their organic matrix in order to understand their mechanical properties. The spicules display three distinct regions built of biosilica: (i) the outer lamellar zone (radius: >300 mu m), (ii) the bulky axial cylinder (radius: <75 mu m), and (iii) the central axial canal (diameter: <2 mu m) with its organic axial filament. The spicules are loosely covered with a collagen net which is regularly perforated by 7-10 mu m large holes; the net can be silicified. The silica layers forming the lamellar zone are approximate to 5 mu m thick; the central axial cylinder appears to be composed of almost solid silica which becomes porous after etching with hydrofluoric acid (HF). Dissolution of a complete spicule discloses its complex structure with distinct lamellae in the outer zone (lamellar coating) and a more resistant central part (axial barrel). Rapidly after the release of the organic coating from the lamellar zone the protein layers disintegrate to form irregular clumps/aggregates. In contrast, the proteinaceous axial barrel, hidden in the siliceous axial cylinder, is set up by rope-like filaments. Biochemical analysis revealed that the (dominant) molecule of the lamellar coating is a 27-kDa protein which displays catalytic, proteolytic activity. High resolution electron microscopic analysis showed that this protein is arranged within the lamellae and stabilizes these surfaces by palisade-like pillars. The mechanical behavior of the spicules was analyzed by a 3-point bending assay, coupled with scanning electron microscopy. The load-extension curve of the spicule shows a biphasic breakage/cracking pattern. The outer lamellar zone cracks in several distinct steps showing high resistance in concert with comparably low elasticity, while the axial cylinder breaks with high elasticity and lower stiffness. The complex bioorganic/inorganic hybrid composition and structure of the Monorhaphis spicules might provide the blueprint for the synthesis of bio-inspired material, with unusual mechanical properties (strength, stiffness) without losing the exceptional properties of optical transmission. (C) 2007 Elsevier Inc. All rights reserved.

Effective properties of spherically anisotropic piezoelectric composites

Piezoelectric composites consisting of spherically anisotropic piezoelectric inclusions (i.e., piezoceramic material) in an infinite nonpiezoelectric matrix under a uniform electric field are theoretically investigated. Analytical solutions for the elastic displacements and the electric potentials are derived exactly. Taking account of the coupling effects of elasticity, permittivity, and piezoelectricity, formulas are derived for the effective dielectric and piezoelectric responses in the dilute limit. A piezoelectric response mechanism is revealed, in which the effective piezoelectric response vanishes irrespective of how much spherically anisotropic piezoelectric inclusions are inside. Moreover, the effective coupled responses of the piezoelectric composites show that the effective dielectric responses decrease (increase) as the inclusion elastic (piezoelectric) constants increase.

3自由度并联柔索驱动变刚度操作臂的刚度控制

利用柔索的弹性及驱动冗余性构造了一种3自由度并联柔索驱动变刚度操作臂,在静力学与刚度分析的基础上,进行刚度控制研究。首先,将柔索驱动力映射到关节空间,并分析等效关节力与柔索张力和外力的关系, 提出该操作臂的三维力矢量闭合原理。根据微分变换原理进行刚度分析,得到关节刚度矩阵及操作手刚度矩阵, 并进行数值算例分析,结果表明:刚度与柔索的张力有关,调节柔索张力可以改变系统刚度。最后,采用位置与张力混合控制的策略,对该变刚度操作臂进行了刚度控制,并进行了仿真验证。

基于窗口精细结构描述的岩体质量评价及力学参数综合优选

This thesis bases on horizontal research project “The research about the fine structure and mechanical parameters of abutment jointed rock mass of high arch dam on Jinping Ⅰ Hydropower Station, Yalong River” and “The research about the fine structure and mechanical parameters of the columnar basalt rock mass on Baihetan Hydropower Station, Jinsha River”. A rounded system about the fine structure description and rock mass classification is established. This research mainly contains six aspects as follow: (1) Methods about fine structure description of the window rock mass; (2) The window rock mass classification about the fine structure; (3) Model test study of intermittent joints; (4) Window rock mass strength theory; (5) Numerical experimentations about window rock mass; (6) The multi-source fusion of mechanical parameters based on Bayes principle. Variation of intact rock strength and joint conditions with the weathering and relaxation degree is studied through the description of window rock mass. And four principal parameters: intact rock point load strength, integration degree of window rock mass, joint conditions, and groundwater condition is selected to assess the window rock mass. Window rock mass is classified into three types using the results of window rock mass fine structure description combined with joints develop model. Scores about intact rock strength, integrality condition, divisional plane condition and groundwater conditions are given based on window rock mass fine structure description. Then quality evaluation about two different types of rock mass: general joint structure and columnar jointing structure are carried out to use this window rock mass classification system. Application results show that the window rock mass classification system is effective and applicable. Aimed at structural features of window structure of “the rock mass damaged by recessive fracture”, model tests and numerical models are designed about intermittent joints. By conducting model tests we get shear strength under different normal stress in integrated samples, through samples and intermittent joints samples. Also, the changing trends of shear strength in various connectivity rates are analyzed. We numerically simulate the entire process of direct shear tests by using PFC2D. In order to tally the stress-strain curve of numerical simulation with experimental tests about both integrated samples and through samples, we adjust mechanical factors between particles. Through adopting the same particle geometric parameter, the numerical sample of intermittent joints in different connective condition is re-built. At the same time, we endow the rock bridges and joints in testing samples with the fixed particle contacting parameters, and conduct a series of direct shear tests. Then the destructive process and mechanical parameters in both micro-prospective and macro-prospective are obtained. By synthesizing the results of numerical and sample tests and analyzing the evolutionary changes of stress and strain on intermittent joints plane, we conclude that the centralization of compressive stress on rock bridges increase the shear strength of it. We discuss the destructive mechanics of intermittent joints rock under direct shear condition, meanwhile, divide the whole shear process into five phases, which are elasticity phase, fracture initiation phase, peak value phase, after-peak phase and residual phase. In development of strength theory, the shear strength mechanisms of joint and rock bridge are analyzed respectively. In order to apply the deducted formulation conveniently in the real projects, a relationship between these formulations and Mohr-Coulomb hypothesis is built up. Some sets of numerical simulation methods, i.e. the distinct element method (UDEC) based on in-situ geology mapping are developed and introduced. The working methods about determining mechanical parameters of intact rock and joints in numerical model are studied. The operation process and analysis results are demonstrated detailed from the research on parameters of rock mass based on numerical test in the Jinping Ⅰ Hydropower Station and Baihetan Hydropower Station. By comparison，the advantages and disadvantages are discussed. Results about numerical simulation study show that we can get the shear strength mechanical parameters by changing the load conditions. The multi-source rock mass mechanical parameters can be fused by the Bayes theory, which are test value, empirical value and theoretical value. Then the value range and its confidence probability of different rock mass grade are induced and these data supports the reliability design.

复杂介质中地震波场数值模拟研究——基于广义正交多项式迭积微分算子法

In this paper, we propose a new numerical modeling method – Convolutional Forsyte Polynomial Differentiator (CFPD), aimed at simulating seismic wave propagation in complex media with high efficiency and accuracy individually owned by short-scheme finite differentiator and general convolutional polynomial method. By adjusting the operator length and optimizing the operator coefficient, both global and local informations can be easily incorporated into the wavefield which is important to invert the undersurface geological structure. The key issue in this paper is to introduce the convolutional differentiator based on Forsyte generalized orthogonal polynomial in mathematics into the spatial differentiation of the first velocity-stress equation. To match the high accuracy of the spatial differentiator, this method in the time coordinate adopts staggered grid finite difference instead of conventional finite difference to model seismic wave propagation in heterogeneous media. To attenuate the reflection artifacts caused by artificial boundary, Perfectly Matched Layer (PML) absorbing boundary is also being considered in the method to deal with boundary problem due to its advantage of automatically handling large-angle emission. The PML formula for acoustic equation and first-order velocity-stress equation are also derived in this paper. There is little difference to implement the PML boundary condition in all kind of wave equations, but in Biot media, special attenuation factors should be taken. Numerical results demonstrate that the PML boundary condition is better than Cerjan absorbing boundary condition which makes it more suitable to hand the artificial boundary reflection. Based on the theories of anisotropy, Biot two-phase media and viscous-elasticity, this paper constructs the constitutive relationship for viscous-elastic and two-phase media, and further derives the first-order velocity-stress equation for 3D viscous-elastic and two-phase media. Numerical modeling using CFPD method is carried out in the above-mentioned media. The results modeled in the viscous-elastic media and the anisotropic pore elastic media can better explain wave phenomena of the true earth media, and can also prove that CFPD is a useful numerical tool to study the wave propagation in complex media.

非饱和膨胀土力学特性及其工程处置研究

The unsaturated expansive soil is a hotspot and difficulty in soil mechanics inland and outland. The expansive soil in our China is one of the widest in distributing and greatest in area, and the disaster of expansive soil happens continually as a result. The soil mechanics test, monitor, numerical simulation and engineering practice are used to research swell and shrinkage characteristic, edge strength characteristic and unsaturated strength characteristic of Mengzi expansive soil. The seep and stability of the slope for expansive soil associated with fissure are analyzed and two kinds of new technique are put forward to be used in expansive soil area, based on disaster mechnics proposed of the slope.The technique of reinforcement in road embankment is optimized also. Associated with engineering geology research of Mengzi expansive soil, mineral composition, chemical composition, specific area and cation content, dissolubility salt and agglutinate, microcosmic fabric characteristic, cause of formation and atmosphere effect depth are analyzed to explain the intrinsic cause and essence of swell and shrinkage for expansive soil. The rule between swell-shrinkage and initial state, namely initial water content, initial dry density and initial pressure, can be used to construction control. Does Response model is fit to simulate the rule, based on ternary regression analysis. It has great meaning to expansive soil engineering in area with salt or alkali. The mechanics under CD, CU and GCU of expansive soil is researched by edge surface theory to explain the remarkable effect of consolidation pressure, initial dry density, initial water content, cut velocity, drainage and reinforcement to the edge strength characteristic. The infirm hardening stress strain curves can be fitted with hyperbola model and the infirm softening curves can be fitted with exponential model. The normalization theory can be used to reveal the intrinsic unity of the otherness which is brought by different methods to the shear strength of the same kinds of samples. The unsaturated strain softening characteristic and strength envelope of remolding samples are researched by triaxial shear test based on suction controlled, the result of which is simulated by exponential function. The strength parameters of the unsaturated samples are obtained to be used in the unsaturated seep associated with rainfall. The elasticity and plasticity characters of expansive soil are researched to attain the model parameters by using modified G-A model. The humidification destroy characteristic of expansive soil is discussed to research the disaster mechanism of the slope with the back pressure increasing and suction decreasing under bias pressure consolidation. The indoor and outdoor SWCCs are measured to research the effect factors and the rule between different stress and filling environment. The moisture absorption curves can express the relationship between suction and water content in locale. The SWCCs of Mengzi expansive soil are measured by GDS stress path trixial system. The unsaturated infiltration function is gained to research seep and stability of the slope of expansive soil. The rainfall infiltration and ability of slope considering multifarious factors are studied by analyzing fissure cause of Mengzi expansive soil. The mechanism of the slope disaster is brought forward by the double controlling effect between suction and fissure. Two new kinds of technique are put forward to resolve disaster of expansive soil and the technique of reinforcement on embankment is optimized, which gives a useful help to solving engineering trouble.

岩石类材料静态、动态拉伸弹性模量测试方法研究——以巴西圆盘试验和霍普金森压杆、效应为手段

As we all know, rock-like materials will absolutely show very different mechanical properties under the compressive stress and tensile stress respectively. Similarly, under the dynamic compressive stress or dynamic tensile stress, the characteristics of the dynamics showed by the rock-like materials also have great differences from the mechanical behavior under static force. Studying their similarities and differences in rock mechanics theory and practical engineering will be of great significance. Generally, there are compression modulus of elasticity and tensile modulus of elasticity corresponding to compressive stress state and the tensile stress state in the rock. Both the two kinds of elastic modulus play an extremely important role in calculation of engineering mechanics. Their reliability directly affects the accuracy and reliability of the calculation results of internal stress field and displacement field of engineering rock mass. At present, it is easy to obtain the compression modulus of elasticity in laboratory; but it is very difficult to determine the tensile modulus of elasticity with direct tensile test due to that direct tensile test is difficult to perform in laboratory in general. In order to solve this problem, this thesis invents and develops several indirect test methods to determine the static or dynamic tensile modulus of elasticity of rock-type materials with high reliability and good interoperability. For the static tensile modulus of elasticity, the analytical stress field solution has been given out for the Brazilian disc under the radial and linear concentration load with Airy stress function method. At the same time, the stress field has been modeled for the Brazilian disc test by using the finite element software of ANSYS and ADINA. The analytical stress field solution is verified to be right by comparatively researching the analytical stress field solution and the numerical stress field solution. Based on the analytical stress field solution, this thesis proposes that a strain gauge is pasted at the Brazilian disc center along the direction perpendicular to the applied force to indirectly determine the static tensile modulus of elasticity, and related measurement theory also has been developed. The method proposed here has good feasibility and high accuracy verified by the experimental results. For the dynamic tensile modulus of elasticity, two measuring methods and theories are invented here. The first one is that the Split Hopkinson Pressure Bar is used to attract the Brazilian disc to generate the dynamic load, make the dynamic tensile stress is formed at the Brazilian disc center; and also a strain gauge is pasted at the Brazilian disc center to record the deformation. The second is that, in the Hopkinson effect phenomenon, the reflection tensile stress wave is formed when the shock wave propagates to the free end of cylindrical rock bar and reflect, which can make the rock bar is under dynamic tensile stress state; and some strain gauges are pasted at the appropriate place on the rock bar to record the strain coursed by the tensile or compressive stress wave. At last, the dynamic tensile modulus of elasticity can be determined by the recorded strain and the dynamic tensile stress which can be determined by related theories developed in this thesis.