Molecular Simulation of Polycarbonate and Thermomechanical Analysis

2014 ◽  
Vol 556-562 ◽  
pp. 441-444
Author(s):  
Xiu Juan Wang ◽  
Xiu Ting Zheng ◽  
Wei Zheng ◽  
Si Zhu Wu

The influence of molecular structure of polycarbonate on performance was systematically investigated by both experiment and molecular simulation. Different types of polycarbonate molecular chain models were built and analyzed by molecular simulation method. By combining experimental and simulation results, it is concluded that the polycarbonate-OQ2720 has better thermal stability, mechanical properties and optical performance, which is a better choice for aviation materials and manufacturing process.

2013 ◽  
Vol 781-784 ◽  
pp. 576-579
Author(s):  
Xiu Juan Wang ◽  
Xiu Ting Zheng ◽  
Meng Song ◽  
Xiu Ying Zhao ◽  
Si Zhu Wu

This work studied the influence of different molecular structure of polycarbonate on its properties. Different types of polycarbonate molecular chain models were built by molecular simulation method. By combining experimental and molecular dynamic simulation results, it is concluded that the polycarbonate-OQ2720 has better thermal stability, mechanical properties and optical performance, which is a better choice for aviation materials and manufacturing process.


Author(s):  
Ainhoa Martinez Ormaetxea ◽  
Andreas Öchsner

The manufacturing process of bone scaffold structures has an important influence on the final mechanical strength of the structure. When the structures are not produced properly, i.e. have imperfections such as missing parts or slightly displaced joints, they lose some of their mechanical properties. The aim of this study was to see how different types of damage affect the structures and also if their effects are equal when the structure is subjected to different load conditions. The change of the mechanical behavior was determined using the commercial finite element software MSC Marc Mentat. In turn, the damage was introduced by manipulating the structure’s files (ASCII data files) using the programming language Fortran. Apart from the numerical simulations, experimental testing was also performed to verify the numerical results. In the frame of this study, useful information for further research is provided.


2012 ◽  
Vol 476-478 ◽  
pp. 730-733
Author(s):  
Zhi Dan Lin ◽  
Zi Xian Guan ◽  
Neng Sheng Liu ◽  
Zheng Jun Li

The composites of polypropylene (PP) and wasted PET fabric (WF) were prepared by extrusion blending and injection molding, and then, the interface of the composites was modified by two different types of compatibilizers, i.e., maleic anhydride grafted PP (PP-g-MA) and the mixture of methyl methacrylate (MMA) and styrene (St). The mechanical properties, morphology and thermal stability of these composites were studied.


2021 ◽  
Vol 2021 ◽  
pp. 1-19
Author(s):  
Junchao Shen

With the advantages of large anchoring force and fast anchoring speed, resin cartridge has become the main anchoring means of geotechnical engineering and underground space engineering support. Based on the theoretical analysis, it is clear that adding aggregate can improve the mechanical properties of grout and the bolt-grout interface stress state; the mechanical properties of aggregate are positively correlated with its improvement effect on anchorage performance. By using the numerical simulation method, it is concluded that the addition of steel segments into the resin grout can improve the stiffness of the anchorage system and enhance the energy absorption and antifailure ability of the anchorage system. Relying on the self-developed anchorage mixing device, the effects of steel segment diameter and addition amount on the anchoring force were studied experimentally, and the optimal addition amount of different types of steel segment to improve the maximum anchoring force was determined.


Author(s):  
Ranjit Barua ◽  
Sudipto Datta ◽  
Pallab Datta ◽  
Amit Roy Chowdhury

3D bio-printing is a revolutionary manufacturing process that is widely used in medical fields especially in preparing bone scaffolds and tissue engineering. With the help of new biocompatible material like polymers, bio-gels, ceramics, this technology has created a new site in advanced tissue engineering and scaffolds manufacturing area. Another important thing is that, with the use of CAD file software, any complex design can be prepared (i.e., this technology does not have any limited sites). But here it is very much essential to study and analyze machine printability characteristics, cross-linking time and biocompatibility of printing objects as well as bio-ink. However, mechanical properties like shear thinning, mechanical elasticity are also required. In this chapter, different types of scaffold-preparing methods and the bio-printing process are discussed, which are used in scaffold and tissue engineering.


2014 ◽  
Vol 1023 ◽  
pp. 15-18
Author(s):  
Qiang Yang ◽  
Xiao Ping Wen ◽  
Chao Ming Sun ◽  
Guang Ping Tang

The adsorption mechanisms of silicone rubber (SR)-stainless steel (SS) interfacial system and silicone rubber-HMX interfacial system were studied by molecular simulation method in the present paper. The molecular simulation results revealed that silicone rubber-stainless steel interface has obvious adsorption effect, while silicone rubber-HMX interface has certain adsorption effect. The systematic potential energy calculation results revealed that coulomb interaction and van de waals interaction might be the major microscopic adsorption mechanism for silicone rubber-stainless steel interfacial system and silicone rubber-HMX interfacial system.


2017 ◽  
Vol 2017 ◽  
pp. 1-12 ◽  
Author(s):  
Shengwei Li ◽  
Heping Xie ◽  
Ru Zhang ◽  
Mingzhong Gao ◽  
Zetian Zhang ◽  
...  

To study the micro/mesomechanical behaviors of heterogeneous geomaterials, a multiscale simulation method that combines molecular simulation at the microscale, a mesoscale analysis of polished slices, and finite element numerical simulation is proposed. By processing the mesostructure images obtained from analyzing the polished slices of heterogeneous geomaterials and mapping them onto finite element meshes, a numerical model that more accurately reflects the mesostructures of heterogeneous geomaterials was established by combining the results with the microscale mechanical properties of geomaterials obtained from the molecular simulation. This model was then used to analyze the mechanical behaviors of heterogeneous materials. Because kernstone is a typical heterogeneous material that comprises many types of mineral crystals, it was used for the micro/mesoscale mechanical behavior analysis in this paper using the proposed method. The results suggest that the proposed method can be used to accurately and effectively study the mechanical behaviors of heterogeneous geomaterials at the micro/mesoscales.


2013 ◽  
Vol 844 ◽  
pp. 217-220 ◽  
Author(s):  
Uraiwan Sookyung ◽  
Woothichai Thaijaroen ◽  
Norbert Vennemann ◽  
Charoen Nakason

Sodium-montmorillonite (Na-MMT) nanoclay was modified with different types of alkylamine organic modifier including primary and quaternary alkylamines. Influence types of alkylamine on properties of natural rubber/clay nanocomposites was investigated. It was found that organoclays caused improvement of mechanical properties of natural rubber, and accelerated vulcanization reaction with higher degree of crosslinking. In addition, organoclay modified with quaternary alkylamine showed significance cure reversion phenomenon which caused reduction of thermal stability. On the other hand, primary alkylamine modified nanoclay caused improvement of thermal stability of natural rubber. Moreover, stress relaxation was observed at the melting temperature of the modifying agent.


2014 ◽  
Vol 533 ◽  
pp. 175-180
Author(s):  
En An Chi ◽  
Chun Ming Xie ◽  
Ming Sheng Zhao ◽  
Jun Yang ◽  
Tie Jun Tao

In order to ensure one through arch rib road bridge blasting demolition will go well, using separate common node reinforced concrete model, numerical simulate the process of bridge collapsed and disintegrate, at the same time, analyze the stress state of steel and concrete unit in detail. The simulation results show that separate common node model could reflect the mechanical properties difference of steel and concrete materials; destruction of the support part of bridge and joint parts reserved , meanwhile, blasting treatment of the joint parts of derrick and arches, also arch center derrick and deck beams, arch springing hinge inside pier reserved on the left, it can ensure the bridge collapsed and broken fully, and can reduce the stack height of bridge collapsed in the river. The research considers that researching on structure collapse process by numerical simulation method not only reappear the process of collapse, but also forecast collapse result in schematic design phase. It will become the important means of study the structure mechanics process of blasting demolition and guide assisted the design of structure blasting demolition, which has important engineering practical value.


2012 ◽  
Vol 217-219 ◽  
pp. 55-58 ◽  
Author(s):  
Tao Wang ◽  
Jian Hua Zhang ◽  
Shi Mei Hao ◽  
Xiu Hua Ren

With good vibration alleviating properties, resin mineral composite (RMC) has been used to produce precision machine tool beds to satisfy the requirements of machining accuracy. Aggregate is one of the key components in RMC to bear loads, its gradation design determines the overall mechanical properties of the composite directly. In this article, an optimal method to determine critical dimension of screen holes is proposed based on Euclidean geometry and Particle interference theory, and the corresponding proportion of each component is adjusted on the basis of fractal theory. Variation tendency of porosity corresponding to different fractal dimension is obtained by using simulation method. On this basis, image processing technology is used to validate the aforementioned assumptions. Experimental results show that the optimal design has smaller porosity performance, which is consistent with the simulation results.


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