本文選題：無定形聚合物　切入點：分子動力學　出處：《塑料科技》2017年12期

【摘要】：為研究混合比、溫度對無定形聚合物單軸拉伸形變行為的影響,采用粗�；垡蚁┐寄Ｐ�,應用分子動力學軟件lammps模擬不同鏈長按不同比例組成的混合體系在不同溫度下的單軸拉伸過程�；旌象w系的建立使得模擬趨向?qū)嶋H聚合物的多分散性。分析仿真得出的4個典型變形階段(彈性變形、屈服、應變軟化、應變強化)的應力應變曲線可得出:長鏈增多引起解纏、重新取向困難,導致應變強化顯著,而當短鏈增多且溫度降低時,突然斷裂的現(xiàn)象也越容易出現(xiàn);混合比對彈性變形、屈服及應變軟化幾乎沒有影響,而對應變強化有顯著的影響,混合比越小,較長的鏈越多,應變強化階段越明顯,歷經(jīng)的時間越長。
[Abstract]:In order to study the effect of mixing ratio and temperature on the uniaxial tensile deformation behavior of amorphous polymer, a coarse grained polyvinyl alcohol model was used. The molecular dynamics software lammps was used to simulate the uniaxial tensile process of mixed systems with different chain lengths and different proportions at different temperatures. The establishment of the mixed system made the simulation tend to the polydispersity of real polymers. Four typical deformation stages (elastic deformation, The stress-strain curves of yield, strain softening and strain strengthening) can be obtained: the increase of long chain leads to unwinding and reorientation, which leads to obvious strain strengthening, and when the short chain increases and the temperature decreases, the phenomenon of sudden fracture appears more easily; Mixing ratio has little effect on elastic deformation, yield and strain softening, but has significant effect on strain strengthening. The smaller the mixing ratio is, the longer the chain is, the more obvious the strain strengthening stage is and the longer the time is.
【作者單位】： 太原理工大學機械工程學院;太原理工大學煤礦綜采裝備山西省重點實驗室;
【基金】：國家青年科學基金項目(51303123)
【分類號】：O631.21

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