• Acta Physica Sinica
  • Vol. 69, Issue 3, 038101-1 (2020)
Jun-Sheng Yang1、*, Zi-Liang Zhu2、3, and Qi-Long Cao1、*
Author Affiliations
  • 1Computational Physics Key Laboratory of Sichuan Province, Yibin University, Yibin 644000, China
  • 2Weifang University of Science and Technology, Shouguang 262700, China
  • 3School Material Science and Engineering, Qingdao University, Qiangdao 266003, China
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    DOI: 10.7498/aps.69.20191191 Cite this Article
    Jun-Sheng Yang, Zi-Liang Zhu, Qi-Long Cao. Effect of pre-orientation on formation of microstructure of lamella crystal and the stress response of semicrystalline polymers: Molecular dynamics simulations[J]. Acta Physica Sinica, 2020, 69(3): 038101-1 Copy Citation Text show less
    (a) Schematic diagram of polymer melts under shear flow; (b) evolutions of σxy, Rete and Pall for polymer melts under shear with temperature of T = 1.0.(a)高分子熔体剪切示意图; (b)高分子熔体在剪切场温度为T = 1.0下的σxy, Rete及Pall演化曲线
    Fig. 1. (a) Schematic diagram of polymer melts under shear flow; (b) evolutions of σxy, Rete and Pall for polymer melts under shear with temperature of T = 1.0. (a)高分子熔体剪切示意图; (b)高分子熔体在剪切场温度为T = 1.0下的σxy, RetePall演化曲线
    Schematic diagram of (a) centro-symmetry parameter and (b) stretched chain segment for PVA crystal; (c) S distribution of crystal and melt of PVA semicrystalline polymers.(a)成核原子判定方法示意图; (b)伸直链判定方法示意图; (c) PVA半晶态高分子结构晶区与无定型区S值的分布
    Fig. 2. Schematic diagram of (a) centro-symmetry parameter and (b) stretched chain segment for PVA crystal; (c) S distribution of crystal and melt of PVA semicrystalline polymers. (a)成核原子判定方法示意图; (b)伸直链判定方法示意图; (c) PVA半晶态高分子结构晶区与无定型区S值的分布
    Evolutions of , dtt, V and S of nucleation atoms under different stains: (a) γ = 0; (b) γ = 1; (c) γ = 1.5; (d) γ = 2; (e) γ = 4; (f) γ = 8.不同应变下PVA熔体的, dtt, V和S随时间的演化过程 (a) γ = 0; (b) γ = 1; (c) γ = 1.5; (d) γ = 2; (e) γ = 4; (f) γ = 8
    Fig. 3. Evolutions of , dtt, V and S of nucleation atoms under different stains: (a) γ = 0; (b) γ = 1; (c) γ = 1.5; (d) γ = 2; (e) γ = 4; (f) γ = 8. 不同应变下PVA熔体的 , dtt, VS随时间的演化过程 (a) γ = 0; (b) γ = 1; (c) γ = 1.5; (d) γ = 2; (e) γ = 4; (f) γ = 8
    (a) Schematic diagram of crystalline and amorphous chain structure for the semicrystalline polymers; (b) and (c) atomic structure of crystal and melt of PVA semicrystalline polymers.(a)半晶态高分子结构中无定型对应的链结构分类模型; (b), (c) PVA半晶态高分子结构中晶体和无定型的原子结构
    Fig. 4. (a) Schematic diagram of crystalline and amorphous chain structure for the semicrystalline polymers; (b) and (c) atomic structure of crystal and melt of PVA semicrystalline polymers.(a)半晶态高分子结构中无定型对应的链结构分类模型; (b), (c) PVA半晶态高分子结构中晶体和无定型的原子结构
    (a) , crystalline order parameter Pc, and amorphous order parameter Pa for PVA semicrystalline polymers with different shear strains; (b) the evolution of the numbers of amorphous chains for PVA semicrystalline polymers with different shear strains.(a)不同剪切应下PVA半晶态高分子对应的、晶体取向参数Pc和无定型结构取向参数Pa; (b)不同剪切应变下PVA半晶态高分子无定型链结构数目的演化
    Fig. 5. (a) , crystalline order parameter Pc, and amorphous order parameter Pa for PVA semicrystalline polymers with different shear strains; (b) the evolution of the numbers of amorphous chains for PVA semicrystalline polymers with different shear strains. (a)不同剪切应下PVA半晶态高分子对应的 、晶体取向参数Pc和无定型结构取向参数Pa; (b)不同剪切应变下PVA半晶态高分子无定型链结构数目的演化
    Stress-strain curves of PVA semicrystalline polymer with different orientation degree under the stretched rate of .不同预取向半晶态高分子结构在恒定速率为拉伸场下对应的应力-应变曲线
    Fig. 6. Stress-strain curves of PVA semicrystalline polymer with different orientation degree under the stretched rate of . 不同预取向半晶态高分子结构在恒定速率为 拉伸场下对应的应力-应变曲线
    Structural evolution of single PVA chain as a function of strain ε when γ = 6.当γ = 6时对应的单链构象随着应变ε的演化过程
    Fig. 7. Structural evolution of single PVA chain as a function of strain ε when γ = 6. 当γ = 6时对应的单链构象随着应变ε的演化过程
    Jun-Sheng Yang, Zi-Liang Zhu, Qi-Long Cao. Effect of pre-orientation on formation of microstructure of lamella crystal and the stress response of semicrystalline polymers: Molecular dynamics simulations[J]. Acta Physica Sinica, 2020, 69(3): 038101-1
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