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Author:

Liao, Hongjun (Liao, Hongjun.) | Lv, Jiangyan (Lv, Jiangyan.) | Cao, Peng (Cao, Peng.) | Cao, Liang (Cao, Liang.) | Huang, Renlong (Huang, Renlong.) | Tang, Xianqiong (Tang, Xianqiong.)

Indexed by:

EI Scopus SCIE

Abstract:

The mechanical properties of PBT-based azide propellants, composed of a 3,3 '-bis(azidomethyl)oxetane/tetrahydrofuran (PBT) copolymer matrix and defective ammonium perchlorate (AP) crystals, are significantly influenced by the matrix-crystal interface. This study employed molecular dynamics (MD) simulations to examine interfacial effects on mechanical performance under uniaxial tensile deformation. Models with varying cross-linking densities (70%, 80%, 90%) and AP defect widths (20 & Aring;, 30 & Aring;, 40 & Aring;) were analyzed to assess the effects of temperature, strain rate, cross-linking degree, and defect size on interfacial adhesion strength and failure mechanisms. Results indicate that at low temperatures, the interface exhibited high stress peaks and brittleness characteristics, transitioning to plastic flow and enhanced ductility at higher temperatures. Cross-linking density significantly affects interfacial strength: a 90% cross-linking degree achieved the highest stress peak and optimal tensile resistance, whereas lower cross-linking resulted in weaker stress transfer and accelerated post-peak stress decay. Higher strain rates increased peak stress and shortened deformation times, while lower strain rates promoted molecular rearrangement, enhancing tensile resistance. Defect size also plays a crucial role, with smaller defects maintaining interfacial dominance, whereas larger defects shift failure toward the bulk matrix, reducing stress transfer efficiency. These findings provide atomic-scale insights into interfacial defects and key material parameters, offering theoretical guidance for optimizing the structural stability of composite propellants.

Keyword:

interfacial effect AP crystal defects molecular dynamics simulation crosslinking degree uniaxial tensile deformation

Author Community:

  • [ 1 ] [Liao, Hongjun]Xiangtan Univ, Sch Mech Engn & Mech, Xiangtan 411105, Peoples R China
  • [ 2 ] [Huang, Renlong]Xiangtan Univ, Sch Mech Engn & Mech, Xiangtan 411105, Peoples R China
  • [ 3 ] [Tang, Xianqiong]Xiangtan Univ, Sch Mech Engn & Mech, Xiangtan 411105, Peoples R China
  • [ 4 ] [Lv, Jiangyan]41st Inst Fourth Acad China Aerospace Sci & Techno, Xian 710025, Peoples R China
  • [ 5 ] [Cao, Peng]Beijing Univ Technol, Coll Architecture & Civil Engn, Beijing 100124, Peoples R China
  • [ 6 ] [Cao, Liang]Beijing Univ Technol, Coll Architecture & Civil Engn, Beijing 100124, Peoples R China

Reprint Author's Address:

  • [Tang, Xianqiong]Xiangtan Univ, Sch Mech Engn & Mech, Xiangtan 411105, Peoples R China

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Source :

POLYMERS

Year: 2025

Issue: 7

Volume: 17

5 . 0 0 0

JCR@2022

Cited Count:

WoS CC Cited Count:

SCOPUS Cited Count:

ESI Highly Cited Papers on the List: 0 Unfold All

WanFang Cited Count:

Chinese Cited Count:

30 Days PV: 10

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