Propagation Properties of Shock Waves in Polyurethane Foam based on Atomistic Simulations

Hu, Zhi-Qiang; Shao, Jianli; Jia, Shiyu; Song, Weidong; Wang, Cheng

doi:10.1016/j.dt.2023.01.020

Cited by 7 publications

(2 citation statements)

References 81 publications

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“…Regarding the shock problem, the MD method has been extensively applied to a range of metallic materials, including FCC, BCC, and HCP mono/poly crystals, successfully capturing the shock phenomena such as dislocation/twinning, − phase transition, , and spalling. − Recent advances have expanded MD simulations to study the shock response of three typical polymeric materials: polyethylene, , polyurea, − and polyurethane. , However, to the best of the authors’ knowledge, there is a notable absence of public reports on MD research concerning the shock behaviors of PIs. PI materials, endowed with a distinct molecular structure, will activate diverse micromechanisms in reaction to external shock loading.…”

Section: Introductionmentioning

confidence: 99%

“…47−49 Recent advances have expanded MD simulations to study the shock response of three typical polymeric materials: polyethylene, 50,51 polyurea, 52−55 and polyurethane. 56,57 However, to the best of the authors' knowledge, there is a notable absence of public reports on MD research concerning the shock behaviors of PIs. PI materials, endowed with a distinct molecular structure, will activate diverse micromechanisms in reaction to external shock loading.…”

Section: Introductionmentioning

confidence: 99%

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Atomic Insight into Multilevel Microstructure Evolution and Energy Variation Mechanisms of Polyimide under Shock Compression

Liu,

Chen,

Zhu

et al. 2024

Macromolecules

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Polyimide (PI) stands as a foundational material in the aerospace industry and high-energy-density science, and its shock response under extreme conditions constitutes an increasing focus within the academic community. However, given the sophisticated molecular structure and stacking state of chains, the understanding of how PI mobilizes multiple micromechanisms in response to external shock loading remains incomplete. To fill this knowledge gap, aided by the multiscale shock technique (MSST), the dynamic behaviors of pyromellitic dianhydride (PMDA)/4,4′oxidianiline (ODA) PI over shock pressure range of 0−20 GPa are systematically studied through all-atom molecular dynamics (MD) simulations. The multilevel microstructures evolution (spanning from the covalent bond to molecular chain and to aggregation structures) and the diverse energy variation mechanisms are comprehensively analyzed. The results indicate a favorable agreement between the MD-calculated Hugoniot relations of PI and the experimental data in literature. The shock response of PI reveals two distinct stages: low shock strength (0 < P < 5 GPa, I) and high shock strength (5 < P < 20 GPa, II). In the low shock strength stage, diverse energy mechanisms engage in competitive interactions, with their sensitivity to shock pressure determined by the interaction intensities, wherein the relatively weak interchain energy emerges as the most active mechanism. In the high shock strength stage, energy mechanisms transform to coordinate with each other, maintaining consistent contributions to the total energy at a specified proportion. Microstructure analysis identifies the linkage between PMDA and ODA, as well as the ether linkage in ODA, as the most changeable bonded sites. Correspondingly, the C p −N, C p −O−C p, and C p −C p −O c −C p are the most changed bond length, bond angle, and dihedral angle, respectively. The rearrangement of rigid segments between the ether linkages is the primary reason for chain conformation, resulting in the topological structure of the entire molecular chain remaining constant, exhibiting self-similarity under varying shock pressure. Concurrently, X-ray diffraction (XRD) examinations on aggregation structure reveal a 42.6% reduction in d-spacing, indicating that the contraction of free volume is responsible for the observed shock compressibility of PI materials. This study offers insights into the molecular-level mechanisms of shocked polymers, which may serve as a blueprint for the development of advanced polymers in extreme conditions.

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Section: Introductionmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

Atomic Insight into Multilevel Microstructure Evolution and Energy Variation Mechanisms of Polyimide under Shock Compression

Liu,

Chen,

Zhu

et al. 2024

Macromolecules

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One‐Hour Ambient‐Pressure‐Dried, Scalable, Stretchable MXene/Polyurea Aerogel Enables Synergistic Defense Against High‐Frequency Mechanical Shock and Electromagnetic Waves

Zheng,

Xu,

Liu

et al. 2024

Adv Funct Materials

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The rapid, energy‐efficient, scalable preparation of high‐strength, flexible, multifunctional nanostructured aerogels is highly desired yet challenging. Here, an ambient‐pressure‐dried (APD) strategy is developed involving self‐foaming, dip‐coating, and graphene oxide (GO)‐assisted multiple cross‐linking treatments for the prompt, large‐area preparation of polyurea/transition metal carbides/nitrides (MXenes) aerogels. The APD MXene‐based aerogels showcase low density, remarkable mechanical strength, and ultraflexiblity involving stretchability, good conductivity, hydrophobicity, and high resistance to various solvents. Synergies of robust, elastic cell walls and porous structure contribute to high‐efficiency absorption of high‐frequency, high‐speed mechanical shock waves for the aerogels, significantly transcendinging the biomasses, plastics, elastomers, ceramics, and metals. In addition to the excellent microwave shielding performance of over 40 dB in ultrabroadband frequencies of 4–40 GHz, the oxidation stability is elevated for APD MXene aerogels, consequently yielding applicability in harsh conditions. Furthermore, the superior light absorption capability of aerogels leads to the efficient photothermal conversion, therapy, antibacterial, desalination, water purification, deicing, and thick oil absorption. This work provides a facile, time‐ and energy‐efficient, scalable APD methodology for manufacturing large‐area, high‐strength, ultraflexible, multifunctional MXene‐based aerogels, enlighting a novel synergistic defense against mechanical shock and electromagnetic waves, and promoting them as a prospective candidate in aerospace, device protection, and next‐generation electronics.

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Experimental investigation on weak shock wave mitigation characteristics of flexible polyurethane foam and polyurea

Jia

Wang

et al. 2024

Defence Technology

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Propagation Properties of Shock Waves in Polyurethane Foam based on Atomistic Simulations

Cited by 7 publications

References 81 publications

Atomic Insight into Multilevel Microstructure Evolution and Energy Variation Mechanisms of Polyimide under Shock Compression

Atomic Insight into Multilevel Microstructure Evolution and Energy Variation Mechanisms of Polyimide under Shock Compression

One‐Hour Ambient‐Pressure‐Dried, Scalable, Stretchable MXene/Polyurea Aerogel Enables Synergistic Defense Against High‐Frequency Mechanical Shock and Electromagnetic Waves

Experimental investigation on weak shock wave mitigation characteristics of flexible polyurethane foam and polyurea

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