The role of temperature in the rigidity-controlled fracture of elastic networks

Tauber, Justin; Kok, Aimée R.; Gucht, Jasper van der; Dussi, Simone

doi:10.1039/d0sm01063d

Cited by 6 publications

(7 citation statements)

References 42 publications

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“…However, in such a simple model, the fraction of broken chains is still too high with respect to our simulations (ϕ broken ≈ 0.99) . In fact, the fraction of broken chains observed in our simulations is closer to the fractions observed for the failure of athermal elastic networks, , where the fracture response is controlled by network rigidity. ,− …”

Section: Resultssupporting

confidence: 76%

Sharing the Load: Stress Redistribution Governs Fracture of Polymer Double Networks

et al. 2021

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The stress response of polymer double networks depends not only on the properties of the constituent networks but also on the interactions arising between them. Here, we demonstrate, via coarse-grained simulations, that both their global stress response and their microscopic fracture mechanics are governed by load sharing through these internetwork interactions. By comparing our results with affine predictions, where stress redistribution is by definition homogeneous, we show that stress redistribution is highly inhomogeneous. In particular, the affine prediction overestimates the fraction of broken chains by almost an order of magnitude. Furthermore, homogeneous stress distribution predicts a single fracture process, while in our simulations, fracture of sacrificial chains takes place in two steps governed by load sharing within a network and between networks, respectively. Our results thus provide a detailed microscopic picture of how inhomogeneous stress redistribution after rupture of chains governs the fracture of polymer double networks.

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Section: Resultssupporting

confidence: 76%

Sharing the Load: Stress Redistribution Governs Fracture of Polymer Double Networks

et al. 2021

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“…38 In fact, the fraction of broken chains observed in our simulations is closer to the fractions observed for failure of athermal elastic networks, 36,39 where the fracture response is controlled by network rigidity. 36,[40][41][42] Going back to our simulation data we also find that the rate of chain failure (the slope of the curves) drops significantly at the start of the transition regime in the stress-strain curve for DNs (Fig. 3(c)), implying that in a DN the fracture of sacrificial chains takes place in two steps.…”

Section: Damage Accumulationsupporting

confidence: 68%

Sharing the load: stress redistribution governs fracture of polymer double networks

Tauber,

Rovigatti,

Dussi

et al. 2021

Preprint

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The stress response of polymer double networks depends not only on the properties of the constituent networks, but also on the interactions arising between them. Here we demonstrate, via coarse-grained simulations, that both their global stress response and their microscopic fracture mechanics are governed by load sharing through these inter-network interactions. By comparing our results with affine predictions, where stress redistribution is by definition homogeneous, we show that stress redistribution is highly inhomogeneous. In particular, the affine prediction overestimates the fraction of broken chains by almost an order of magnitude. Furthermore, homogeneous stress distribution predicts a single fracture process, while in our simulations fracture of sacrificial chains takes place in two steps governed by load sharing within a network

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“…However, at a certain critical and or particular strain, the CNTs structure may become unstable and buckling process is started or breakdown of CNTs, which can result in a sudden increase/ decrease in the peak height. But, at intermediate-high T (= 400K and 700K), the thermal fluctuations can feeble the CNTs structure [19] and make it more susceptible to break at low level [32] of +γ strains. It can lead to abrupt and sudden changes (increase and or decrease) in the peak heights because of the CNTs structure breakdown at T = 400K to 700K, and it can be seen in panels of Fig 4B and 4C.…”

Section: Plos Onementioning

confidence: 99%

Structural and thermal analyses in semiconducting and metallic zigzag single-walled carbon nanotubes using molecular dynamics simulations

Zahra,

Shahzad,

Manzoor

et al. 2024

PLoS ONE

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Equilibrium molecular dynamics (EMD) simulations have been performed to investigate the structural analysis and thermal conductivity (λ) of semiconducting (8,0) and metallic (12,0) zigzag single-walled carbon nanotubes (SWCNTs) for varying ±γ(%) strains. For the first time, the present outcomes provide valuable insights into the relationship between the structural properties of zigzag SWCNTs and corresponding thermal behavior, which is essential for the development of high-performance nanocomposites. The radial distribution function (RDF) has been employed to assess the buckling and deformation understandings of the (8,0) and (12,0) SWCNTs for a wide range of temperature T(K) and varying ±γ(%) strains. The visualization of SWCNTs shows that the earlier buckling and deformation processes are observed for semiconducting SWCNTs as compared to metallic SWCNTs for high T(K) and it also evident through an abrupt increase in RDF peaks. The RDF and visualization analyses demonstrate that the (8,0) SWCNTs can more tunable under compressive than tensile strains, however, the (12,0) zigzag SWCNTs indicate an opposite trend and may tolerate more tensile than compressive strains. Investigations show that the tunable domain of ±γ(%) strains decreases from (-10%≤ γ ≤+19%) to (-5%≤ γ ≤+10%) for (8,0) SWCNTs and the buckling process shifts to lower ±γ(%) for (12,0) SWCNTs with increasing T(K). For intermediate-high T(K), the λ(T) of (12,0) SWCNTs is high but the (8,0) SWCNTs show certainly high λ(T) for low T(K). The present λ(T, ±γ) data are in reasonable agreement with parts of previous NEMD, GK-HNEMD data and experimental investigations with simulation results generally under predicting the λ(T, ±γ) by the ∼1% to ∼20%, regardless of the ±γ(%) strains, depending on T(K). Our simulation data significantly expand the strain range to -10% ≤ γ ≤ +19% for both zigzag SWCNTs, depending on temperature T(K). This extension of the range aims to establish a tunable regime and delve into the intrinsic characteristics of zigzag SWCNTs, building upon previous work.

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The role of temperature in the rigidity-controlled fracture of elastic networks

Abstract: We study the influence of thermal fluctuations on the fracture of elastic networks, via simulations of the uniaxial extension of central-force spring networks with varying rigidity. Studying their failure response,...

Cited by 6 publications

References 42 publications

Sharing the Load: Stress Redistribution Governs Fracture of Polymer Double Networks

Sharing the Load: Stress Redistribution Governs Fracture of Polymer Double Networks

Sharing the load: stress redistribution governs fracture of polymer double networks

Structural and thermal analyses in semiconducting and metallic zigzag single-walled carbon nanotubes using molecular dynamics simulations

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