Tensile strength of calcite/HMWM and silica/HMWM interfaces: A Molecular Dynamics analysis

Ji, Koochul; Arson, Chloé

doi:10.1016/j.conbuildmat.2020.118925

Cited by 25 publications

(15 citation statements)

References 31 publications

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“…Three different strain rates (1 × 10 8 s −1 , 5 × 10 8 s −1 and 1 × 10 9 s −1 ) were applied to the polymer cell shown in Figure 3 at 300 K. The stress/strain curves obtained by MD simulation, plotted in Figure 4a, show that the strength (peak stress) of the polymer increased the strain rate, as also noted in previous studies [5,41]. In the following, we present simulations with a strain rate of 5 × 10 8 s −1 .…”

Section: Simulation Of Pmma Polymer Shear Deformationsupporting

confidence: 78%

“…Crosslinking, polymerization and relaxation were simulated so as to achieve the mass density and curing temperature of PMMA. The calibration procedure of the model is explained in a previous study by the authors [5].…”

Section: Simulation Of Pmma Polymer Shear Deformationmentioning

confidence: 99%

“…To the best of the authors' knowledge, the crack filling ratio expected when HMWM is applied under pressure is unknown, and the molecular origin of the flexural strength of repaired steel-reinforced concrete members is not understood. It was previously shown that the of resin and hardener, and the principle of the crosslinking reaction is explained in [5].…”

Section: Introductionmentioning

confidence: 99%

“…MD simulations allowed evaluation 63 of the surface energy and interfacial adhesive properties of polymer-silica interfaces in 64 various environmental conditions [25,26]. The influence of polymerization (i.e., polymer that the tensile strength of concrete/PMMA interfaces is due to van der Waals forces and that silica/PMMA interfaces exhibit a higher tensile strength than calcite/PMMA interfaces in mode I [5]. In this paper, we simulate PMMA injection and PMMA/silica interface shear deformation.…”

mentioning

confidence: 99%

“…Cross-linking represents the transition of PMMA to the glassy state, i.e., the process by which the hardener links with methyl methacrylate (MMA, i.e., resin) towards a cured state. Figure 1 shows the molecules of resin and hardener, and the principle of the crosslinking reaction is explained in [5].…”

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confidence: 99%

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Molecular Dynamics Analysis of Silica/PMMA Interface Shear Behavior

Stewart

Arson

2022

Polymers

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The mechanical properties of cementitious materials injected by epoxy have seldom been modeled quantitatively, and the atomic origin of the shear strength of polymer/concrete interfaces is still unknown. To understand the main parameters that affect crack filling and interface strength in mode II, we simulated polymethylmethacrylate (PMMA) injection and PMMA/silica interface shear deformation with Molecular Dynamics (MD). Injection simulation results indicate that the notch filling ratio increases with injection pressure (100 MPa–500 MPa) and temperature (200 K–400 K) and decreases with the chain length (4–16). Interface shear strength increases with the strain rate (1×108 s−1–1×109 s−1). Smooth interfaces have lower shear strengths than polymer alone, and under similar injection conditions, rough interfaces tend to be stronger than smooth ones. The shear strength of rough interfaces increases with the filling ratio and the length of the polymer chains; it is not significantly affected by temperatures under 400 K, but it drops dramatically when the temperature reaches 400 K, which corresponds to the PMMA melting temperature for the range of pressures tested. For the same injection work input, a higher interface shear strength can be achieved with the entanglement of long molecule chains rather than with asperity filling by short molecule chains. Overall, the mechanical work needed to break silica/PMMA interfaces in mode II is mainly contributed by van der Waals forces, but it is noted that interlocking forces play a critical role in interfaces created with long polymer chains, in which less non-bond energy is required to reach failure in comparison to an interface with the same shear strength created with shorter polymer chains. In general, rough interfaces with low filling ratios and long polymer chains perform better than rough interfaces with high filling ratios and short polymer chains, indicating that for the same injection work input, it is more efficient to use polymers with high polymerization.

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Section: Simulation Of Pmma Polymer Shear Deformationsupporting

confidence: 78%

Section: Simulation Of Pmma Polymer Shear Deformationmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

mentioning

confidence: 99%

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confidence: 99%

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