MOLECULAR DYNAMICS STUDY OF LOCAL MECHANICAL PROPARTIES OF AMORPHOUS AND CRYSTALLINE 11Å TOBERMORITE

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  • KANEMASU Ikumi
    HIROSHIMA INSTITUTE OF TECHNOLOGY, Department of Civil and Environmental Engineering（2-1-1, Miyake, Saeki-ku, Hiroshima-shi, Hiroshima 731-5143, Japan）
  • OHMURA Satoshi
    HIROSHIMA INSTITUTE OF TECHNOLOGY, Department of Civil and Environmental Engineering（2-1-1, Miyake, Saeki-ku, Hiroshima-shi, Hiroshima 731-5143, Japan） HIROSHIMA INSTITUTE OF TECHNOLOGY, Research Center for Applied Quantum Physics（2-1-1, Miyake, Saeki-ku, Hiroshima-shi, Hiroshima 731-5143, Japan）
  • TAKEDA Nobufumi
    HIROSHIMA INSTITUTE OF TECHNOLOGY, Department of Civil and Environmental Engineering（2-1-1, Miyake, Saeki-ku, Hiroshima-shi, Hiroshima 731-5143, Japan）

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Other Title
  • 分子動力学法による結晶状態と非晶質状態の11Åトバモライトの局所力学特性

Abstract

<p>There has been recent interest in understanding the mechanical properties of 11Å tobermorite, arising from the relevance of tobermorite to concrete durability. In this study, the uniaxial tensile and compressive behaviors of 11Å tobermorite in crystalline and amorphous states have been investigated using molecular dynamics simulations. The uniaxial tensile simulation clarified that 11Å tobermorite has three different deformation mechanisms：the first is a layer peeling deformation, the second is the deformation with bond breaking, and the third is a deformation that only disrupt the structure without bond breaking. The simulation also clarified that the maximum stress of the layer peeling deformation shows the small temperature dependence compared to those of other types of deformation. In the compressive deformation, the simulation shows a rotation of crystal orientation due to slip without disrupting the crystal structure. Other deformations in which a wide range of structures collapses simultaneously are also observed. For the amorphous state, since the structure is already disordered before deformation, no difference in mechanism appears depending on the direction of deformation in both tension and compression.</p>

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