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甲烷水合物中应变硬化的微观起源

Microscopic Origin of Strain Hardening in Methane Hydrate.

作者信息

Jia Jihui, Liang Yunfeng, Tsuji Takeshi, Murata Sumihiko, Matsuoka Toshifumi

机构信息

Environment and Resource System Engineering, Kyoto University, Kyoto 615-8540, Japan.

International Institute for Carbon-Neutral Energy Research (I2CNER), Kyushu University, Fukuoka 819-0395, Japan.

出版信息

Sci Rep. 2016 Mar 24;6:23548. doi: 10.1038/srep23548.

Abstract

It has been reported for a long time that methane hydrate presents strain hardening, whereas the strength of normal ice weakens with increasing strain after an ultimate strength. However, the microscopic origin of these differences is not known. Here, we investigated the mechanical characteristics of methane hydrate and normal ice by compressive deformation test using molecular dynamics simulations. It is shown that methane hydrate exhibits strain hardening only if the hydrate is confined to a certain finite cross-sectional area that is normal to the compression direction. For normal ice, it does not present strain hardening under the same conditions. We show that hydrate guest methane molecules exhibit no long-distance diffusion when confined to a finite-size area. They appear to serve as non-deformable units that prevent hydrate structure failure, and thus are responsible for the strain-hardening phenomenon.

摘要

长期以来,有报道称甲烷水合物呈现应变硬化,而普通冰的强度在达到极限强度后会随着应变增加而减弱。然而,这些差异的微观起源尚不清楚。在此,我们通过分子动力学模拟的压缩变形试验研究了甲烷水合物和普通冰的力学特性。结果表明,只有当水合物被限制在垂直于压缩方向的特定有限横截面积内时,甲烷水合物才会呈现应变硬化。对于普通冰,在相同条件下它不会呈现应变硬化。我们表明,当被限制在有限尺寸区域时,水合物客体甲烷分子不会发生长距离扩散。它们似乎充当了防止水合物结构破坏的不可变形单元,因此是应变硬化现象的原因。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/2bcc/4806379/cc5d600d3f3f/srep23548-f1.jpg

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