Lushnikova Anna, Plé Olivier, De Souza Gomes Yago, Jia Xiaohui, Yang Wei
Laboratoire Procédés Energie Batiment, Université Savoie Mont Blanc, Unité Mixte de Recherche du CNRS 5271, Institut National de l'Energie Solaire, 73000 Chambéry, France.
Key Laboratory of Building Safety and Energy Efficiency of the Ministry of Education, Hunan University, Changsha 410082, China.
Materials (Basel). 2023 Jul 1;16(13):4771. doi: 10.3390/ma16134771.
The main objective of this work was to study the effects of carbon nanotubes (CNTs) on the strength and electrical properties of cement mortar. Molecular dynamic simulations (MDSs) were carried out to determine the mechanical and electrical properties of a cementitious composite and its associated mechanisms. To model the atomic structure of a calcium silicate hydrate (C-S-H) gel, tobermorite 11Å was chosen. Single-walled carbon nanotubes (SWCNTs) embedded in a tobermorite structure were tested numerically. In particular, it was concluded that a piezoelectric effect can be effectively simulated by varying the concentration levels of carbon nanotubes. The deformation characteristics were analyzed by subjecting a sample to an electrical field of 250 MV/m in the z-direction in a simulation box. The results indicated a progressively stronger converse piezoelectric response with an increasing proportion of carbon nanotubes. Additionally, it was observed that the piezoelectric constant in the z-direction, denoted by d33, also increased correspondingly, thereby validating the potential for generating an electrical current during sample deformation. An innovative experiment was developed for the electrical characterization of a cementitious composite of carbon nanotubes. The results showed that the electrostatic current measurements exhibited a higher electric sensitivity for samples with a higher concentration of CNTs.
这项工作的主要目的是研究碳纳米管(CNT)对水泥砂浆强度和电学性能的影响。进行了分子动力学模拟(MDS)以确定水泥基复合材料的力学和电学性能及其相关机制。为了模拟硅酸钙水合物(C-S-H)凝胶的原子结构,选择了11Å 托贝莫来石。对嵌入托贝莫来石结构中的单壁碳纳米管(SWCNT)进行了数值测试。特别地,得出结论:通过改变碳纳米管的浓度水平可以有效地模拟压电效应。在模拟箱中,通过在z方向对样品施加250 MV/m的电场来分析其变形特性。结果表明,随着碳纳米管比例的增加,逆压电响应逐渐增强。此外,观察到z方向的压电常数(用d33表示)也相应增加,从而验证了样品变形过程中产生电流的可能性。针对碳纳米管水泥基复合材料的电学特性开展了一项创新实验。结果表明,静电电流测量对碳纳米管浓度较高的样品表现出更高的电灵敏度。