单层衬砌喷射混凝土早高强作用机理的分子动力模拟研究Molecular Dynamics simulation Study on the Mechanism of Early and High Strength of Single-layer Lining Shotcrete
王云晖,徐海岩,黄榆,龙华,何毅,申立学
摘要(Abstract):
本文在喷射混凝土力学性能研究的基础之上,借助分子动力学模拟中径向分布函数(RDF)、自由体积分数(FFV)、均方位移(MSD)、浓度分布(CP)和弹性模量等指标,对单层衬砌早高强喷射混凝土的强度特性进行了模拟研究。研究表明:所建立模型的RDF曲线与目前已被证实的模型峰值趋势表现一致,且模型弹性模量和泊松比均处于一个合理的范围之内。其中掺加了30%超微粉复合掺和料的早高强喷射混凝土的弹性模量数值较基准组模型提升了6.92%,同时其FFV数值较基准组模型低3.31%。这表明掺入超微粉的衬砌整体力学性能较好且内部孔隙分布较为均匀。本文的研究结果为分子动力学模拟单层衬砌喷射混凝土提供理论支撑。
关键词(KeyWords): 单层衬砌;早高强喷射混凝土;力学性能;分子动力学模拟;超微粉复合掺和料;纳米晶胶聚合物
基金项目(Foundation): 西藏自治区科技厅-日喀则市区域科技协同创新专项(QYXTZX-RKZ2023-02);; 日喀则市科技局科技计划项目;; 四川省自然科学基金青年基金(2024NSFSC0935)
作者(Author): 王云晖,徐海岩,黄榆,龙华,何毅,申立学
参考文献(References):
- [1]雷中成.钢纤维混凝土单层衬砌结构裂缝演化规律及安全性研究[D].成都:西华大学, 2022.
- [2]王艳张,刘宗华,薛秀秀.搪瓷溜槽在小坡度长斜井混凝土衬砌施工中的应用[J].云南水力发电, 2021, 37(6):86-88.
- [3] AWSH A A W, OSTA A A M, BAHRAQ A A, et al. Development of a universal atomistic cement model incorporating nanomaterials:From laboratory investigation to molecular simulation[J]. Journal of Building Engineering, 2024, 95:109975.
- [4] DING Q, YANG J, HOU D, et al. Insight on the mechanism of sulfate attacking on the cement paste with granulated blast furnace slag:An experimental and molecular dynamics study[J]. Construction and Building Materials, 2018, 169:601-611.
- [5] FEN H, DONGSHUAI H, PAN W, et al. Synergistic action of chloride and sulfate ions on the mechanical properties of cement-based materials by the experimental and molecular dynamics study[J]. Construction and Building Materials, 2022, 349.
- [6] XINPING Z, LAURENT B, MATTHIEU V, et al. Scaling of nanoscale elastic and tensile failure properties of cementitious calcium-silicate-hydrate materials at cryogenic temperatures:A molecular simulation study[J]. Cement and Concrete Research, 2023,172.
- [7] HAOLIANG H, JING L, CHUHAN P, et al. Interfacial bond between modified micro carbon fiber and high-strength cement paste in UHPC:Bond-slip tests and molecular dynamic simulation[J]. Cement and Concrete Composites, 2023, 142.
- [8] WANG P, QIAO G, ZHANG Y, et al. Molecular dynamics simulation study on interfacial shear strength between calcium-silicate-hydrate and polymer fibers[J]. Construction and Building Materials, 2020,257.
- [9] TE L, YUANMING L, DONGSHUAI H, et al. Molecular dynamics simulation investigation on the anti-freezing mechanisms of CSH-GS/GO interfaces[J]. Construction and Building Materials, 2023, 369.
- [10] ZHANG G, ZHANG W, LI Y, et al. The effect of curing regimes on the hydration products of lightweight ultra-high performance concrete:From experiments to MD simulations[J]. Construction and Building Materials, 2024, 412134865-.
- [11] HOOI B C, WONSEOK C, HYUN B N. Molecular dynamics simulation of calcium-silicate-hydrate for nano-engineered cement composites-a review.[J]. Nanomaterials(Basel, Switzerland), 2020,10(11):2158-2158.
- [12] HOU D, YU J, WANG P. Molecular dynamics modeling of the structure,dynamics, energetics and mechanical properties of cement-polymer nanocomposite[J]. Composites Part B, 2019, 162433-444.
- [13]侯勇,易祖辉,邹顺青,等.早高强单层喷锚衬砌在隧道支护中的应用研究[J].交通节能与环保, 2024, 20(03):13-16.
- [14] JIE X, XI C, BO Y. Experimental and simulation study of rubber/cement paste interface modified by waste paint and silica in two stages[J]. Construction and Building Materials, 2023, 382.
- [15] DE RUN Z, PEI Y, ZI YANG L, et al. Influence of acidity and alkalinity of water environments on the water stability of asphalt mixture:Phase I-molecular dynamics simulation[J]. Construction and Building Materials, 2024, 411:13446.