Understanding the role of carbon nanotubes in low-carbon concrete: From experiment to molecular dynamics

Cui, Kai; Liang, Kaikang; Jiang, Ting; Zhang, Jixin; Lau, Denvid; Chang, Jun

doi:10.1016/j.cemconcomp.2023.105189

Cited by 39 publications

(9 citation statements)

References 52 publications

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“…Although this may somewhat curtail the mixture’s fluidity, it leads to a denser concrete structure. Furthermore, polypropylene fibers can considerably minimize microcracks caused by early plastic shrinkage and temperature stress and reduce stress concentration at the ends of the cracks, hence inhibiting crack development [ 48 ].…”

Section: Research On the Significance Of Factors Influencing The Perm...mentioning

confidence: 99%

Research and Development of Self-Waterproofing Concrete for Tunnel Lining Structure and Its Impermeability and Crack Resistance Characteristics

Zhou

et al. 2023

Materials

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This research paper systematically investigates the combined influence of fly ash, cementitious capillary crystalline waterproofing (CCCW) materials, and polypropylene fibers on the mechanical properties and impermeability of concrete through comprehensive orthogonal tests. Microscopic morphological changes in the concrete induced by different composite materials are examined via scanning electron microscopy (SEM) and X-ray diffraction (XRD) testing. The objective is to facilitate a beneficial synergetic interaction among these materials to develop highly permeable, crack-resistant concrete. Key findings of this study are: (1) The study unveils the impact of the concentration of three additive materials on the concrete’s compressive strength, tensile strength, and penetration height, thereby outlining their significant influence on the mechanical properties and impermeability of the concrete; (2) An integrated scoring method determined the optimal composite dosage of three materials: 15% fly ash, 2% CCCW, and polypropylene fibers at 1.5 kg/m3. This combination increased the concrete’s compressive strength by 12.5%, tensile strength by 48.4%, and decreased the average permeability height by 63.6%; (3) The collective introduction of these three materials notably augments the hydration reaction of the cement, resulting in denser concrete microstructure, enhanced bonding between fibers and matrix, and improved concrete strength and durability.

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Section: Research On the Significance Of Factors Influencing The Perm...mentioning

confidence: 99%

Research and Development of Self-Waterproofing Concrete for Tunnel Lining Structure and Its Impermeability and Crack Resistance Characteristics

Zhou

et al. 2023

Materials

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“…Table 5 shows the physical properties of the LRM and LRM + S. The physical properties of the LRM included a water content of 48.6%, pH of 11.5, density of 1.50 g/cm 3 , specific surface area of 2871 m 2 /kg, average particle diameter of 2.50 µm, and viscosity of 36,670 cP. The water content of the LRM + S decreased to 44.1% owing to sulfuric acid neutralization, and the viscosity increased significantly to 60,670 cP.…”

Section: Physical Propertiesmentioning

confidence: 99%

“…For CO 2 released from fossil consumption and cement production are the main anthropogenic contributor to global warming. Portland cement production causes high CO 2 emis- 35 sions, accounting for 7–10% of global anthropogenic CO 2 emissions and 2–3% of energy consumption [ 3 , 4 ]. Therefore, in order to reduce CO 2 emissions from the cement industry, red mud, an industrial waste, was proposed to be used as a substitute for cement.…”

Section: Introductionmentioning

confidence: 99%

Properties of Red Mud Neutralized with Sulfuric Acid and Effects on Cement Mortar

et al. 2023

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The purpose of this study was to recycle red mud, an industrial byproduct that generates 300,000 tons per year, into the construction industry. Red mud was prepared as a liquid, neutralized with sulfuric acid, and replaced with cement mortar. The properties of liquefied red mud (LRM) neutralized with sulfuric acid (LRM + S) were investigated as well as its effect on cement mortar’s mechanical and hydration characteristics. The pH of LRM + S stabilized at 7.6; its SO3 content was ~4.19% higher than that of LRM. Sulfites were contributed by calcium and sodium sulfate. The flows and setting times of the mortars containing LRM and LRM + S decreased as the substitution rate increased. The compressive strength of mortar that replaced 5% of cement with LRM + S was similar to that of the plain cement mortar. Scanning electron microscopy and X-ray diffraction revealed that the hydration products of LRM + S-containing cement mortar were similar to those of the plain cement mortar. Thus, LRM + S can be used as a cement substitute.

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“…В настоящее время метод молекулярной динамики (МД), будучи наиболее адаптируемым вычислительным методом для моделирования материалов на атомном/ молекулярном уровнях, нашел свое широкое применение для моделирования многих физических, механических, биологических, химических явлений и процессов на атомарном уровне [1][2][3][4][5][6][7]. Среди методов атомистического моделирования моделирование, основанное на методе МД, является наиболее подходящим методом для исследования процессов разрушения, поскольку динамика атомов теоретически отслеживается путем решения ньютоновского уравнения движения.…”

Section: Introductionunclassified

“…Среди методов атомистического моделирования моделирование, основанное на методе МД, является наиболее подходящим методом для исследования процессов разрушения, поскольку динамика атомов теоретически отслеживается путем решения ньютоновского уравнения движения. В частности, классическое моделирование МД является мощным инструментом для моделирования материалов в наноразмерном масштабе благодаря его относительно низкой вычислительной стоимости за счет использования эмпирических силовых полей (моделей межатомного взаимодействия) [1][2][3][4][5][6][7]. Особенно большой интерес вызывает моделирование нанотрубок, изготовленных из различных материалов, находящихся под воздействием сложных термомеханических нагрузок [2][3][4].…”

Section: Introductionunclassified

Modelling the Crack Propagation and Analysis of the Inclined Crack Path in the Pipe With the Extended Finite Element Method and Molecular Dynamics Method

Belova,

Stepanova

2023

PSP

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The article is devoted to a comparative analysis of the results of computational simulation experiments aimed at determining the inclined crack propagation paths a linearly elastic medium, performed using two fundamentally different approaches, namely discrete atomistic approach and continuum mechanics approach. The aim of the study is to construct paths of an inclined crack in a pipe under the uniaxial tensile loading by means of an extended finite element method (continuum approach) and using the molecular dynamics method (discrete, molecular atomistic approach). Computer simulations of uniaxial tension of a pipe with a through-the-thickness inclined crack were performed using the extended finite element method of the multi-functional computational software SIMULIA Abaqus. In parallel with the finite element analysis, a molecular dynamic simulation of the uniaxial tension of a nanoscopic tube with a through-the-thickness inclined crack in the LAMMPS software package for several materials (monocrystalline copper and monocrystalline aluminum with a face-centered crystal lattice) with the embedded atom potentials available in the LAMMPS open code was carried out. The sizes of macroscopic and nanoscopic pipes and crack lengths are selected taking into account the geometric similarity of the samples. Hereupon, the paths of the propagation of an inclined crack in a pipe under axial stretching conditions are obtained. Computations were carried out for several characteristic values of the crack inclination angles: 30, 45, 60 and 75° to the pipe axis. It is found that the crack propagation paths obtained within the framework of the continuum mechanics approach and atomistic simulations are similar to each other. It is established that for different angles of the crack location, the similarity of the crack growth trajectories in the pipe is preserved at various scale length levels: macroscopic and nanoscopic scales.

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Understanding the role of carbon nanotubes in low-carbon concrete: From experiment to molecular dynamics

Cited by 39 publications

References 52 publications

Research and Development of Self-Waterproofing Concrete for Tunnel Lining Structure and Its Impermeability and Crack Resistance Characteristics

Research and Development of Self-Waterproofing Concrete for Tunnel Lining Structure and Its Impermeability and Crack Resistance Characteristics

Properties of Red Mud Neutralized with Sulfuric Acid and Effects on Cement Mortar

Modelling the Crack Propagation and Analysis of the Inclined Crack Path in the Pipe With the Extended Finite Element Method and Molecular Dynamics Method

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