Climate change is the main global concern today, triggering a transformative shift in several sectors, especially the construction industry. High carbon emissions during Portland cement (PC) production necessitate a gradual shift toward more environmentally friendly alternatives, such as alkali-activated materials (AAMs). AAMs offer a promising, low-carbon solution for the production of alternative building materials. Introduction of these materials, however, require certification backed by well-documented test results. The widely used EuroCode 2 (EN 1995-1-1) (EC2) for PC concrete currently lacks guidelines for the use of AAC. Experimental data and reliable models for estimating long-term mechanical properties, especially creep and shrinkage phenomena, are still missing. The aim of this thesis is to evaluate creep behaviour of AAC, clarify underlying mechanisms and develop a creep model that takes into account specific microstructural and nanoscale properties of alkali-activated paste....@en

In this paper, the atomic structures of sodium aluminosilicate hydrate (N–A–S–H) gels with different Si/Al ratios are studied by molecular dynamics simulation. An N–A–S–H gel model was obtained from the polymerization of Si(OH)4 and Al(OH)3 monomers with the use of a reactive force field (ReaxFF). The simulated atomic structural features, such as the bond length, bond angle, and simulated X-ray diffraction pattern of the gel structure are in good accordance with the experimental results in the literature. Si–O–Al is found to be preferred over Si–O–Si in the N–A–S–H gel structure according to the amount of T–O–T bond angles and distribution of Si4(mAl). Pentacoordinate Al is identified in all simulated N–A–S–H models. It provides strong support to current knowledge that pentacoordinate Al in geopolymer does not only come from raw material. Furthermore, the structural analysis results also show that N–A–S–H gel with lower Si/Al ratios has a more cross-linked and compacted structure.@en

This study aims to compare the developments of mechanical properties and autogenous shrinkage related properties of alkali-activated materials-based concrete (AC) and ordinary Portland cement-based concrete (OC) against curing age and degree of reaction. Temperature Stress Testing Machines are utilized to monitor the evolution of the internal tensile stress and the cracking occurrence in the restrained concrete. It is found that AC shows lower tensile strength-to-compressive strength ratios than OC. The mechanical properties of both OC and AC can be modelled by a power law against the degree of reaction. AC shows higher autogenous shrinkage, but later cracking than OC when under restrained condition. However, the degrees of reaction at which AC and OC cracked are very similar. From the autogenous shrinkage, the elastic modulus and the self-induced stress, the elastic and creep deformations of the concrete can be calculated. AC is found to show much higher creep coefficient than OC.@en

This paper aims to study the adhesion mechanism of polyvinyl alcohol (PVA) fiber within alkali-activated slag/fly ash (AASF) matrix using molecular dynamics (MD) simulation in combination with systematic experimental characterization. The adhesion of PVA to C-(N-)A-S-H gel with different Ca/(Si+Al) and Al/Si ratios was modeled using MD simulation, with the related adsorption enthalpy calculated and the adhesion mechanism explored. The experimentally attained chemical bonding energy of PVA fiber in AASF coincides well with the simulation results. In both cases, the adhesion enhances primarily with increasing Ca/(Si+Al) ratio of C-(N-)A-S-H gel. Additionally, MD simulation indicates preferential element distributions of Ca around PVA molecule, which was confirmed experimentally by the detection of the Ca-rich C-(N-)A-S-H gel in the interfacial transition zone (ITZ). This study provides further insights into the adhesion mechanism of PVA fiber to C-(N-)A-S-H gel formed in AASF, which is particularly valuable for the future development of PVA-based high-performance alkali-activated composites.@en

Alkali activated concrete (AAC) has not received broader industry acceptance, one reason of which lies in the uncertainties in the durability against shrinkage and potential cracking. Many studies reported that AAC exhibit larger autogenous shrinkage than OPC concrete. However, it is unable to deduce that AAC should show higher cracking potential than OPC concrete only based on the higher autogenous shrinkage of AAC. The cracking potential of concrete is determined by multiple factors including autogenous shrinkage, creep/relaxation, elastic modulus, and tensile properties of the concrete. However, very few studies have considered these parameters. Furthermore, the influence of precursors (e.g. slag or fly ash) on the cracking potential of AAC induced by autogenous shrinkage is also rarely studied. The aim of this study, therefore, is to investigate the autogenous shrinkage-induced cracking potential of slag and fly ash-based AAC. The free autogenous shrinkage of the specimens is measured by Autogenous Deformation Testing Machine (ADTM). The autogenous shrinkage-induced stress and cracking of the concrete under restraint condition is tracked by Thermal Stress Testing Machine (TSTM). Additionally, the influence of precursors on the autogenous shrinkage induced cracking potential is discussed.@en

The understanding of sodium aluminosilicate hydrate (N-A-S-H) gel is still limited due to its complex and amorphous structure. Recently, molecular dynamics simulation has provided a unique opportunity to better understand the structure of N-A-S-H gel from nanoscale. In this work, the N-A-S-H gel structure was obtained by simulating the polymerization of Si and Al monomers by molecular dynamics. The simulated polymerization process is in good agreement with the experimental results especially in terms of the reaction rate of Si and Al species. The atomic structural features of the N-A-S-H gel were analyzed in terms of bond length and bond angle information, simulated X-ray diffraction (XRD) and Qn distribution. A significant finding is the existence of pentacoordinate Al in all simulated N-A-S-H structures, indicating that pentacoordinate Al in geopolymer does not only come from raw material. Besides, the results show that a smaller Si/Al ratio led to a more crosslinked and compacted structure of N-A-S-H gel.@en