Pub Date : 2025-12-22DOI: 10.1016/j.cemconres.2025.108124
Weihuan Li , Chenchen Xiong , Yang Zhou , Yangzezhi Zheng , Jiarui Xing , Yanji Jin , Yulin Wang
Mineral dissolution is a critical phenomenon in various fields, particularly in the early hydration of Portland cement. Despite its importance, atomic-scale mechanisms remain elusive due to limitations in experimental and computational methods. Using an efficient sampling strategy that integrates metadynamics and targeted molecular dynamics, we developed a deep learning interatomic potential with quantum-level accuracy and scalable computational efficiency to reveal the dissolution mechanisms of tricalcium aluminate (C3A). The results uncover distinct dissociation pathways of calcium and aluminate ions. Specifically, Ca ions follow a ligand-exchange mechanism, preferentially transitioning to an unsaturated coordination state before bonding with water molecules. Conversely, Al ions first coordinate with water molecules to reach a supersaturated coordination state, which promotes the opening of six-membered rings and the cleavage of Al ions. This work elucidates the thermodynamics of C3A dissolution, deepening the understanding of mineral-water interfacial reactions, and provides an efficient, accurate approach for probing complex reaction pathways.
{"title":"Deciphering the initial hydration reaction of tricalcium aluminate based on Ab initio-accurate machine learning force field","authors":"Weihuan Li , Chenchen Xiong , Yang Zhou , Yangzezhi Zheng , Jiarui Xing , Yanji Jin , Yulin Wang","doi":"10.1016/j.cemconres.2025.108124","DOIUrl":"10.1016/j.cemconres.2025.108124","url":null,"abstract":"<div><div>Mineral dissolution is a critical phenomenon in various fields, particularly in the early hydration of Portland cement. Despite its importance, atomic-scale mechanisms remain elusive due to limitations in experimental and computational methods. Using an efficient sampling strategy that integrates metadynamics and targeted molecular dynamics, we developed a deep learning interatomic potential with quantum-level accuracy and scalable computational efficiency to reveal the dissolution mechanisms of tricalcium aluminate (C<sub>3</sub>A). The results uncover distinct dissociation pathways of calcium and aluminate ions. Specifically, Ca ions follow a ligand-exchange mechanism, preferentially transitioning to an unsaturated coordination state before bonding with water molecules. Conversely, Al ions first coordinate with water molecules to reach a supersaturated coordination state, which promotes the opening of six-membered rings and the cleavage of Al ions. This work elucidates the thermodynamics of C<sub>3</sub>A dissolution, deepening the understanding of mineral-water interfacial reactions, and provides an efficient, accurate approach for probing complex reaction pathways.</div></div>","PeriodicalId":266,"journal":{"name":"Cement and Concrete Research","volume":"201 ","pages":"Article 108124"},"PeriodicalIF":13.1,"publicationDate":"2025-12-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145813726","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2025-12-22DOI: 10.1016/j.cemconres.2025.108117
Huaming Liang , Hanlin Zou , Huan Wang , Zhendi Wang , Chunsheng Zhou
To quantify the correlation between dynamic drying shrinkage and pore-scale water removal kinetics, the pore-scale water allocation and dynamic shrinkage of white cement pastes upon drying at 75%, 43%, and 11% RHs were monitored and analyzed. Experimental results show a bilinear dependence of dynamic shrinkage on the removals of interlayer and gel water within CSH gel irrespective of RHs. CSH gel behaves like flexible hydrous sponges skewered by a stiff skeleton. Although CSH sponges lose water and contract remarkably upon drying, the spatial constraint of skeleton limits the deformation of pastes. Consequently, only 0.72% to 4.23% of interlayer and gel water losses are translated into measurable shrinkage. The removal of gel water contributes to shrinkage more than that of interlayer water due to the larger size of gel pores, though both their contributions decrease with declining RH and become similar. Mitigating shrinkage necessitates reducing CSH contraction and enhancing skeleton stiffness.
{"title":"Quantitative dependence of dynamic drying shrinkage of white cement pastes on pore-scale water removal kinetics","authors":"Huaming Liang , Hanlin Zou , Huan Wang , Zhendi Wang , Chunsheng Zhou","doi":"10.1016/j.cemconres.2025.108117","DOIUrl":"10.1016/j.cemconres.2025.108117","url":null,"abstract":"<div><div>To quantify the correlation between dynamic drying shrinkage and pore-scale water removal kinetics, the pore-scale water allocation and dynamic shrinkage of white cement pastes upon drying at 75%, 43%, and 11% RHs were monitored and analyzed. Experimental results show a bilinear dependence of dynamic shrinkage on the removals of interlayer and gel water within C<img>S<img>H gel irrespective of RHs. C<img>S<img>H gel behaves like flexible hydrous sponges skewered by a stiff skeleton. Although C<img>S<img>H sponges lose water and contract remarkably upon drying, the spatial constraint of skeleton limits the deformation of pastes. Consequently, only 0.72% to 4.23% of interlayer and gel water losses are translated into measurable shrinkage. The removal of gel water contributes to shrinkage more than that of interlayer water due to the larger size of gel pores, though both their contributions decrease with declining RH and become similar. Mitigating shrinkage necessitates reducing C<img>S<img>H contraction and enhancing skeleton stiffness.</div></div>","PeriodicalId":266,"journal":{"name":"Cement and Concrete Research","volume":"201 ","pages":"Article 108117"},"PeriodicalIF":13.1,"publicationDate":"2025-12-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145812862","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2025-12-22DOI: 10.1016/j.cemconres.2025.108119
Lang Pang , Jianwei Sun , John L. Provis , Barbara Lothenbach , Bin Ma , Dengquan Wang
The disposal of electrolytic manganese residue (EMR) is a critical challenge. This study introduces an EMR-blast furnace slag-Ca(OH)2 cementitious system (EGCH), utilizing the gypsum in EMR to activate the slag to form a product resembling a supersulfated cement. With up to 40 % EMR incorporation, it achieves compressive strengths of 16.8 MPa at 3 d and 33.2 MPa at 28 days. The primary reaction products are AFt, C-A-S-H and hydrotalcite. A thermodynamic simulation-assisted iterative calculation was developed and validated by pore solution analysis, to accurately quantify phase evolution. EMR content significantly influences the reaction and results in distinct exothermic profiles. The optimal 40 % EMR content results in the densest microstructure due to the balanced formation of AFt and C-A-S-H. Mn is immobilized in EGCH with two barriers to its leaching and cannot leach out until the pH drops below 7. This binder offers a practical solution for the utilization of EMR.
电解锰渣（EMR）的处理是一个严峻的挑战。本研究介绍了EMR-高炉矿渣- ca (OH)2胶凝体系（EGCH），利用EMR中的石膏活化矿渣，形成类似超硫酸盐水泥的产品。EMR掺入量高达40%，3d抗压强度为16.8 MPa， 28天抗压强度为33.2 MPa。主要反应产物为AFt、C-A-S-H和水滑石。建立了一种热力学模拟辅助迭代计算方法，并通过孔隙溶液分析验证了该方法的准确性。EMR含量显著影响反应并导致不同的放热曲线。最佳EMR含量为40%时，由于AFt和C-A-S-H的形成平衡，导致微观结构最致密。Mn被固定在EGCH中，有两种阻碍其浸出的障碍，直到pH降至7以下才会浸出。这种粘合剂为电子病历的利用提供了一种实用的解决方案。
{"title":"Thermodynamic simulation-assisted design of the electrolytic manganese residue-slag-Ca(OH)2 cementitious system: Reaction and Mn immobilization","authors":"Lang Pang , Jianwei Sun , John L. Provis , Barbara Lothenbach , Bin Ma , Dengquan Wang","doi":"10.1016/j.cemconres.2025.108119","DOIUrl":"10.1016/j.cemconres.2025.108119","url":null,"abstract":"<div><div>The disposal of electrolytic manganese residue (EMR) is a critical challenge. This study introduces an EMR-blast furnace slag-Ca(OH)<sub>2</sub> cementitious system (EG<sup>CH</sup>), utilizing the gypsum in EMR to activate the slag to form a product resembling a supersulfated cement. With up to 40 % EMR incorporation, it achieves compressive strengths of 16.8 MPa at 3 d and 33.2 MPa at 28 days. The primary reaction products are AFt, C-A-S-H and hydrotalcite. A thermodynamic simulation-assisted iterative calculation was developed and validated by pore solution analysis, to accurately quantify phase evolution. EMR content significantly influences the reaction and results in distinct exothermic profiles. The optimal 40 % EMR content results in the densest microstructure due to the balanced formation of AFt and C-A-S-H. Mn is immobilized in EG<sup>CH</sup> with two barriers to its leaching and cannot leach out until the pH drops below 7. This binder offers a practical solution for the utilization of EMR.</div></div>","PeriodicalId":266,"journal":{"name":"Cement and Concrete Research","volume":"201 ","pages":"Article 108119"},"PeriodicalIF":13.1,"publicationDate":"2025-12-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145812864","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2025-12-20DOI: 10.1016/j.cemconres.2025.108122
Yuliang Wang, Shengnan Sha, Hailong Ye
The mechanism responsible for the reduced dispersing efficiency of polycarboxylate ether (PCE) superplasticizers in carbonate-activated slag system (AAS) remains controversial and ambiguous, particularly regarding the roles of carbonate anions and early-formed phases. This study systematically evaluated the fluidity and adsorption behavior of PCE in K₂CO₃-activated slag with varying alkali modulus and in CaO-K₂CO₃-activated slag. Results show that in K₂CO₃-activated slag systems, the inefficiency of PCE at low dosages (≤ 1 mg/g binder) is primarily due to its preferential adsorption onto early-formed calcium carbonate phases. At higher dosages (> 1 mg/g), both competitive adsorption by CO₃2− ions and conformational collapse of PCE macromolecules dominate its reduced dispersing performance. In CaO–K₂CO₃-activated systems, early-formed calcium carbonate phases still consume part of the PCE at low dosages (≤ 4 mg/g). However, CaO reduces CO₃2− ion concentration, weakening competitive adsorption and improving PCE dispersing efficiency compared to K₂CO₃-activated systems.
{"title":"The role of carbonate anions and early-formed phases on the efficiency of PCE in alkali-activated slag","authors":"Yuliang Wang, Shengnan Sha, Hailong Ye","doi":"10.1016/j.cemconres.2025.108122","DOIUrl":"10.1016/j.cemconres.2025.108122","url":null,"abstract":"<div><div>The mechanism responsible for the reduced dispersing efficiency of polycarboxylate ether (PCE) superplasticizers in carbonate-activated slag system (AAS) remains controversial and ambiguous, particularly regarding the roles of carbonate anions and early-formed phases. This study systematically evaluated the fluidity and adsorption behavior of PCE in K₂CO₃-activated slag with varying alkali modulus and in CaO-K₂CO₃-activated slag. Results show that in K₂CO₃-activated slag systems, the inefficiency of PCE at low dosages (≤ 1 mg/g binder) is primarily due to its preferential adsorption onto early-formed calcium carbonate phases. At higher dosages (> 1 mg/g), both competitive adsorption by CO₃<sup>2−</sup> ions and conformational collapse of PCE macromolecules dominate its reduced dispersing performance. In CaO–K₂CO₃-activated systems, early-formed calcium carbonate phases still consume part of the PCE at low dosages (≤ 4 mg/g). However, CaO reduces CO₃<sup>2−</sup> ion concentration, weakening competitive adsorption and improving PCE dispersing efficiency compared to K₂CO₃-activated systems.</div></div>","PeriodicalId":266,"journal":{"name":"Cement and Concrete Research","volume":"201 ","pages":"Article 108122"},"PeriodicalIF":13.1,"publicationDate":"2025-12-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145785099","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2025-12-20DOI: 10.1016/j.cemconres.2025.108123
Tulio Honorio , Walter Batista Bonfim , Oswaldo Cascudo
The impedance and complex electrical conductivity of C-S-H have not been directly measured, even though electromagnetic measurements are a key non-destructive technique for probing cement systems. Here, we evaluate the frequency-dependent electrical conductivity of C-S-H using molecular dynamics simulations for the first time. The effect of nanopore size is assessed for pores spanning the interlayer to the gel range, showing that interlayer conductivity is governed by subdiffusive ion dynamics while Fickean dynamics drives gel pores behavior. Ionic self-correlations dominate the conductivity, while water–ion and solid–ion contributions are smaller but non-negligible. By combining molecular dynamics with mean-field homogenization, we obtain gel-scale estimates consistent with available data (i.e., with ratio between gel conductivity and pore solution conductivity on the order of 1/100). As with other transport properties, accounting for anisotropy and associated dimensionality loss is critical for understanding electrical conductivity bottom-up. Our results provide direct evaluation of the frequency-dependent conductivity of C-S-H, offering valuable input for multiscale modeling and for interpreting electromagnetic measurements of cementitious materials.
{"title":"Impedance and electrical conductivity of C-S-H","authors":"Tulio Honorio , Walter Batista Bonfim , Oswaldo Cascudo","doi":"10.1016/j.cemconres.2025.108123","DOIUrl":"10.1016/j.cemconres.2025.108123","url":null,"abstract":"<div><div>The impedance and complex electrical conductivity of C-S-H have not been directly measured, even though electromagnetic measurements are a key non-destructive technique for probing cement systems. Here, we evaluate the frequency-dependent electrical conductivity of C-S-H using molecular dynamics simulations for the first time. The effect of nanopore size is assessed for pores spanning the interlayer to the gel range, showing that interlayer conductivity is governed by subdiffusive ion dynamics while Fickean dynamics drives gel pores behavior. Ionic self-correlations dominate the conductivity, while water–ion and solid–ion contributions are smaller but non-negligible. By combining molecular dynamics with mean-field homogenization, we obtain gel-scale estimates consistent with available data (i.e., with ratio between gel conductivity and pore solution conductivity on the order of 1/100). As with other transport properties, accounting for anisotropy and associated dimensionality loss is critical for understanding electrical conductivity bottom-up. Our results provide direct evaluation of the frequency-dependent conductivity of C-S-H, offering valuable input for multiscale modeling and for interpreting electromagnetic measurements of cementitious materials.</div></div>","PeriodicalId":266,"journal":{"name":"Cement and Concrete Research","volume":"201 ","pages":"Article 108123"},"PeriodicalIF":13.1,"publicationDate":"2025-12-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145785097","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2025-12-19DOI: 10.1016/j.cemconres.2025.108116
Mengyu Zhu , Yuxuan Chen , S.R. van der Laan , Tao Liu , Qingliang Yu
The limited hydraulic reactivity of Basic Oxygen Furnace (BOF) slag, caused by its low-aluminum and high-iron composition, restricts its high-value applications. This study employs sodium aluminate (NaAlO2, NA) as an activator, with a focus on the mechanistic role of Al(OH)4− in modulating the hydration pathways of belite in BOF slag. Systematic investigations of phase evolution, microstructural development, pore solution chemistry, and mechanical properties reveal that NA significantly enhances the early reactivity of belite and brownmillerite and promotes the formation of Si(Fe)-rich hydrogarnet and C(N)-A-S-H gels, enabling synergistic hydration between belite and brownmillerite at early ages. The NA-activated pastes develop a denser microstructure, exhibiting quadrupled early strength compared to the non-activated system. Crucially, the system demonstrates superior environmental performance, with heavy metal leaching concentrations consistently below regulatory thresholds. These findings elucidate the activation mechanisms of NA and propose a viable strategy for advanced BOF slag utilization.
碱性氧炉（BOF）炉渣由于其低铝高铁的成分，导致其水力反应性有限，制约了其高价值应用。本研究采用铝酸钠（NaAlO2， NA）作为活化剂，重点研究了Al(OH)4−在转炉炉渣中调节白石水化途径的机理。系统的相演化、微观结构发育、孔隙溶液化学和力学性能研究表明，NA显著增强了白橄榄石和褐粒石的早期反应活性，促进了富Si（Fe）水榴石和C(N) a - s - h凝胶的形成，使白橄榄石和褐粒石在早期发生协同水化作用。与未激活的体系相比，na激活的膏体具有更致密的微观结构，表现出四倍的早期强度。至关重要的是，该系统表现出优越的环保性能，重金属浸出浓度始终低于监管阈值。这些发现阐明了NA的活化机理，并为转炉炉渣的高级利用提出了可行的策略。
{"title":"Sodium aluminate activated BOF steel slag: Impact of Al(OH)4− on reaction mechanism","authors":"Mengyu Zhu , Yuxuan Chen , S.R. van der Laan , Tao Liu , Qingliang Yu","doi":"10.1016/j.cemconres.2025.108116","DOIUrl":"10.1016/j.cemconres.2025.108116","url":null,"abstract":"<div><div>The limited hydraulic reactivity of Basic Oxygen Furnace (BOF) slag, caused by its low-aluminum and high-iron composition, restricts its high-value applications. This study employs sodium aluminate (NaAlO<sub>2</sub>, NA) as an activator, with a focus on the mechanistic role of Al(OH)<sub>4</sub><sup>−</sup> in modulating the hydration pathways of belite in BOF slag. Systematic investigations of phase evolution, microstructural development, pore solution chemistry, and mechanical properties reveal that NA significantly enhances the early reactivity of belite and brownmillerite and promotes the formation of Si(Fe)-rich hydrogarnet and C(N)-A-S-H gels, enabling synergistic hydration between belite and brownmillerite at early ages. The NA-activated pastes develop a denser microstructure, exhibiting quadrupled early strength compared to the non-activated system. Crucially, the system demonstrates superior environmental performance, with heavy metal leaching concentrations consistently below regulatory thresholds. These findings elucidate the activation mechanisms of NA and propose a viable strategy for advanced BOF slag utilization.</div></div>","PeriodicalId":266,"journal":{"name":"Cement and Concrete Research","volume":"201 ","pages":"Article 108116"},"PeriodicalIF":13.1,"publicationDate":"2025-12-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145785100","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2025-12-18DOI: 10.1016/j.cemconres.2025.108103
Jesus López-Salas, J. Ivan Escalante-García
The synergistic activation of a novel one-part volcanic pumice-PC hybrid binder with a Na₂SO₄-Al₂(SO₄)₃-Ca(OH)₂ (NŜ-AŜ-CH) ternary system was elucidated using a suite of advanced characterization techniques. The reaction proceeds via two distinct pathways: a rapid sulfatic pathway, where Al₂(SO₄)₃ promotes ettringite (AFt) formation for early strength, and a primary alkaline pathway, where the Na₂SO₄-Ca(OH)₂ synergy generates in-situ NaOH, driving VP dissolution and C-(N)-A-S-H formation. This resulted in a nearly threefold increase in 1-day strength, with optimized binders reaching over 70 MPa at 90 days. Long-term analysis reveals the “dual role” of AS, as its persistent AFt provides microstructural reinforcement. This leads to a “composite strength mechanism,” a key finding where high strength is achieved even in systems with a less polymerized silicate network (low Mean Chain Length). The NS-CH synergy, in contrast, is the primary driver for high polymerization, informing a new model for designing sustainable binders.
采用一系列先进的表征技术，研究了一种新型的单组分火山浮石- pc复合粘结剂与Na₂SO₄-Al₂（SO₄）₃-Ca（OH）₂（NŜ-AŜ-CH）三元体系的协同活化作用。反应通过两种不同的途径进行：快速硫酸途径，其中Al₂（SO₄）₃促进钙矾石（AFt）的形成以获得早期强度；初级碱性途径，其中Na₂SO₄- ca (OH) 2协同作用产生原位NaOH，驱动VP溶解和C-(N) a -s - h的形成。这使得1天的强度增加了近3倍，优化后的粘合剂在90天的强度超过70 MPa。长期分析揭示了AS的“双重作用”，因为其持久的AFt提供了微观结构的强化。这导致了“复合强度机制”，这是一个关键的发现，即使在具有较少聚合硅酸盐网络（低平均链长）的系统中也能实现高强度。相比之下，NS-CH协同作用是高聚合的主要驱动因素，为设计可持续粘合剂提供了新的模型。
{"title":"Synergistic sulfate-alkaline activation of one-part volcanic pumice–cement binders: Mechanisms and microstructural evolution","authors":"Jesus López-Salas, J. Ivan Escalante-García","doi":"10.1016/j.cemconres.2025.108103","DOIUrl":"10.1016/j.cemconres.2025.108103","url":null,"abstract":"<div><div>The synergistic activation of a novel one-part volcanic pumice-PC hybrid binder with a Na₂SO₄-Al₂(SO₄)₃-Ca(OH)₂ (NŜ-AŜ-CH) ternary system was elucidated using a suite of advanced characterization techniques. The reaction proceeds via two distinct pathways: a rapid sulfatic pathway, where Al₂(SO₄)₃ promotes ettringite (AFt) formation for early strength, and a primary alkaline pathway, where the Na₂SO₄-Ca(OH)₂ synergy generates in-situ NaOH, driving VP dissolution and C-(N)-A-S-H formation. This resulted in a nearly threefold increase in 1-day strength, with optimized binders reaching over 70 MPa at 90 days. Long-term analysis reveals the “dual role” of AS, as its persistent AFt provides microstructural reinforcement. This leads to a “composite strength mechanism,” a key finding where high strength is achieved even in systems with a less polymerized silicate network (low Mean Chain Length). The NS-CH synergy, in contrast, is the primary driver for high polymerization, informing a new model for designing sustainable binders.</div></div>","PeriodicalId":266,"journal":{"name":"Cement and Concrete Research","volume":"201 ","pages":"Article 108103"},"PeriodicalIF":13.1,"publicationDate":"2025-12-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145785131","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2025-12-18DOI: 10.1016/j.cemconres.2025.108120
Hengrui Liu , Kaiyin Zhao , Shipeng Zhang , Hanghua Zhang , Shuangshuang Liu , Lucen Hao , Hongyan Ma , Kamal Khayat , Chi Sun Poon
The evolution of microstructure in cementitious materials during their transition from fluid to solid state plays a critical role in determining their ultimate mechanical strength and overall performance. This hydration stage primarily involves a dynamic densification process occurring within the colloidal network. However, the field of cement-based materials currently lacks a comprehensive theoretical framework and associated parameters capable of effectively characterizing the specific structural regions within this network. In this study, we propose an Improved Particle Linkage (IPL) theory for describing the strength, types, and quantities of particle linkages within colloidal network. The IPL theory classifies the internal network structure into three distinct regions, namely the αweak, βstrong and γinherent. The γinherent and βstrong region predominantly influence the strength of the colloidal network at the initial and later hydration stages, respectively, whereas the αweak region contributes steadily to the network strength across all hydration stages. Furthermore, the progressive intensification of the βstrong region during hydration is identified as the principal driving factor for microstructural evolution, leading to a critical transition point in fresh properties. Additionally, a novel parameter, termed the network hydration index (ξ), to quantitatively characterize the overall degree of hydration within the colloidal network is establishment.
{"title":"New insights into dynamic evolution of colloidal network structure during early-age hardening of cementitious materials","authors":"Hengrui Liu , Kaiyin Zhao , Shipeng Zhang , Hanghua Zhang , Shuangshuang Liu , Lucen Hao , Hongyan Ma , Kamal Khayat , Chi Sun Poon","doi":"10.1016/j.cemconres.2025.108120","DOIUrl":"10.1016/j.cemconres.2025.108120","url":null,"abstract":"<div><div>The evolution of microstructure in cementitious materials during their transition from fluid to solid state plays a critical role in determining their ultimate mechanical strength and overall performance. This hydration stage primarily involves a dynamic densification process occurring within the colloidal network. However, the field of cement-based materials currently lacks a comprehensive theoretical framework and associated parameters capable of effectively characterizing the specific structural regions within this network. In this study, we propose an Improved Particle Linkage (IPL) theory for describing the strength, types, and quantities of particle linkages within colloidal network. The IPL theory classifies the internal network structure into three distinct regions, namely the α<sub>weak</sub>, β<sub>strong</sub> and γ<sub>inherent</sub>. The γ<sub>inherent</sub> and β<sub>strong</sub> region predominantly influence the strength of the colloidal network at the initial and later hydration stages, respectively, whereas the α<sub>weak</sub> region contributes steadily to the network strength across all hydration stages. Furthermore, the progressive intensification of the β<sub>strong</sub> region during hydration is identified as the principal driving factor for microstructural evolution, leading to a critical transition point in fresh properties. Additionally, a novel parameter, termed the network hydration index (ξ), to quantitatively characterize the overall degree of hydration within the colloidal network is establishment.</div></div>","PeriodicalId":266,"journal":{"name":"Cement and Concrete Research","volume":"201 ","pages":"Article 108120"},"PeriodicalIF":13.1,"publicationDate":"2025-12-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145785132","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2025-12-17DOI: 10.1016/j.cemconres.2025.108102
José S. Andrade Neto , Ivo C. Carvalho , Henrique A. Santana , Paulo Matos , Ana Paula Kirchheim
This study applied a statistical mixture design to assess the influence of clinker composition and mineralogy on early hydration and strength. Twenty-one mixtures were prepared using six industrial clinkers with distinct mineralogical characteristics. Hydration was assessed using isothermal calorimetry, X-ray diffraction (XRD) and thermogravimetric analysis (TGA). Compressive strength was measured at 1 and 28 days. The results revealed that alkali content (Na2Oeq) was the most influential parameter controlling cumulative heat release up to 72 h. Interestingly, no clear correlation was observed between bulk phase content and early strength, emphasizing that mineralogical composition alone is not a reliable predictor of performance. These findings underscore the complexity of hydration mechanisms and highlight the importance of controlling clinker chemistry and mineralogy. Moreover, statistical mixture design proved an effective tool for exploring multivariate interactions governing hydration and strength development.
{"title":"The role of clinker mineralogy in cement properties: An analysis using statistical mixture design","authors":"José S. Andrade Neto , Ivo C. Carvalho , Henrique A. Santana , Paulo Matos , Ana Paula Kirchheim","doi":"10.1016/j.cemconres.2025.108102","DOIUrl":"10.1016/j.cemconres.2025.108102","url":null,"abstract":"<div><div>This study applied a statistical mixture design to assess the influence of clinker composition and mineralogy on early hydration and strength. Twenty-one mixtures were prepared using six industrial clinkers with distinct mineralogical characteristics. Hydration was assessed using isothermal calorimetry, X-ray diffraction (XRD) and thermogravimetric analysis (TGA). Compressive strength was measured at 1 and 28 days. The results revealed that alkali content (Na<sub>2</sub>Oeq) was the most influential parameter controlling cumulative heat release up to 72 h. Interestingly, no clear correlation was observed between bulk phase content and early strength, emphasizing that mineralogical composition alone is not a reliable predictor of performance. These findings underscore the complexity of hydration mechanisms and highlight the importance of controlling clinker chemistry and mineralogy. Moreover, statistical mixture design proved an effective tool for exploring multivariate interactions governing hydration and strength development.</div></div>","PeriodicalId":266,"journal":{"name":"Cement and Concrete Research","volume":"201 ","pages":"Article 108102"},"PeriodicalIF":13.1,"publicationDate":"2025-12-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145797700","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2025-12-17DOI: 10.1016/j.cemconres.2025.108115
Changqing Wang , Yuelan Lu , Zhiming Ma
This study systematically explores the interfacial transition zone (ITZ) strengthening mechanisms in microfiber-reinforced recycled cementitious composites (MF-RCC) under carbonation treatment, primarily through quantitative nanoindentation mapping combined with supportive 4D CT imaging. Nanoindentation was innovatively adopted to quantify ITZ enhancement, revealing significant increases of approximately 42 % in local hardness and 48 % in elastic modulus after carbonation. A statistical deconvolution model was established to interpret the nanoindentation data, clearly showing a shift toward higher hardness and reduced variability (homogeneity improved by approximately 35 %) in the carbonated specimens. Complementary 4D CT characterization validated these findings, indicating a noticeable reduction of porosity by approximately 40 %, thus supporting the mechanical densification of the ITZ. The integrated nanoindentation and statistical modeling results highlight carbonation combined with microfiber reinforcement as an effective approach to optimize interfacial properties and mechanical stability, providing quantitative insights for the sustainable design of recycled cementitious materials.
{"title":"Quantitative characterization of interfacial enhancement in microfiber-reinforced recycled cementitious composites after carbonation using nanoindentation combined with 4D CT","authors":"Changqing Wang , Yuelan Lu , Zhiming Ma","doi":"10.1016/j.cemconres.2025.108115","DOIUrl":"10.1016/j.cemconres.2025.108115","url":null,"abstract":"<div><div>This study systematically explores the interfacial transition zone (ITZ) strengthening mechanisms in microfiber-reinforced recycled cementitious composites (MF-RCC) under carbonation treatment, primarily through quantitative nanoindentation mapping combined with supportive 4D CT imaging. Nanoindentation was innovatively adopted to quantify ITZ enhancement, revealing significant increases of approximately 42 % in local hardness and 48 % in elastic modulus after carbonation. A statistical deconvolution model was established to interpret the nanoindentation data, clearly showing a shift toward higher hardness and reduced variability (homogeneity improved by approximately 35 %) in the carbonated specimens. Complementary 4D CT characterization validated these findings, indicating a noticeable reduction of porosity by approximately 40 %, thus supporting the mechanical densification of the ITZ. The integrated nanoindentation and statistical modeling results highlight carbonation combined with microfiber reinforcement as an effective approach to optimize interfacial properties and mechanical stability, providing quantitative insights for the sustainable design of recycled cementitious materials.</div></div>","PeriodicalId":266,"journal":{"name":"Cement and Concrete Research","volume":"201 ","pages":"Article 108115"},"PeriodicalIF":13.1,"publicationDate":"2025-12-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145797701","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
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