Cement and Concrete Research最新文献_第8页

Tailoring neutron-shielding boron-metakaolin geopolymers with B4C filler: Surfactant-driven interfacial and microstructural control 含有B4C填料的定制中子屏蔽硼偏高岭土聚合物：表面活性剂驱动的界面和微观结构控制

IF 13.1 1区工程技术 Q1 CONSTRUCTION & BUILDING TECHNOLOGY

Cement and Concrete Research

Pub Date : 2026-02-01 Epub Date: 2025-11-27 DOI: 10.1016/j.cemconres.2025.108096

Xiaobo Niu , Yogarajah Elakneswaran , Ryosuke Kikuchi , Ang Li , Sivasubramaniam Seralathan , Yoshihisa Hiraki , Junya Sato , Takeshi Osugi , Takashi Kamiyama , Brant Walkley

The incorporation of boron (B) as a neutron absorber into metakaolin-based geopolymers for the remediation of radioactive debris following nuclear accidents has attracted considerable attention. In this study, boron carbide (B₄C) was employed as a functional filler, while cetyltrimethylammonium bromide (CTAB) acted as both a dispersant and a stabiliser to enhance the neutron shielding properties of metakaolin-based geopolymers. Although the addition of B₄C improved processability via a “roller-ball” effect and had no discernible impact on the geopolymerisation process, its weakly polar, negatively charged surface led to the formation of a loose, weak-shell interfacial transition zone (ITZ) between the filler and the matrix, thereby reducing mechanical strength and chemical stability. In contrast, CTAB self-assembled into an interdigitated monolayer on the B₄C surface, reversing its surface charge to positive and promoting its uniform dispersion within the matrix. While CTAB slightly inhibited the dissolution of metakaolin, it preferentially interacted with B₄C, thereby mitigating the adverse effects on the geopolymerisation process. Moreover, CTAB promoted gelation within the ITZ surrounding B₄C, facilitating the development of a dense, potassium-deficient, yet electrostatically stabilised microstructure. This synergistic interaction enhanced interfacial bonding between the filler and the matrix, enabled efficient stress transfer, and significantly improved mechanical performance and chemical stability. Furthermore, the B₄C–CTAB-modified geopolymers demonstrated enhanced neutron shielding performance. Overall, this work offers a promising approach for engineering high-performance, multifunctional geopolymer composites for nuclear and environmental applications.

将硼(B)作为中子吸收剂掺入偏高岭土聚合物中，用于核事故后放射性碎片的修复，引起了人们的广泛关注。本研究采用碳化硼（B4C）作为功能性填料，十六烷基三甲基溴化铵（CTAB）作为分散剂和稳定剂来增强偏高岭土聚合物的中子屏蔽性能。虽然B4C的加入通过“滚球”效应提高了可加工性，并且对地聚合过程没有明显的影响，但其弱极性、带负电的表面导致填料和基体之间形成松散的弱壳界面过渡区（ITZ），从而降低了机械强度和化学稳定性。相比之下，CTAB在B4C表面自组装成一个交叉的单层，使其表面电荷反转为正电荷，促进其在基质内均匀分散。虽然CTAB轻微抑制偏高岭土的溶解，但它优先与B4C相互作用，从而减轻了对地聚合过程的不利影响。此外，CTAB促进了B4C周围ITZ内的凝胶化，促进了致密、缺钾、但静电稳定的微观结构的发展。这种协同作用增强了填料和基体之间的界面结合，实现了有效的应力传递，并显著提高了机械性能和化学稳定性。此外，b4c - ctab改性地聚合物表现出增强的中子屏蔽性能。总的来说，这项工作为核和环境应用的工程高性能、多功能地聚合物复合材料提供了一条有前途的途径。

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引用次数: 0

A novel defoaming technology for cement paste by using power ultrasound treatment 功率超声处理水泥浆体消泡新技术

IF 13.1 1区工程技术 Q1 CONSTRUCTION & BUILDING TECHNOLOGY

Cement and Concrete Research

Pub Date : 2026-02-01 Epub Date: 2025-11-03 DOI: 10.1016/j.cemconres.2025.108072

Guangqi Xiong , Zheng Fang , Yuanliang Ren , Xiaolong Jia , Hongkuang Luo , Jiaxin Yang , Bo Ran , Shuai Zhou , Chong Wang

To address the limitations of conventional vibration in removing microbubbles from cement paste, this study introduces power ultrasound as a novel defoaming technology and investigates its effectiveness and mechanism. Experiments conducted at a water-to-cement ratio of 0.50, with or without air-entraining agents, and demonstrated that ultrasound treatment effectively eliminated microbubbles, as confirmed by ¹H NMR and FBRM analyses. Compared to controls, treated batches exhibited increases in compressive strength of 17.1 % and 7.3 % at 3 days, and 6.8 % and 3.8 % at 28 days. Modeling indicates that bubbles move towards the pressure node once ultrasound is applied, and whether bubble coalescence occurs is primarily governed by the secondary Bjerknes force. Coalesced bubbles will then rise due to increased buoyancy. These findings highlight the significant potential of power ultrasound as an innovative and efficient defoaming technology for cement-based materials, offering improved microstructure and mechanical performance.

为了解决常规振动去除水泥浆体微泡的局限性，本研究引入功率超声作为一种新型的消泡技术，并对其有效性和机理进行了研究。实验在水灰比为0.50时进行，有或没有引气剂，并证明超声处理有效地消除了微泡，经1H NMR和FBRM分析证实。与对照组相比，处理批次的抗压强度在3天分别增加了17.1%和7.3%，在28天分别增加了6.8%和3.8%。模拟结果表明，超声作用后气泡向压力节点移动，气泡是否聚并主要由次比约克内力决定。合并后的气泡由于浮力增加而上升。这些发现突出了功率超声作为一种创新和高效的水泥基材料消泡技术的巨大潜力，提供了改进的微观结构和机械性能。

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引用次数: 0

3D printed concrete with recycled coarse aggregate: Freeze–thaw resistance assessment and damage mechanisms 3D打印再生粗骨料混凝土：抗冻融性评估和损伤机制

IF 13.1 1区工程技术 Q1 CONSTRUCTION & BUILDING TECHNOLOGY

Cement and Concrete Research

Pub Date : 2026-02-01 Epub Date: 2025-11-29 DOI: 10.1016/j.cemconres.2025.108095

Huawei Liu , Yaxin Tao , Chao Zhu , Chao Liu , Yifei Wang , Jiao Yun , Yukun Zhang

3D printed concrete exhibits significant durability issues under freeze–thaw (F–T) conditions due to its unique pore structure, restricting its widespread application in cold regions. In this study, the frost resistance of 3D printed recycled aggregate concrete (3DPRAC) was systematically evaluated at different recycled coarse aggregate (RCA) replacement ratios (0 %, 50 %, and 100 %), and the underlying damage mechanisms induced by F–T cycles were elucidated. Results indicated that the frost resistance of 3DPRAC was notably inferior to cast concrete and further deteriorated nonlinearly with increasing RCA replacement ratios. Ellipsoidal pores within 3DPRAC facilitated ice crystal formation, accelerating crack initiation and propagation. Damage originated from the porous old mortar in RCA and dual interfacial transition zones, while ultimate failure was dominated by a multi-interface and pore structure defect system jointly formed by RCA and printed structure. This research provides theoretical insights for durability design of 3D printed concrete structures in cold-region applications.

3D打印混凝土由于其独特的孔隙结构，在冻融条件下存在严重的耐久性问题，限制了其在寒冷地区的广泛应用。在本研究中，系统评估了3D打印再生骨料混凝土（3DPRAC）在不同再生粗骨料（RCA）替代率（0%、50%和100%）下的抗冻性能，并阐明了F-T循环引起的潜在损伤机制。结果表明：3DPRAC的抗冻性能明显不如现浇混凝土，且随着RCA替换率的增加，抗冻性能呈非线性恶化；3DPRAC内部的椭球状孔隙有利于冰晶的形成，加速裂纹的萌生和扩展。损伤源于RCA和双界面过渡区的多孔旧砂浆，最终破坏以RCA和印刷结构共同形成的多界面和孔隙结构缺陷体系为主。本研究为寒冷地区应用的3D打印混凝土结构耐久性设计提供了理论见解。

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引用次数: 0

Co-calcination of limestone and clay enhances the performance of limestone calcined clay cement (LC3) 石灰石与粘土共煅烧提高了石灰石煅烧粘土水泥（LC3）的性能

IF 13.1 1区工程技术 Q1 CONSTRUCTION & BUILDING TECHNOLOGY

Cement and Concrete Research

Pub Date : 2026-02-01 Epub Date: 2025-10-24 DOI: 10.1016/j.cemconres.2025.108069

Oluwadamilare Charles Adesina , Sahil Surehali , Avinaya Tripathi , Kayla Lauren Lee , Bryan K. Aylas-Paredes , Aditya Kumar , Narayanan Neithalath

Limestone-calcined clay cements (

{LC}^{3}

) reduce the environmental impact of cement production and accelerate the industry transition toward carbon neutrality. While conventional

{LC}^{3}

with 50% clinker replacement (

{LC}^{3}

-50) demonstrate long-term performance comparable to ordinary Portland cement (OPC) in concrete, early-age performance is generally compromised. This study explores for the first time, joint thermal treatment—that is, co-calcination—of limestone (LS) and bulk kaolinitic clay in mass ratios of 1:1 to 1:4 under a calcination regime specifically designed to ensure activation of the clay mineral. The co-calcination converts a small fraction of LS to metastable CaO, thus providing an additional reactive calcium source during hydration. Microstructural, kinetic, and thermodynamic studies on systems with 50% clinker replacement are used to quantify enhanced early-stage in situ formation of portlandite, which promotes the precipitation of

C - (A) - S - H

and carboaluminate hydrates, that refine the pore structure and improve early-age strength—even in systems with low calcined clay content. A performance-efficiency index is used to indicate the improved mechanical and environmental performance of co-calcined blends as compared to traditional

{LC}^{3}

. The approach offers a potential pathway to achieving higher clinker substitution levels.

石灰石煅烧粘土水泥（LC3）减少了水泥生产对环境的影响，加速了行业向碳中和的过渡。虽然替代50%熟料的传统LC3 （LC3-50）在混凝土中表现出与普通波特兰水泥（OPC）相当的长期性能，但早期性能通常会受到损害。本研究首次探索了石灰石（LS）和大块高岭石粘土的联合热处理-即共煅烧-在专门设计的煅烧制度下，以1:1至1:4的质量比确保粘土矿物的活化。共煅烧将一小部分LS转化为亚稳CaO，从而在水化过程中提供了额外的活性钙源。通过对熟料替换率为50%的体系进行微观结构、动力学和热力学研究，量化了波特兰岩早期原位形成的增强，这促进了C−A−S−H和碳铝酸盐水合物的沉淀，从而改善了孔隙结构，提高了早期强度——即使在煅烧粘土含量较低的体系中也是如此。性能效率指数用于表明与传统LC3相比，共烧共混物的机械和环境性能有所改善。该方法为实现更高的熟料替代水平提供了一条潜在途径。

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引用次数: 0

A high-efficiency neuroevolution potential for tobermorite and calcium silicate hydrate systems with ab initio accuracy 一个高效神经进化潜力的托贝莫来石和水合硅酸钙系统从头算的准确性

IF 13.1 1区工程技术 Q1 CONSTRUCTION & BUILDING TECHNOLOGY

Cement and Concrete Research

Pub Date : 2026-02-01 Epub Date: 2025-11-19 DOI: 10.1016/j.cemconres.2025.108091

Xiao Xu , Shijie Wang , Haifeng Qin , Zhiqiang Zhao , Zheyong Fan , Zhuhua Zhang , Hang Yin

Tobermorite and Calcium Silicate Hydrate (C-S-H) systems are indispensable cement materials but still lack a satisfactory interatomic potential with both high accuracy and high computational efficiency for better understanding their mechanical performance. Here, we develop a Neuroevolution Machine Learning Potential (NEP) with Ziegler-Biersack-Littmark hybrid framework for tobermorite and C-S-H systems, which conveys unprecedented efficiency in molecular dynamics simulations with substantially reduced training datasets. Our NEP model achieves prediction accuracy comparable to DFT calculations using just around 400 training structures, significantly fewer than other existing machine learning potentials trained for tobermorite. Critically, the GPU-accelerated NEP computations enable scalable simulations of large tobermorite systems, reaching several thousand atoms per GPU card with high efficiency. We demonstrate the NEP's versatility by accurately predicting mechanical properties, phonon density of states, and thermal conductivity of tobermorite. Furthermore, we extend the NEP application to large-scale simulations of amorphous C-S-H, highlighting its potential for comprehensive analysis of structural and mechanical behaviors under various realistic conditions.

托贝莫来石和水合硅酸钙（C-S-H）体系是不可缺少的水泥材料，但仍缺乏令人满意的高精度和高计算效率的原子间势，以更好地了解它们的力学性能。在这里，我们为tobermorite和C-S-H系统开发了一个基于Ziegler-Biersack-Littmark混合框架的神经进化机器学习潜力（NEP），它在分子动力学模拟中具有前所未有的效率，大大减少了训练数据集。我们的NEP模型使用大约400个训练结构实现了与DFT计算相当的预测精度，明显少于其他现有的用于托贝莫里石训练的机器学习潜力。关键的是，GPU加速的NEP计算使大型tobermorite系统的可扩展模拟成为可能，每个GPU卡可以高效地达到数千个原子。我们通过准确预测tobermorite的力学性能、声子密度和导热性来证明NEP的多功能性。此外，我们将NEP应用扩展到非晶C-S-H的大规模模拟，突出了其在各种现实条件下综合分析结构和力学行为的潜力。

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引用次数: 0

Thermodynamic properties of ternesite (Ca5(SiO4)2SO4) from 0 K up to clinkering temperatures 钙镁铁石（Ca5(SiO4)2SO4）从0 K到熟化温度的热力学性质

IF 13.1 1区工程技术 Q1 CONSTRUCTION & BUILDING TECHNOLOGY

Cement and Concrete Research

Pub Date : 2026-02-01 Epub Date: 2025-11-21 DOI: 10.1016/j.cemconres.2025.108090

Chancel Mawalala Moundounga , Wahab Abdul , Alexander Pisch , Gavin B.G. Stenning , Cecilia Pesce , Theodore Hanein

Ternesite (Ca₅(SiO₄)₂SO₄) is a cementitious phase that can be found in the production of calcium sulfoaluminate (CSA) based cements and other alternative binders. Ternesite has received interest due to its potential hydraulic reactivity (under certain conditions) whilst having a low temperature of formation. Despite this, the ternesite phase is not thermodynamically well understood, reducing the ability to accurately model its formation, stability and phase co-existence in clinker. In this work, pure ternesite was synthesised and the high temperature heat content (874–1174 K) and low temperature heat capacity (2−302K) was measured using drop calorimetry and PPMS respectively. These data were then combined with enthalpy of formation results from DFT and previous experiments to model the thermodynamics properties of ternesite using the 3rd generation CALPHAD function. This allows for a single function to describe the thermodynamic properties of ternesite for use in extending existing thermodynamic databases as part of predictive calculations at a temperature range from 0 K to above the clinkering temperature.

钙钛矿（Ca5(SiO4)2SO4）是一种胶凝相，可用于生产基于硫铝酸钙（CSA）的水泥和其他替代粘合剂。特立石由于其潜在的水力反应性（在一定条件下）和地层温度较低而引起了人们的兴趣。尽管如此，人们还没有很好地理解铁辉石相的热力学性质，这降低了准确模拟其形成、稳定性和在熟料中相共存的能力。本文合成了纯钛镍石，并分别采用滴量热法和PPMS法测定了高温热含量（874 ~ 1174 K）和低温热容（2 ~ 302K）。然后，将这些数据与DFT的生成焓结果和之前的实验结果结合起来，使用第三代CALPHAD函数来模拟铁氏体的热力学性质。这允许一个单一的函数来描述铝镁石的热力学性质，用于扩展现有的热力学数据库，作为预测计算的一部分，温度范围从0 K到高于熟化温度。

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引用次数: 0

Accelerated carbonation fronts in cement pastes: Mechanistic insights and simplified modeling 水泥浆体中的加速碳化前沿：力学见解和简化建模

IF 13.1 1区工程技术 Q1 CONSTRUCTION & BUILDING TECHNOLOGY

Cement and Concrete Research

Pub Date : 2026-01-01 Epub Date: 2025-10-09 DOI: 10.1016/j.cemconres.2025.108050

Luge Cheng , Ryo Kurihara , Zhenli Yang , Takahiro Ohkubo , Ryoma Kitagaki , Atsushi Teramoto , Yuya Suda , Ippei Maruyama

This study investigated the carbonation behavior of ordinary Portland cement (OPC), volcanic glass powder (VGP), and limestone-calcined clay cement (LC³) pastes, focusing on the water content distribution, phase assemblages, and microstructural evolution. Spatiotemporal changes in water and mineral phases were tracked using proton nuclear magnetic resonance relaxometry and micro-X-ray diffraction, respectively. A simplified model reproduced the drying front, defined by a material-specific threshold water content, which aligned closely with the experimentally measured carbonation front. This confirmed that carbonation progression is governed by water diffusion, referred to as the “plugging effect”. Furthermore, carbonation advanced until empty space increased to approximately 18 %, resulting from the decalcification-induced agglomeration of calcium (alumino) silicate hydrate (C–(A)–S–H). This limit was consistently observed across pastes with varying Ca/(Si + Al) ratios. These findings provide mechanistic insight into carbonation front development and offer a physically grounded criterion for predicting carbonation depth and assessing CO₂ uptake in sustainable cementitious materials.

本研究研究了普通硅酸盐水泥（OPC）、火山玻璃粉（VGP）和石灰石煅烧粘土水泥（LC3）的碳化行为，重点研究了其含水量分布、相组合和微观结构演变。利用质子核磁共振弛豫仪和微x射线衍射分别跟踪了水相和矿物相的时空变化。一个简化的模型再现了干燥锋，由特定材料的阈值含水量定义，这与实验测量的碳化锋密切相关。这证实了碳酸化过程是由水扩散控制的，称为“堵塞效应”。此外，由于脱钙引起的水合硅酸钙（铝）团聚（C - (A) - s - h），碳化作用继续推进，直到真空空间增加到约18%。这一极限在不同Ca/(Si + Al)比例的膏体中一致观察到。这些发现为碳酸化前沿的发展提供了机理见解，并为预测碳酸化深度和评估可持续胶凝材料的CO 2吸收提供了物理基础标准。

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引用次数: 0

Unravelling thermal conduction mechanisms in microwave-cured cement-based composites: Transform from phonon- to electron-based conduction channels driven by nano carbon black 微波固化水泥基复合材料的热传导机制：由纳米炭黑驱动的声子传导通道向电子传导通道的转变

IF 13.1 1区工程技术 Q1 CONSTRUCTION & BUILDING TECHNOLOGY

Cement and Concrete Research

Pub Date : 2026-01-01 Epub Date: 2025-08-19 DOI: 10.1016/j.cemconres.2025.108013

Wangyang Xu , Dingqiang Fan , Rui Yu

Microwave curing offers energy-efficient concrete treatment, but inherent thermal non-uniformity causes microstructural deterioration and potential explosion due to phonon-dominated thermal conduction. This study introduces nano carbon black (nCB) to construct electron-based conductive pathways for enhancing thermal uniformity, while clarifying the synergistic microwave-hydration mechanisms. The incorporation of nCB improved microwave absorption and constructed thermal channels within concrete, thereby promoting uniform heat distribution and increasing early-age strength by ∼70 %. Moreover, nCB-optimized microwave curing accelerated hydration, promoting C-S-H gel polymerization and modifying crystalline phases like ettringite and portlandite. Multiphysics simulations demonstrated that suitable nCB content enhanced microwave thermal conduction through constructed thermal channels, despite the inherent non-uniformity of electromagnetic fields. The dominant thermal conduction mechanism shifted from phonon- to electron-based conduction by incorporating nCB, driven by synergistic effects of dipole polarization, interfacial polarization, and conduction loss. This work offers a new strategy for optimizing microwave-curing behavior through nanoscale thermal design in cement-based composites.

微波固化是一种节能的混凝土处理方法，但其固有的热不均匀性会导致微观结构恶化，并可能因声子主导的热传导而发生爆炸。本研究引入纳米炭黑（nCB）构建电子基导电通道，提高热均匀性，同时阐明微波水化协同机理。nCB的掺入改善了微波吸收，并在混凝土内部构建了热通道，从而促进了均匀的热分布，并将早期强度提高了约70%。此外，ncb优化的微波固化加速了水化，促进了C-S-H凝胶聚合，并修饰了钙矾石和波特兰石等晶体相。多物理场模拟表明，尽管电磁场固有的不均匀性，但适当的nCB含量增强了通过构建的热通道的微波热传导。在偶极极化、界面极化和传导损失的协同作用下，加入nCB后，主要的热传导机制由声子基传导转变为电子基传导。本研究为通过纳米尺度热设计优化水泥基复合材料的微波固化行为提供了一种新的策略。

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引用次数: 0

How siderite (FeCO3) enhances the sulfate resistance of cementitious systems 菱铁矿（FeCO3）如何增强胶凝体系的抗硫酸盐性

IF 13.1 1区工程技术 Q1 CONSTRUCTION & BUILDING TECHNOLOGY

Cement and Concrete Research

Pub Date : 2026-01-01 Epub Date: 2025-08-14 DOI: 10.1016/j.cemconres.2025.108010

Marjorie Pons Pineyro , Florian R. Steindl , Isabel Galan , Augusto Cezar Maciel Soares , Florian Mittermayr

Siderite has recently emerged as a promising reactive SCM in Portland cement systems, with potential to enhance concrete durability. This study systematically investigates the resistance of siderite-containing mortars and pastes to external sulfate attack by evaluating both their expansion behavior and chemical stability in Na₂SO₄ solutions. Microstructural, mineralogical, and chemical changes were thoroughly characterized. When used either as a fine aggregate or as a partial binder replacement (10–50 wt%), siderite significantly improved the sulfate resistance of OPC systems. Remarkably, OPC–FeCO₃ blends exhibited lower expansion than even highly sulfate-resistant cements such as C₃A-free CEM I SR-0 and CEM III/B. This enhanced resistance is attributed to the partial consumption of portlandite, the stabilization of primary ettringite during hydration, and the formation of less expansive Fe-rich ettringite during sulfate exposure. Our findings highlight how highly relevant durability issues of OPC can be improved with readily available natural Fe carbonates.

菱铁矿最近作为一种很有前途的反应性SCM出现在波特兰水泥系统中，具有提高混凝土耐久性的潜力。本研究通过评估含菱铁矿砂浆和膏体在Na2SO4溶液中的膨胀行为和化学稳定性，系统地研究了它们对外部硫酸盐侵蚀的抗性。显微结构、矿物学和化学变化得到了全面的表征。当用作细骨料或部分替代粘合剂（10-50 wt%）时，菱铁矿显著提高了OPC体系的抗硫酸盐性。值得注意的是，OPC-FeCO3共混物的膨胀率甚至低于不含c3a的CEM I SR-0和CEM III/B等高抗硫酸盐水泥。这种增强的抗性是由于波特兰铁矿的部分消耗，水化过程中原生钙矾石的稳定，以及硫酸盐暴露过程中形成的膨胀较小的富铁钙矾石。我们的研究结果强调了与OPC高度相关的耐久性问题可以用现成的天然碳酸铁来改善。

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引用次数: 0

A critical review and perspectives on atomistic models of non-crystalline cementitious materials 非结晶胶凝材料原子模型的评述与展望

IF 13.1 1区工程技术 Q1 CONSTRUCTION & BUILDING TECHNOLOGY

Cement and Concrete Research

Pub Date : 2026-01-01 Epub Date: 2025-10-22 DOI: 10.1016/j.cemconres.2025.108067

Eduardo Duque-Redondo , Felipe Basquiroto de Souza , Guoqing Geng , Hegoi Manzano

The use of atomic-scale modelling in the study of cement-related materials has grown steadily. However, the complexity of the systems under investigation and disparities in length and time scales between simulations and real-world processes, has hindered a clear demonstration of simulation-driven design of cement properties. The presence of multiple components, with intricate atomic and nanoscale structures and high degrees of amorphicity, makes the construction of realistic atomic-scale models the major challenge. This paper presents a critical review of state-of-the-art models of non-crystalline cementitious materials. Special attention is given to calcium silicate hydrate (C–S–H), where recent advances in bulk and interface models, disorder quantification, and novel formation mechanisms are assessed. The review also covers other key phases, including amorphous aluminosilicates, amorphous carbonates, and magnesium silicate hydrates (M–S–H). By outlining current methodologies and limitations, this work aims to inspire new approaches and tools for advancing predictive modelling of increasingly complex cementitious systems.

原子尺度模型在水泥相关材料研究中的应用稳步增长。然而，所研究系统的复杂性，以及模拟过程与实际过程之间的长度和时间尺度差异，阻碍了模拟驱动的水泥性能设计的清晰演示。多组分的存在，具有复杂的原子和纳米级结构以及高度的非晶性，使得构建真实的原子尺度模型成为主要挑战。本文提出了非晶体胶凝材料的最先进的模型的关键审查。特别关注水合硅酸钙（C-S-H），其中评估了体积和界面模型，无序量化和新形成机制的最新进展。综述还涵盖了其他关键相，包括非晶硅铝酸盐、非晶碳酸盐和硅酸镁水合物（M-S-H）。通过概述当前的方法和局限性，这项工作旨在激发新的方法和工具，以推进日益复杂的胶凝系统的预测建模。

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引用次数: 0