2D bio-based nanomaterial as a green route to amplify the formation of hydrate phases of cement composites: Atomistic simulations and analytical characterization

Molecular dynamics study the structure, bonding, dynamic and mechanical properties of calcium silicate hydrate with ultra-confined water: Effects of nanopore size

(2021) Jia Sun et al.   CONSTRUCTION AND BUILDING MATERIALS

Structure, dynamics and mechanical properties evolution of calcium silicate hydrate induced by dehydration and dehydroxylation

(2021) Jun Yang et al.   CONSTRUCTION AND BUILDING MATERIALS

An intensive review on the role of graphene oxide in cement-based materials

(2020) Li Zhao et al.   CONSTRUCTION AND BUILDING MATERIALS

Carrot-based covalently bonded saccharides as a new 2D material for healing defective calcium-silicate-hydrate in cement: Integrating atomistic computational simulation with experimental studies

(2020) Yin Chi et al.   COMPOSITES PART B-ENGINEERING

Water's behaviour on Ca-rich tricalcium silicate surfaces for various degrees of hydration: A molecular dynamics investigation

(2019) Jérôme Claverie et al.   JOURNAL OF PHYSICS AND CHEMISTRY OF SOLIDS

Novel engineered high performance sugar beetroot 2D nanoplatelet-cementitious composites

(2019) Hasan Hasan et al.   CONSTRUCTION AND BUILDING MATERIALS

Molecular dynamics modeling of the structure, dynamics, energetics and mechanical properties of cement-polymer nanocomposite

(2019) Dongshuai Hou et al.   COMPOSITES PART B-ENGINEERING

Incinerator residual ash – Metakaolin blended cements: Effect on cement hydration and properties

(2019) Regina Kalpokaitė-Dičkuvienė et al.   CONSTRUCTION AND BUILDING MATERIALS

Cation substitution induced reactivity variation on the tricalcium silicate polymorphs determined from first-principles calculations

(2019) Qianqian Wang et al.   CONSTRUCTION AND BUILDING MATERIALS

Reactivity of supplementary cementitious materials (SCMs) in cement blends

(2019) Jørgen Skibsted et al.   CEMENT AND CONCRETE RESEARCH

The cement industry on the way to a low-carbon future

(2019) Martin Schneider   CEMENT AND CONCRETE RESEARCH

Advances in understanding cement hydration mechanisms

(2019) Karen Scrivener et al.   CEMENT AND CONCRETE RESEARCH

Wrinkling behavior of graphene on substrates with different surface morphologies

(2019) Diming Ru et al.   MECHANICS OF MATERIALS

Effect of interfacial transition zone on the Young's modulus of carbon nanofiber reinforced cement concrete

(2018) Xingyi Zhu et al.   CEMENT AND CONCRETE RESEARCH

Nano-engineering of construction materials using molecular dynamics simulations: Prospects and challenges

(2018) Denvid Lau et al.   COMPOSITES PART B-ENGINEERING

Reactive molecular dynamics simulation of the mechanical behavior of sodium aluminosilicate geopolymer and calcium silicate hydrate composites

(2018) Mohammad Rafat Sadat et al.   COMPUTATIONAL MATERIALS SCIENCE

Mechanical properties of C-S-H globules and interfaces by molecular dynamics simulation

(2018) Ding Fan et al.   CONSTRUCTION AND BUILDING MATERIALS

Molecular dynamics study on calcium silicate hydrate subjected to tension loading and water attack: structural evolution, dynamics degradation and reactivity mechanism

(2018) Dongshuai Hou et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Insights into the interfacial strengthening mechanisms of calcium-silicate-hydrate/polymer nanocomposites

(2018) Yang Zhou et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Understanding the deformation mechanism and mechanical characteristics of cementitious mineral analogues from first principles and reactive force field molecular dynamics

(2018) Jinyang Jiang et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Structure, Dynamics, and Mechanical Properties of Cross-Linked Calcium Aluminosilicate Hydrate: A Molecular Dynamics Study

(2018) Jun Yang et al.   ACS Sustainable Chemistry & Engineering

Effect of nano-silica particles on the hydration, the rheology and the strength development of a blended cement paste

(2018) F. Lavergne et al.   CEMENT & CONCRETE COMPOSITES

Modification of poly(ethylene glycol) on the microstructure and mechanical properties of calcium silicate hydrates

(2018) Yang Zhou et al.   CEMENT AND CONCRETE RESEARCH

Reinforcement and workability aspects of graphene-oxide-reinforced cement nanocomposites

(2018) Matan Birenboim et al.   COMPOSITES PART B-ENGINEERING

Chemical effect of nano-alumina on early-age hydration of Portland cement

(2018) Jin Zhou et al.   CEMENT AND CONCRETE RESEARCH

A critical comparison of 3D experiments and simulations of tricalcium silicate hydration

(2017) Jeffrey W. Bullard et al.   JOURNAL OF THE AMERICAN CERAMIC SOCIETY

Towards sustainable concrete

(2017) Paulo J. M. Monteiro et al.   NATURE MATERIALS

The influence of cellulose nanocrystals on the microstructure of cement paste

(2016) Yizheng Cao et al.   CEMENT & CONCRETE COMPOSITES

Molecular dynamics simulation of the nonlinear behavior of the CNT-reinforced calcium silicate hydrate (C–S–H) composite

(2016) Mehdi Eftekhari et al.   COMPOSITES PART A-APPLIED SCIENCE AND MANUFACTURING

Hydration, microstructure and phase composition of composite cements containing nano-clay

(2016) Mohamed Heikal et al.   CONSTRUCTION AND BUILDING MATERIALS

Insight on Tricalcium Silicate Hydration and Dissolution Mechanism from Molecular Simulations

(2015) Hegoi Manzano et al.   ACS Applied Materials & Interfaces

Hydrogen-Bonding Network and OH Stretch Vibration of Cellulose: Comparison of Computational Modeling with Polarized IR and SFG Spectra

(2015) Christopher M. Lee et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Electronic Origin of Doping-Induced Enhancements of Reactivity: Case Study of Tricalcium Silicate

(2015) Jian Huang et al.   Journal of Physical Chemistry C

Predicting Electronic Structure in Tricalcium Silicate Phases with Impurities Using First-Principles

(2015) Kayahan Saritas et al.   Journal of Physical Chemistry C

Hydration Mechanism of Reactive and Passive Dicalcium Silicate Polymorphs from Molecular Simulations

(2015) Qianqian Wang et al.   Journal of Physical Chemistry C

Relation between reactivity and electronic structure for α′L-, β- and γ-dicalcium silicate: A first-principles study

(2014) Qianqian Wang et al.   CEMENT AND CONCRETE RESEARCH

Thermodynamically Consistent Force Fields for the Assembly of Inorganic, Organic, and Biological Nanostructures: The INTERFACE Force Field

(2013) Hendrik Heinz et al.   LANGMUIR

Hydration and properties of nano-TiO2 blended cement composites

(2012) Jun Chen et al.   CEMENT & CONCRETE COMPOSITES

Understanding and Controlling the Reactivity of the Calcium Silicate phases from First Principles

(2012) E. Durgun et al.   CHEMISTRY OF MATERIALS

Hydration of Calcium Oxide Surface Predicted by Reactive Force Field Molecular Dynamics

(2012) Hegoi Manzano et al.   LANGMUIR

Cellulose nanomaterials review: structure, properties and nanocomposites

(2011) Robert J. Moon et al.   CHEMICAL SOCIETY REVIEWS

Impact of Chemical Impurities on the Crystalline Cement Clinker Phases Determined by Atomistic Simulations

(2011) Hegoi Manzano et al.   CRYSTAL GROWTH & DESIGN

The nano-branched structure of cementitious calcium–silicate–hydrate gel

(2011) Jorge S. Dolado et al.   JOURNAL OF MATERIALS CHEMISTRY

Ab Initio Study of Structure and Interconversion of Native Cellulose Phases

(2011) Tomáš Bučko et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Ab Initio Studies of Cellulose I: Crystal Structure, Intermolecular Forces, and Interactions with Water

(2011) Yan Li et al.   Journal of Physical Chemistry C

Improved evidence for the existence of an intermediate phase during hydration of tricalcium silicate

(2010) Frank Bellmann et al.   CEMENT AND CONCRETE RESEARCH

Dissolution theory applied to the induction period in alite hydration

(2010) Patrick Juilland et al.   CEMENT AND CONCRETE RESEARCH

Mechanisms of cement hydration

(2010) Jeffrey W. Bullard et al.   CEMENT AND CONCRETE RESEARCH

Localization of Crystalline Allomorphs in Cellulose Microfibril

(2009) Yoshiki Horikawa et al.   BIOMACROMOLECULES

Structural, Mechanical, and Reactivity Properties of Tricalcium Aluminate Using First-Principles Calculations

(2009) Hegoi Manzano et al.   JOURNAL OF THE AMERICAN CERAMIC SOCIETY

A Determination of Hydration Mechanisms for Tricalcium Silicate Using a Kinetic Cellular Automaton Model

(2008) Jeffrey W. Bullard   JOURNAL OF THE AMERICAN CERAMIC SOCIETY