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

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

New insights into the mechanism governing the elasticity of calcium silicate hydrate gels exposed to high temperature: A molecular dynamics study

(2020) Yao Zhang et al.   CEMENT AND CONCRETE RESEARCH

Influences of rehydration conditions on the mechanical and atomic structural recovery characteristics of Portland cement paste exposed to elevated temperatures

(2019) Heongwon Suh et al.   CONSTRUCTION AND BUILDING MATERIALS

Ionic hydration structure, dynamics and adsorption mechanism of sulfate and sodium ions in the surface of calcium silicate hydrate gel: A molecular dynamics study

(2018) Jun Yang et al.   APPLIED SURFACE SCIENCE

Dehydration and dehydroxylation of C-S-H phases synthesized on silicon wafers

(2018) Nicolas Giraudo et al.   APPLIED SURFACE SCIENCE

Effect of elevated temperatures on compressive strength and microstructure of cement paste containing palm oil clinker powder

(2018) Mohammad Razaul Karim et al.   CONSTRUCTION AND BUILDING MATERIALS

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

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

Molecular Simulation of the Ions Ultraconfined in the Nanometer-Channel of Calcium Silicate Hydrate: Hydration Mechanism, Dynamic Properties, and Influence on the Cohesive Strength

(2017) Dongshuai Hou et al.   INORGANIC CHEMISTRY

The Atomic-Level Structure of Cementitious Calcium Silicate Hydrate

(2017) Abhishek Kumar et al.   Journal of Physical Chemistry C

Effects of temperature on the atomic structure of synthetic calcium–silicate–deuterate gels: A neutron pair distribution function investigation

(2016) Claire E. White   CEMENT AND CONCRETE RESEARCH

Distribution of Water in Synthetic Calcium Silicate Hydrates

(2016) C. Roosz et al.   LANGMUIR

Confined Water Dissociation in Disordered Silicate Nanometer-Channels at Elevated Temperatures: Mechanism, Dynamics and Impact on Substrates

(2016) Dongshuai Hou et al.   LANGMUIR

Atomistic modeling of crystal structure of Ca 1.67 SiH x

(2015) Goran Kovačević et al.   CEMENT AND CONCRETE RESEARCH

A review of alternative approaches to the reduction of CO 2 emissions associated with the manufacture of the binder phase in concrete

(2015) Ellis Gartner et al.   CEMENT AND CONCRETE RESEARCH

Reactive Molecular Simulation on Water Confined in the Nanopores of the Calcium Silicate Hydrate Gel: Structure, Reactivity, and Mechanical Properties

(2015) Dongshuai Hou et al.   Journal of Physical Chemistry C

Effect of high temperature on the properties of ternary blended cement pastes and mortars

(2015) S. Maheswaran et al.   JOURNAL OF THERMAL ANALYSIS AND CALORIMETRY

Calcium silicate hydrate from dry to saturated state: Structure, dynamics and mechanical properties

(2014) Dongshuai Hou et al.   ACTA MATERIALIA

Molecular dynamics study of water and ions transport in nano-pore of layered structure: A case study of tobermorite

(2014) Dongshuai Hou et al.   MICROPOROUS AND MESOPOROUS MATERIALS

Activation of liberated concrete fines and their application in mortars

(2013) M.V.A. Florea et al.   CONSTRUCTION AND BUILDING MATERIALS

Effects of elevated temperature on the structure and properties of calcium–silicate–hydrate gels: the role of confined water

(2013) Patrick A. Bonnaud et al.   Soft Matter

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

(2012) Hegoi Manzano et al.   LANGMUIR

Supplementary cementitious materials

(2011) Barbara Lothenbach et al.   CEMENT AND CONCRETE RESEARCH

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

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

Hydroxylation Structure and Proton Transfer Reactivity at the Zinc Oxide−Water Interface

(2011) David Raymand et al.   Journal of Physical Chemistry C

Glassy Nature of Water in an Ultraconfining Disordered Material: The Case of Calcium−Silicate−Hydrate

(2011) Mostafa Youssef et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Confined Water Dissociation in Microporous Defective Silicates: Mechanism, Dipole Distribution, and Impact on Substrate Properties

(2011) Hegoi Manzano et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Parallel reactive molecular dynamics: Numerical methods and algorithmic techniques

(2011) H.M. Aktulga et al.   PARALLEL COMPUTING

Dehydroxylation of kaolinite to metakaolin—a molecular dynamics study

(2010) Shani Sperinck et al.   JOURNAL OF MATERIALS CHEMISTRY

Empirical force fields for complex hydrated calcio-silicate layered materials

(2010) Rouzbeh Shahsavari et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Reactive forcefield for simulating gold surfaces and nanoparticles

(2010) John A. Keith et al.   PHYSICAL REVIEW B

Molecular Dynamics to Understand the Mechanical Behavior of Cement Paste

(2010) Shanique Julie Murray et al.   TRANSPORTATION RESEARCH RECORD

A realistic molecular model of cement hydrates

(2009) R. J.-M. Pellenq et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Refinements to colloid model of C-S-H in cement: CM-II

(2008) Hamlin M. Jennings   CEMENT AND CONCRETE RESEARCH

Engineering the bonding scheme in C–S–H: The iono-covalent framework

(2007) R.J.-M. Pellenq et al.   CEMENT AND CONCRETE RESEARCH

Rehydration reactivity of recycled mortar from concrete waste experienced to thermal treatment

(2007) Zhonghe Shui et al.   CONSTRUCTION AND BUILDING MATERIALS

Cementitious characteristics of hydrated cement paste subjected to various dehydration temperatures

(2007) Zhonghe Shui et al.   CONSTRUCTION AND BUILDING MATERIALS