Advances in understanding hydration of Portland cement
Progress in understanding hydration is summarized. Evidence supports the geochemistry
dissolution theory as an explanation for the induction period, in preference to the inhibiting …
dissolution theory as an explanation for the induction period, in preference to the inhibiting …
[HTML][HTML] A comprehensive review of CSH empirical and computational models, their applications, and practical aspects
The CSH gel is an elusive material. Its variable composition and disordered nature
complicate a complete characterization of its atomic structure, and the elaboration of models …
complicate a complete characterization of its atomic structure, and the elaboration of models …
Advances in clayff molecular simulation of layered and nanoporous materials and their aqueous interfaces
As a general-purpose force field for molecular simulations of layered materials and their fluid
interfaces, Clayff continues to see broad usage in atomistic computational modeling for …
interfaces, Clayff continues to see broad usage in atomistic computational modeling for …
Charting the complete elastic properties of inorganic crystalline compounds
The elastic constant tensor of an inorganic compound provides a complete description of the
response of the material to external stresses in the elastic limit. It thus provides fundamental …
response of the material to external stresses in the elastic limit. It thus provides fundamental …
[HTML][HTML] Molecular dynamics modeling of the structure, dynamics, energetics and mechanical properties of cement-polymer nanocomposite
D Hou, J Yu, P Wang - Composites Part B: Engineering, 2019 - Elsevier
Efforts to tune the performance of organic/inorganic composites are hindered owing to a lack
of knowledge related to the interfacial interaction mechanisms. Here we investigated the …
of knowledge related to the interfacial interaction mechanisms. Here we investigated the …
Combinatorial molecular optimization of cement hydrates
Despite its ubiquitous presence in the built environment, concrete's molecular-level
properties are only recently being explored using experimental and simulation studies …
properties are only recently being explored using experimental and simulation studies …
Advances in atomistic modeling and understanding of drying shrinkage in cementitious materials
Despite more than a century of research, drying shrinkage still causes unwanted stresses
and cracks in our concrete infrastructures. This is partly due to the lack of understanding of …
and cracks in our concrete infrastructures. This is partly due to the lack of understanding of …
Cements in the 21st century: Challenges, perspectives, and opportunities
Since its widespread use in concrete began over 100 years ago, the chemical composition
and physical properties of portland cement have changed only incrementally in response to …
and physical properties of portland cement have changed only incrementally in response to …
Investigation of the effects of graphene and graphene oxide nanoplatelets on the micro-and macro-properties of cementitious materials
T Tong, Z Fan, Q Liu, S Wang, S Tan, Q Yu - Construction and Building …, 2016 - Elsevier
Recent research results discover that graphene nanoplatelets (GNPs) and graphene oxide
nanoplatelets (GONPs) are capable of enhancing the smartness as well as improving the …
nanoplatelets (GONPs) are capable of enhancing the smartness as well as improving the …
Stress relaxation properties of calcium silicate hydrate: A molecular dynamics study
The time-dependent viscoelastic response of cement-based materials to applied
deformation is far from fully understood at the atomic level. Calcium silicate hydrate (CSH) …
deformation is far from fully understood at the atomic level. Calcium silicate hydrate (CSH) …