Recent progress of amorphous nanomaterials

J Kang, X Yang, Q Hu, Z Cai, LM Liu, L Guo - Chemical Reviews, 2023 - ACS Publications
Amorphous materials are metastable solids with only short-range order at the atomic scale,
which results from local intermolecular chemical bonding. The lack of long-range order …

Biopolymer nanofibrils: Structure, modeling, preparation, and applications

S Ling, W Chen, Y Fan, K Zheng, K Jin, H Yu… - Progress in polymer …, 2018 - Elsevier
Biopolymer nanofibrils exhibit exceptional mechanical properties with a unique combination
of strength and toughness, while also presenting biological functions that interact with the …

LAMMPS-a flexible simulation tool for particle-based materials modeling at the atomic, meso, and continuum scales

AP Thompson, HM Aktulga, R Berger… - Computer Physics …, 2022 - Elsevier
Since the classical molecular dynamics simulator LAMMPS was released as an open source
code in 2004, it has become a widely-used tool for particle-based modeling of materials at …

Hypocrystalline ceramic aerogels for thermal insulation at extreme conditions

J Guo, S Fu, Y Deng, X Xu, S Laima, D Liu, P Zhang… - Nature, 2022 - nature.com
Thermal insulation under extreme conditions requires materials that can withstand complex
thermomechanical stress and retain excellent thermal insulation properties at temperatures …

The ReaxFF reactive force-field: development, applications and future directions

TP Senftle, S Hong, MM Islam, SB Kylasa… - npj Computational …, 2016 - nature.com
The reactive force-field (ReaxFF) interatomic potential is a powerful computational tool for
exploring, developing and optimizing material properties. Methods based on the principles …

[HTML][HTML] A comprehensive review of CSH empirical and computational models, their applications, and practical aspects

E Duque-Redondo, PA Bonnaud, H Manzano - Cement and Concrete …, 2022 - Elsevier
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 …

Glass-ceramics in dentistry: Fundamentals, technologies, experimental techniques, applications, and open issues

M Montazerian, F Baino, E Fiume, C Migneco… - Progress in Materials …, 2023 - Elsevier
Dental glass-ceramics (DGCs) are developed by controlled crystallization of oxide glasses
and form an important group of biomaterials used in modern dentistry. They are also of great …

Aqueous alteration of silicate glass: state of knowledge and perspectives

S Gin, JM Delaye, F Angeli, S Schuller - npj Materials Degradation, 2021 - nature.com
The question of silicate glass chemical durability is at the heart of many industrial and
environmental issues, with certain glasses, such as bioglasses, needing to transform rapidly …

Reactive molecular dynamics and experimental study of graphene-cement composites: Structure, dynamics and reinforcement mechanisms

D Hou, Z Lu, X Li, H Ma, Z Li - Carbon, 2017 - Elsevier
The remarkable properties of graphene and graphene oxide (GO) make it as an ideal
candidate for high performance cement-based composites. This paper firstly investigated the …

Silica surface features and their role in the adsorption of biomolecules: computational modeling and experiments

A Rimola, D Costa, M Sodupe, JF Lambert… - Chemical …, 2013 - ACS Publications
There are many reasons to report on silica interacting with biomolecules. The most obvious
one is that on the Earth's crust, oxygen and silicon are the most abundant atomic species …