Beyond the average: spatial and temporal fluctuations in oxide glass-forming systems
Atomic structure dictates the performance of all materials systems; the characteristic of
disordered materials is the significance of spatial and temporal fluctuations on composition …
disordered materials is the significance of spatial and temporal fluctuations on composition …
Deciphering the atomic genome of glasses by topological constraint theory and molecular dynamics: a review
M Bauchy - Computational Materials Science, 2019 - Elsevier
From telescope lenses to optical fibers and smartphone screens, glasses have been key
enablers in human history. Unlike crystalline materials, glasses can virtually feature any …
enablers in human history. Unlike crystalline materials, glasses can virtually feature any …
[HTML][HTML] Fracture toughness of a metal–organic framework glass
T To, SS Sørensen, M Stepniewska, A Qiao… - Nature …, 2020 - nature.com
Metal-organic framework glasses feature unique thermal, structural, and chemical properties
compared to traditional metallic, organic, and oxide glasses. So far, there is a lack of …
compared to traditional metallic, organic, and oxide glasses. So far, there is a lack of …
Fracture toughness of calcium–silicate–hydrate from molecular dynamics simulations
Concrete is the most widely manufactured material in the world. Its binding phase, calcium–
silicate–hydrate (C–S–H), is responsible for its mechanical properties and has an atomic …
silicate–hydrate (C–S–H), is responsible for its mechanical properties and has an atomic …
A new transferable interatomic potential for molecular dynamics simulations of borosilicate glasses
Borosilicate glasses are traditionally challenging to model using atomic scale simulations
due to the composition and thermal history dependence of the coordination state of B atoms …
due to the composition and thermal history dependence of the coordination state of B atoms …
[HTML][HTML] Cooling rate effects in sodium silicate glasses: Bridging the gap between molecular dynamics simulations and experiments
Although molecular dynamics (MD) simulations are commonly used to predict the structure
and properties of glasses, they are intrinsically limited to short time scales, necessitating the …
and properties of glasses, they are intrinsically limited to short time scales, necessitating the …
The fracture toughness of inorganic glasses
T Rouxel, S Yoshida - Journal of the American Ceramic Society, 2017 - Wiley Online Library
Measuring the fracture toughness (KIc) of glasses still remains a difficult task, raising
experimental and theoretical problems as well. The available methods to estimate KIc are …
experimental and theoretical problems as well. The available methods to estimate KIc are …
[HTML][HTML] Evaluating the adhesion response of acrylonitrile-butadiene-styrene (ABS)/thermoplastic polyurethane (TPU) fused interface using multiscale simulation and …
This paper implements reactive forcefield molecular dynamics (MD) simulation to evaluate
the mechanical performance of the fusion bond line formed between acrylonitrile butadiene …
the mechanical performance of the fusion bond line formed between acrylonitrile butadiene …
Bond switching in densified oxide glass enables record-high fracture toughness
Humans primarily interact with information technology through glass touch screens, and the
world would indeed be unrecognizable without glass. However, the low toughness of oxide …
world would indeed be unrecognizable without glass. However, the low toughness of oxide …
Probing the soft and nanoductile mechanical nature of single and polycrystalline organic–inorganic hybrid perovskites for flexible functional devices
J Yu, M Wang, S Lin - ACS nano, 2016 - ACS Publications
Although organic–inorganic hybrid perovskites have been extensively investigated for
promising applications in energy-related devices, their mechanical properties, which restrict …
promising applications in energy-related devices, their mechanical properties, which restrict …