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1.
J Chem Phys ; 152(16): 164504, 2020 Apr 30.
Artigo em Inglês | MEDLINE | ID: mdl-32357785

RESUMO

Vapor deposition can yield glasses that are more stable than those obtained by the traditional melt-quenching route. However, it remains unclear whether vapor-deposited glasses are "allowable" or "forbidden," that is, if they are equivalent to glasses formed by cooling extremely slowly a liquid or if they differ in nature from melt-quenched glasses. Here, based on reactive molecular dynamics simulation of silica glasses, we demonstrate that the allowable or forbidden nature of vapor-deposited glasses depends on the temperature of the substrate and, in turn, is found to be encoded in their medium-range order structure.

2.
J Colloid Interface Sci ; 542: 339-346, 2019 Apr 15.
Artigo em Inglês | MEDLINE | ID: mdl-30769256

RESUMO

When subjected to a sustained load, jammed colloidal gels can feature some delayed viscoplastic creep deformations. However, due to the long timescale of creep (up to several years), its modeling and, thereby, prediction has remained challenging. Here, based on mesoscale simulations of calcium-silicate-hydrate gels (CSH, the binding phase of concrete), we present an accelerated simulation method-based on stress perturbations and overaging-to model creep deformations in CSH. Our simulations yield a very good agreement with nanoindentation creep tests, which suggests that concrete creep occurs through the reorganization of CSH grains at the mesoscale. We show that the creep of CSH exhibits a logarithmic dependence on time-in agreement with the free-volume theory of granular physics. Further, we demonstrate the existence of a linear regime, i.e., wherein creep linearly depends on the applied load-which establishes the creep modulus as a material constant. These results could offer a new physics-based basis for nanoengineering colloidal gels featuring minimal creep.

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