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New insights into the mechanism governing the elasticity of calcium silicate hydrate gels exposed to high temperature: a molecular dynamics study
When exposed to fire, the integrity of cement-based materials is governed by thermally-
induced changes in the mechanical properties of their binding phase, ie, the calcium …
induced changes in the mechanical properties of their binding phase, ie, the calcium …
Glass transition, topology, and elastic models of Se‐based glasses
Features intrinsic to disorder and network aspects are ubiquitous in structural glasses.
Among this important class of materials, chalcogenide glasses are special—they are built of …
Among this important class of materials, chalcogenide glasses are special—they are built of …
Predicting fracture propensity in amorphous alumina from its static structure using machine learning
Thin films of amorphous alumina (a-Al2O3) have recently been found to deform permanently
up to 100% elongation without fracture at room temperature. If the underlying ductile …
up to 100% elongation without fracture at room temperature. If the underlying ductile …
Precipitation of calcium–alumino–silicate–hydrate gels: The role of the internal stress
Concrete gains its strength from the precipitation of a calcium–alumino–silicate–hydrate (C–
A–S–H) colloidal gel, which acts as its binding phase. However, despite concrete's ubiquity …
A–S–H) colloidal gel, which acts as its binding phase. However, despite concrete's ubiquity …
Analytical model of the network topology and rigidity of calcium aluminosilicate glasses
Topological constraint theory (TCT) has enabled the prediction of various properties of oxide
glasses as a function of their composition and structure. However, the robust application of …
glasses as a function of their composition and structure. However, the robust application of …
Effects of high temperature on the mechanical behavior of calcium silicate hydrate under uniaxial tension and compression
When subjected to high temperatures, cement-based materials can dehydrate, which, in
turn, affects the mechanical property of the main binding phase (calcium silicate hydrate) at …
turn, affects the mechanical property of the main binding phase (calcium silicate hydrate) at …
Search for a possible flexible-to-rigid transition in models of phase change materials
Structural models of the prototypal phase change material Ge-Sb-Te are generated from first-
principles molecular dynamics simulations with a particular attention to the Ge x Sb x Te …
principles molecular dynamics simulations with a particular attention to the Ge x Sb x Te …
Topological origin of phase separation in hydrated gels
Hypothesis Depending on their composition, hydrated gels can be homogeneous or phase-
separated, which, in turn, affects their dynamical and mechanical properties. However, the …
separated, which, in turn, affects their dynamical and mechanical properties. However, the …
Melt dynamics, nature of glass transition and topological phases of equimolar GexAsxS100− 2x ternary glasses
Abstract The Topological Phases (TPs) in specially homogenized equimolar Ge x As x S
100− 2x ternary glasses are established here by performing detailed Raman scattering …
100− 2x ternary glasses are established here by performing detailed Raman scattering …
Influence of emulsifier on surface mass transfer based on molecular dynamics simulations
L Kong, W Luo, B Feng, X Quan - Frontiers in Materials, 2020 - frontiersin.org
To explore the effect of emulsifier structure on mass transfer performance, and provide
theoretical basis and ideas for the structure design of new asphalt emulsifier. The mass …
theoretical basis and ideas for the structure design of new asphalt emulsifier. The mass …