205 citations · 394 across the 7 of their papers we have counts for
7 papers
Cooling Rate Effects on the Structure of 45S5 Bioglass: Computational and Experimental Evidence of Si--P Avoidance
Pratik Bhaskar, Yashasvi Maurya, Rajesh Kumar +10
Due to its ability to bond with living tissues upon dissolution, 45S5 bioglass and related compositions are promising materials for the replacement, regeneration, and repair of har…
Machine Learning Forcefield for Silicate Glasses
Han Liu, Zipeng Fu, Yipeng Li +2
Developing accurate, transferable, and computationally-efficient interatomic forcefields is key to facilitate the modeling of silicate glasses. However, the high number of forcefie…
Topological Origin of Fracture Toughening in Complex Solids: the Viewpoint of Rigidity Theory
M. Bauchy, M. J. Abdolhosseini Qomi, C. Bichara +2
In order to design tougher materials, it is crucial to understand the relationship between their composition and their resistance to fracture. To this end, we investigate the fract…
Fracture toughness of calcium-silicate-hydrate grains from molecular dynamics simulations
M. Bauchy, H. Laubie, M. J. Abdolhosseini Qomi +3
Cement is the most widely used manufacturing material in the world and improving its toughness would allow for the design of slender infrastructure, requiring less material. To thi…
Structure and dynamics of liquid AsSe4 from ab initio molecular dynamics simulation
Mathieu Bauchy
Structural and dynamical properties of AsSe4 liquids have been studied by ab initio molecular dynamics simulations as a function of temperature. Calculated neutron structure factor…
Structural, vibrational, and elastic properties of a calcium aluminosilicate glass from molecular dynamics simulations: the role of the potential
M. Bauchy
We study a calcium aluminosilicate glass of composition (SiO2)0.60(Al2O3)0.10(CaO)0.30 by means of molecular dynamics. To this end, we conduct parallel simulations, following a con…