Search Results for author: Simona Ispas

Found 2 papers, 1 papers with code

New interaction potentials for alkaline earth silicate and borate glasses

no code implementations17 Feb 2021 Yueh-Ting Shih, Siddharth Sundararaman, Simona Ispas, Liping Huang

Compared with calcium silicate, the higher elastic moduli of magnesium silicate result from a higher connectivity of the overall glass network due to the incorporation of fourfold coordinated magnesium and a more rigid connection between SiO4 tetrahedra and modifier ions.

Materials Science Disordered Systems and Neural Networks

Amorphous silica modeled with truncated and screened Coulomb interactions: A molecular dynamics simulation study

1 code implementation2 Jul 2007 Antoine Carré, Ludovic Berthier, Juergen Horbach, Simona Ispas, Walter Kob

However, slightly larger cutoffs have to be used in order to obtain the same accuracy with respect to static and dynamic quantities as for the Wolf method.

Statistical Mechanics

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