Zobrazeno 1 - 10
of 139
pro vyhledávání: '"Ispas, Simona"'
Using large-scale molecular dynamics simulations, we investigate the surface properties of lithium, sodium, and potassium silicate glasses containing 25 mole % of alkali oxide. The comparison of two types of surfaces, a melt-formed surface (MS) and a
Externí odkaz:
http://arxiv.org/abs/2304.10781
Publikováno v:
Phys. Rev. Mat. 6, 085601 (2022)
We use large-scale simulations to investigate the dynamic fracture of silica and sodium-silicate glasses under uniaxial tension. The stress-strain curves demonstrate that silica glass is brittle whereas the glasses rich in Na show pronounced ductilit
Externí odkaz:
http://arxiv.org/abs/2205.02461
Publikováno v:
Acta Materialia 231, 117855 (2022)
For small tension the response of a solid to an applied stress is given by Hooke's law. Outside this linear regime the relation between stress and strain is no longer universal and at present there is no satisfactory insight on how to connect for dis
Externí odkaz:
http://arxiv.org/abs/2111.09549
Autor:
Trillot, Salomé, Lam, Julien, Ispas, Simona, Kandy, Akshay Krishna Ammothum, Tuckerman, Mark E., Tarrat, Nathalie, Benoit, Magali
Publikováno v:
In Computational Materials Science March 2024 236
Structure and properties of magnesium silicate and borate melts and glasses were investigated by using newly parameterized interaction potentials in molecular dynamics simulations and compared with those of calcium silicate and borate. The competitio
Externí odkaz:
http://arxiv.org/abs/2102.08733
Publikováno v:
Phys. Rev. B 103, 184201 (2021)
We use \textit{ab initio} molecular dynamics simulations to investigate the properties of the dry surface of pure silica and sodium silicate glasses. The surface layers are defined based on the atomic distributions along the direction ($z-$direction)
Externí odkaz:
http://arxiv.org/abs/2101.09061
Publikováno v:
Phys. Rev. Lett. 126, 066101 (2021)
Using atomistic computer simulations we determine the roughness and topographical features of melt-formed (MS) and fracture surfaces (FS) of oxide glasses. We find that the topography of the MS is described well by the frozen capillary wave theory. T
Externí odkaz:
http://arxiv.org/abs/2007.07474
Using molecular dynamics simulations we investigate the dependence of the structural and vibrational properties of the surfaces of sodo-silicate glasses on the sodium content as well as the nature of the surface. Two types of glass surfaces are consi
Externí odkaz:
http://arxiv.org/abs/2006.14791
Publikováno v:
Journal of Chemical Physics (Vol.152, Issue 10) 2020
We adapt and apply a recently developed optimization scheme used to obtain effective potentials for aluminosilicate glasses to include the network former boron into the interaction parameter set. As input data for the optimization, we used the radial
Externí odkaz:
http://arxiv.org/abs/1912.08943
Publikováno v:
Journal of Non-Crystalline Solids, 532, 119895 (2020)
We compare the ability of various interaction potentials to predict the structural and mechanical properties of silica and sodium silicate glasses. While most structural quantities show a relatively mild dependence on the potential used, the mechanic
Externí odkaz:
http://arxiv.org/abs/1910.06181