Structure, topology, rings, and vibrational and electronic properties of GeSe glasses across the rigidity transition: A numerical study
The structural, electronic, and vibrational properties of glassy Ge x Se 1− x are studied using
density-functional-based molecular dynamics. The focus is on four compositions (x= 10 …
density-functional-based molecular dynamics. The focus is on four compositions (x= 10 …
Towards accurate models for amorphous GeTe: Crucial effect of dispersive van der Waals corrections on the structural properties involved in the phase-change …
M Micoulaut, A Piarristeguy, H Flores-Ruiz, A Pradel - Physical Review B, 2017 - APS
The effect of van der Waals dispersion correction in combination with density functional
theory is investigated on a canonical amorphous phase-change material. Density functional …
theory is investigated on a canonical amorphous phase-change material. Density functional …
Partial structure investigation of the traditional bulk metallic glass
S Hosokawa, JF Bérar, N Boudet, WC Pilgrim… - Physical Review B, 2019 - APS
Local structures of Pd 40 Ni 40 P 20 bulk metallic glass were investigated by combining
anomalous x-ray scattering close to the Pd and Ni K absorption edges, x-ray diffraction …
anomalous x-ray scattering close to the Pd and Ni K absorption edges, x-ray diffraction …
Anomalous X-ray scattering studies on semiconducting and metallic glasses
S Hosokawa, WC Pilgrim, JF Bérar… - The European Physical …, 2012 - Springer
In order to explore local-and intermediate-range atomic structures of several semiconducting
and metallic glasses, anomalous X-ray scattering (AXS) experiments were performed using …
and metallic glasses, anomalous X-ray scattering (AXS) experiments were performed using …
Anomalies of the first sharp diffraction peak in network glasses: Evidence for correlations with dynamic and rigidity properties
M Micoulaut, M Bauchy - physica status solidi (b), 2013 - Wiley Online Library
The structural and dynamical properties of densified sodium silicates are investigated using
molecular dynamics (MD) simulations. From the analysis of the first sharp diffraction peak …
molecular dynamics (MD) simulations. From the analysis of the first sharp diffraction peak …
Ab initio simulation of amorphous GeSe3 and GeSe4
The structural, vibrational, and electronic properties of glassy GeSe 4 were studied, in
conjunction with GeSe 3, using an approach combining Reverse Monte Carlo with density …
conjunction with GeSe 3, using an approach combining Reverse Monte Carlo with density …
Topological ordering and viscosity in the glass-forming Ge–Se system: the search for a structural or dynamical signature of the intermediate phase
The topological ordering of the network structure in vitreous Ge x Se1− x was investigated
across most of the glass-forming region (0≤ x≤ 0.4) by using high-resolution neutron …
across most of the glass-forming region (0≤ x≤ 0.4) by using high-resolution neutron …
Synchrotron x-ray scattering measurements of disordered materials
With the advent of third-generation synchrotron sources and the development of light source
techniques, X-ray scattering techniques have become feasible, leading to new approaches …
techniques, X-ray scattering techniques have become feasible, leading to new approaches …
Relationship between atomic structure and excellent glass forming ability in Pd42. 5Ni7. 5Cu30P20 metallic glass
S Hosokawa, JF Bérar, N Boudet, WC Pilgrim… - Journal of Non …, 2022 - Elsevier
To understand the relation of the glass-forming ability (GFA) to the local atomic
configurations of a Pd 42.5 Ni 7.5 Cu 30 P 20 (PNCP) metallic glass having the best GFA at …
configurations of a Pd 42.5 Ni 7.5 Cu 30 P 20 (PNCP) metallic glass having the best GFA at …
Pressure-induced structural changes in the network-forming isostatic glass : An investigation by neutron diffraction and first-principles molecular dynamics
The changes to the topological and chemical ordering in the network-forming isostatic glass
GeSe 4 are investigated at pressures up to∼ 14.4 GPa by using a combination of neutron …
GeSe 4 are investigated at pressures up to∼ 14.4 GPa by using a combination of neutron …