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Cooperative and Reversible Anisotropic Assembly of Gold Nanoparticles by Modulation of Noncovalent Interparticle Interactions
Nanoporous chalcogenides for adsorption and gas separation
The role of 2D/3D spin-polarization interactions in hybrid copper hydroxide acetate: new insights from first-principles molecular dynamics
Thermal resistance of an interfacial molecular layer by first-principles molecular dynamics
Heat transport in disordered network forming materials: Size effects and existence of propagative modes
Thermal conductivity and transport modes in glassy GeTe 4 by first-principles molecular dynamics
Impact of dispersion forces on the atomic structure of a prototypical network-forming disordered system: The case of liquid GeSe2
Atomic-scale structure of the glassy Ge2Sb2Te5 phase change material: A quantitative assessment via first-principles molecular dynamics
Making Computer Materials Real: The Predictive Power of First-Principles Molecular Dynamics
Chalcogenide glasses as a playground for the application of first-principles molecular dynamics to disordered materials
First-principles molecular dynamics study of glassy GeS2: Atomic structure and bonding properties
Atomic Structure of Glassy GeTe4 as a Playground to Assess the Performances of Density Functional Schemes Accounting for Dispersion Forces
First-principles study of the atomic structure of glassy Ga10Ge15Te75
Chalcogenide glasses for innovation in applied science: fundamental issues and new insights
First-principles thermal transport in amorphous Ge 2 Sb 2 Te 5 at the nanoscale
Origin of structural analogies and differences between the atomic structures of GeSe4 and GeS4 glasses: A first principles study
Thermal conductivity of glassy GeTe4 by first-principles molecular dynamics
The role of dispersion forces on the atomic structure of glassy chalcogenides: The case of GeSe4 and GeS4
On the occurrence of size effects in the calculation of thermal conductivity by first-principles molecular dynamics: The case of glassy GeTe4
Sensitivity to Dispersion Forces in First-Principles Modeling of Disordered Chalcogenides

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