22 research outputs found
Microstructural and electrochemical comparison of as deposited and heat treated Li-Ni-Mn-Co-O thin film cathodes for Lithium-ion batteries
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Dynamical properties of liquid Al near melting. An orbital-free molecular dynamics study
Get PDFThe static and dynamic structure of liquid Al is studied using the orbital
free ab-initio molecular dynamics method. Two thermodynamic states along the
coexistence line are considered, namely T = 943 K and 1323 K for which X-ray
and neutron scattering data are available. A new kinetic energy functional,
which fulfills a number of physically relevant conditions is employed, along
with a local first principles pseudopotential. In addition to a comparison with
experiment, we also compare our ab-initio results with those obtained from
conventional molecular dynamics simulations using effective interionic pair
potentials derived from second order pseudopotential perturbation theory.Comment: 15 pages, 12 figures, 2 tables, submitted to PR
Über den Einfluss einer elastischen Spannung sowie des Legierungsgehaltes auf die Ausschei-dungsgeschwindigkeit von Kohlenstoff bzw. Stickstoff im α-Eisen
No full textInfluence of the substrate topography on the constitution of Li-rich Li-Ni-Mn-Co-O thin film for battery application
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Evidence for different fission fragment mass asymmetries for specific nuclear excitations studied in (e.e'f) and (γ,f) reactions
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