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69 - A. Ernst , A. Just , P. Berczik 2011
Context: Using the recent observational data of Roser et al. we present $N$-body simulations of the Hyades open cluster. Aims: We make an attempt to determine initial conditions of the Hyades cluster at the time of its formation in order to reproduce the present-day cumulative mass profile, stellar mass and luminosity function (LF). Methods: We performed direct $N$-body simulations of the Hyades in an analytic Milky Way potential that account for stellar evolution and include primordial binaries in a few models. Furthermore, we applied a Kroupa (2001) IMF and used extensive ensemble-averaging. Results: We find that evolved single-star King initial models with King parameters $W_0 = 6-9$ and initial particle numbers $N_0 = 3000$ provide good fits to the observational present-day cumulative mass profile within the Jacobi radius. The best-fit King model has an initial mass of $1721 M_odot$ and an average mass loss rate of $-2.2 M_odot/mathrm{Myr}$. The K-band LFs of models and observations show a reasonable agreement. Mass segregation is detected in both observations and models. If 33% primordial binaries are included the initial particle number is reduced by 5% as compared to the model without primordial binaries. Conclusions: The present-day properties of the Hyades can be well reproduced by a standard King or Plummer initial model when choosing appropriate initial conditions. The degeneracy of good-fitting models can be quite high due to the large dimension of the parameter space. More simulations with different Roche-lobe filling factors and primordial binary fractions are required to explore this degeneracy in more detail.
By detailed first-principles calculations we show that the Fermi energy and the Rashba splitting in disordered ternary surface alloys (BiPbSb)/Ag(111) can be independently tuned by choosing the concentrations of Bi and Pb. The findings are explained by three fundamental mechanisms, namely the relaxation of the adatoms, the strength of the atomic spin-orbit coupling, and band filling. By mapping the Rashba characteristics,i.e.the splitting and the Rashba energy, and the Fermi energy of the surface states in the complete range of concentrations. Our results suggest to investigate experimentally effects which rely on the Rashba spin-orbit coupling in dependence on spin-orbit splitting and band filling.
The structural phase transitions and the fundamental band gaps of Mg(x)Zn(1-x)O alloys are investigated by detailed first-principles calculations in the entire range of Mg concentrations x, applying a multiple-scattering theoretical approach (Korring a-Kohn-Rostoker method). Disordered alloys are treated within the coherent potential approximation (CPA). The calculations for various crystal phases have given rise to a phase diagram in good agreement with experiments and other theoretical approaches. The phase transition from the wurtzite to the rock-salt structure is predicted at the Mg concentration of x = 0.33, which is close to the experimental value of 0.33 - 0.40. The size of the fundamental band gap, typically underestimated by the local density approximation, is considerably improved by the self-interaction correction. The increase of the gap upon alloying ZnO with Mg corroborates experimental trends. Our findings are relevant for applications in optical, electrical, and in particular in magnetoelectric devices.
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