Solid-liquid phase coexistence and structural transitions in palladium clusters

We use molecular dynamics with an embedded atom potential to study the behavior of palladium nanoclusters near the melting point in the microcanonical ensemble. We see transitions from both fcc and decahedral ground state structures to icosahedral structures prior to melting over a range of cluster sizes. In all cases this transition occurs during solid-liquid phase coexistence and the mechanism for the transition appears to be fluctuations in the molten fraction of the cluster and subsequent recrystallization into the icosahedral structure.Comment: 8 pages, 6 figure

Formation of an Icosahedral Structure during the Freezing of Gold Nanoclusters: Surface-Induced Mechanism

The freezing behavior of gold nanoclusters was studied by employing molecular dynamics simulations based on a semi-empirical embedded-atom method. Investigations of the gold nanoclusters revealed that, just after freezing, ordered nano-surfaces with a fivefold symmetry were formed with interior atoms remaining in the disordered state. Further lowering of temperatures induced nano-crystallization of the interior atoms that proceeded from the surface towards the core region, finally leading to an icosahedral structure. These dynamic processes explain why the icosahedral cluster structure is dominantly formed in spite of its energetic metastability.Comment: 9 pages, 4 figures(including 14 eps-files

Savings Accounts and the Life-Cycle Approach to Social Insurance

Using Danish data, we find that about three fourths of the taxes levied to finance public transfers actually finance benefits that do not redistribute between people but redistribute income over the life cycle of individual taxpayers. This provides a rationale for financing part of social insurance via mandatory individual savings accounts. An account system that offers liquidity insurance and a lifetime income guarantee helps to alleviate the dilemma between insurance and incentives. To illustrate this, we analyse a specific proposal for reform of the Danish system of social insurance, involving the use of individual accounts. We estimate how the reform would affect the distribution of lifetime incomes, the public budget, and economic efficiency. Our analysis suggests that, even with conservative assumptions regarding labor supply elasticities, the proposed reform would generate a Pareto improvement and would imply only a minor increase in the inequality of lifetime income distribution.social insurance; individual accounts; lifetime income distribution

Theoretical study of the thermal behavior of free and alumina-supported Fe-C nanoparticles

The thermal behavior of free and alumina-supported iron-carbon nanoparticles is investigated via molecular dynamics simulations, in which the effect of the substrate is treated with a simple Morse potential fitted to ab initio data. We observe that the presence of the substrate raises the melting temperature of medium and large $Fe_{1-x}C_x$ nanoparticles ($x$ = 0-0.16, $N$ = 80-1000, non- magic numbers) by 40-60 K; it also plays an important role in defining the ground state of smaller Fe nanoparticles ($N$ = 50-80). The main focus of our study is the investigation of Fe-C phase diagrams as a function of the nanoparticle size. We find that as the cluster size decreases in the 1.1-1.6-nm-diameter range the eutectic point shifts significantly not only toward lower temperatures, as expected from the Gibbs-Thomson law, but also toward lower concentrations of C. The strong dependence of the maximum C solubility on the Fe-C cluster size may have important implications for the catalytic growth of carbon nanotubes by chemical vapor deposition.Comment: 13 pages, 11 figures, higher quality figures can be seen in article 9 at http://alpha.mems.duke.edu/wahyu

Charge ordering and chemical potential shift in La2−x_{2-x}Srx_xNiO4_4 studied by photoemission spectroscopy

We have studied the chemical potential shift in La$_{2-x}$Sr$_x$NiO$_4$ and the charge ordering transition in La$_{1.67}$Sr$_{0.33}$NiO$_4$ by photoemission spectroscopy. The result shows a large ($\sim$ 1 eV/hole) downward shift of the chemical potential with hole doping in the high-doping regime ($\delta \gtrsim$ 0.33) while the shift is suppressed in the low-doping regime ($\delta \lesssim$ 0.33). This suppression is attributed to a segregation of doped holes on a microscopic scale when the hole concentration is lower than $\delta \simeq 1/3$. In the $\delta = 1/3$ sample, the photoemission intensity at the chemical potential vanishes below the charge ordering transition temperature $T_{\rm CO}=$ 240 K.Comment: 5 pages, 4 figure

Chemical Potential Shift in Nd2−x_{2-x}Cex_{x}CuO4_{4}: Contrasting Behaviors of the Electron- and Hole-Doped Cuprates

We have studied the chemical potential shift in the electron-doped superconductor Nd$_{2-x}$Ce$_{x}$CuO$_{4}$ by precise measurements of core-level photoemission spectra. The result shows that the chemical potential monotonously increases with electron doping, quite differently from La$_{2-x}$Sr$_{x}$CuO$_{4}$, where the shift is suppressed in the underdoped region. If the suppression of the shift in La$_{2-x}$Sr$_{x}$CuO$_{4}$ is attributed to strong stripe fluctuations, the monotonous increase of the chemical potential is consistent with the absence of stripe fluctuations in Nd$_{2-x}$Ce$_{x}$CuO$_{4}$. The chemical potential jump between Nd$_{2}$CuO$_{4}$ and La$_{2}$CuO$_{4}$ is found to be much smaller than the optical band gaps.Comment: 4 pages, 5 figure

One-dimensional metallic behavior of the stripe phase in La2−x_{2-x}Srx_xCuO4_4

Using an exact diagonalization method within the dynamical mean-field theory we study stripe phases in the two-dimensional Hubbard model. We find a crossover at doping $\delta\simeq 0.05$ from diagonal stripes to vertical site-centered stripes with populated domain walls, stable in a broad range of doping, $0.05<\delta<0.17$. The calculated chemical potential shift $\propto -\delta^2$ and the doping dependence of the magnetic incommensurability are in quantitative agreement with the experimental results for doped La$_{2-x}$Sr$_x$CuO$_4$. The electronic structure shows one-dimensional metallic behavior along the domain walls, and explains the suppression of spectral weight along the Brillouin zone diagonal.Comment: 4 pages, 4 figure