Reduced Joule heating in nanowires

The temperature distribution in nanowires due to Joule heating is studied analytically using a continuum model and a Green's function approach. We show that the temperatures reached in nanowires can be much lower than that predicted by bulk models of Joule heating, due to heat loss at the nanowire surface that is important at nanoscopic dimensions, even when the thermal conductivity of the environment is relatively low. In addition, we find that the maximum temperature in the nanowire scales weakly with length, in contrast to the bulk system. A simple criterion is presented to assess the importance of these effects. The results have implications for the experimental measurements of nanowire thermal properties, for thermoelectric applications, and for controlling thermal effects in nanowire electronic devices.Comment: 4 pages, 3 figures. To appear in Applied Physics Letter

Computational characterization and prediction of metal-organic framework properties

In this introductory review, we give an overview of the computational chemistry methods commonly used in the field of metal-organic frameworks (MOFs), to describe or predict the structures themselves and characterize their various properties, either at the quantum chemical level or through classical molecular simulation. We discuss the methods for the prediction of crystal structures, geometrical properties and large-scale screening of hypothetical MOFs, as well as their thermal and mechanical properties. A separate section deals with the simulation of adsorption of fluids and fluid mixtures in MOFs

Self-consistent ac quantum transport using nonequilibrium Green functions

We develop an approach for self-consistent ac quantum transport in the presence of time-dependent potentials at non-transport terminals. We apply the approach to calculate the high-frequency characteristics of a nanotube transistor with the ac signal applied at the gate terminal. We show that the self-consistent feedback between the ac charge and potential is essential to properly capture the transport properties of the system. In the on-state, this feedback leads to the excitation of plasmons, which appear as pronounced divergent peaks in the dynamic conductance at terahertz frequencies. In the off-state, these collective features vanish, and the conductance exhibits smooth oscillations, a signature of single-particle excitations. The proposed approach is general and will allow the study of the high-frequency characteristics of many other low-dimensional nanoscale materials such as nanowires and graphene-based systems, which are attractive for terahertz devices, including those that exploit plasmonic excitations.Comment: 11 pages, 5 figures, accepted in Physical Review

Inequality of Outcomes and Inequality of Opportunities in Brazil

This paper departs from John Roemer's theory of equality of opportunities. We seek to determine what part of observed outcome inequality may be attributed to differences in observed 'circumstances', including family background, and what part is due to 'personal efforts'. We use a micro-econometric technique to simulate what the distribution of outcomes would look like if 'circumstances' were the same for everybody. This technique is applied to Brazilian data from the 1996 household survey, both for earnings and for household incomes. It is shown that observed circumstances are a major source of outcome inequality in Brazil, probably more so than in other countries for which information is available. Nevertheless, the level of inequality after observed circumstances are equalized remains very high in Brazil.http://deepblue.lib.umich.edu/bitstream/2027.42/40016/3/wp630.pd

Beyond Oaxaca-Blinder: Accounting for Differences in Household Income Distributions Across Countries

This paper develops a micro-econometric method to account for differences across distributions of household income. Going beyond the determination of earnings in labor markets, we also estimate statistical models for occupational choice and for the conditional distributions of education, fertility and non-labor incomes. We import combinations of estimated parameters from these models to simulate counterfactual income distributions. This allows us to decompose differences between functionals of two income distributions (such as inequality or poverty measures) into shares due to differences in the structure of labor market returns (price effects); differences in the occupational structure; and differences in the underlying distribution of assets (endowment effects). We apply the method to the differences between the Brazilian income distribution and those of the United States and Mexico, and find that most of Brazil's excess income inequality is due to underlying inequalities in the distribution of two key endowments: access to education and to sources of non-labor income, mainly pensions.http://deepblue.lib.umich.edu/bitstream/2027.42/39863/3/wp478.pd

Ex-ante Evaluation of Conditional Cash Transfer Programs: The Case of Bolsa Escola

Cash transfers targeted to poor people, but conditional on some behavior on their part, such as school attendance or regular visits to health care facilities, are being adopted in a growing number of developing countries. Even where ex-post impact evaluations have been conducted, a number of policy-relevant counterfactual questions have remained unanswered. These are questions about the potential impact of changes in program design, such as benefit levels or the choice of the means-test, on both the current welfare and the behavioral response of household members. This paper proposes a method to simulate the effects of those alternative program designs on welfare and behavior, based on micro-econometrically estimated models of household behavior. In an application to Brazil’s recently introduced federal Bolsa Escola program, we find a surprisingly strong effect of the conditionality on school attendance, but a muted impact of the transfers on the reduction of current poverty and inequality levels.http://deepblue.lib.umich.edu/bitstream/2027.42/39901/3/wp516.pd

A Simple and Efficient Regularization Method for 3D BEM: Application to Frequency-Domain Elastodynamics

An efficient and easy-to-implement method is proposed to regularize integral equations in the 3D boundary element method (BEM). The method takes advantage of an assumed three-noded triangle discretization of the boundary surfaces. The method is based on the derivation of analytical expressions of singular integrals. To demonstrate the accuracy of the method, three elastodynamic problems are numerically worked out in the frequency domain: a cavity under harmonic pressure, diffraction of a plane wave by a spherical cavity, and amplification of seismic waves in a semispherical alluvial basin (the second one is also investigated in the time domain). The numerical results are compared to semi-analytical solutions; a close agreement is found for all problems, showing the accuracy of the proposed method