Effect of grain disorientation on early fatigue crack propagation in face-centred-cubic polycristals: A three-dimensional dislocation dynamics investigation

Three-dimensional dislocation dynamics simulations are used to study micro-crack interaction with the first micro-structural barrier in face-centred cubic bi-crystals loaded in high cycle fatigue conditions. In the examined configuration, we assumed that micro-crack transmission occurs due to surface relief growth in the secondary grain ahead of the primary crack. This indirect transmission mechanism is shown to strongly depend on grain-1/grain-2 disorientation. For instance, small grain disorientation induces plastic strain localisation ahead of the crack and faster transmission through the first barrier. Conversely, large grain-1/grain-2 disorientation induces plastic strain spreading similar to crack tip blunting yielding slower indirect transmission. A semi-analytical micro-model is developed based on the present simulation results and complementary experimental observations highlighting the original notion of first-barrier compliance. The model captures well known experimental trends including effects of: grain-size, grain disorientation and micro-crack retardation at the first barrier

Dehydration mechanism of a small molecular solid: 5-nitrouracil hydrate

Previous studies of the dehydration of 5-nitrouracil (5NU) have resulted in it being classified as a ‘‘channel hydrate’’ in which dehydration proceeds principally by the exit of the water molecules along channels in the structure. We have re-examined this proposal and found that in fact there are no continuous channels in the 5NU structure that would contribute to such a mechanism. Product water molecules would be immediately trapped in unlinked voids in the crystal structure and would require some additional mechanism to break loose from the crystal. Through a detailed structural analysis of the macro and micro structure of the 5NU as it dehydrates, we have developed a model for the dehydration process based on the observed development of structural defects in the 5NU crystal and the basic crystallography of the material. The model was tested against standard kinetic measurements and found to present a satisfactory account of kinetic observations, thus defining the mechanism. Overall, the study shows the necessity of complementing standard kinetic studies with a parallel macro and micro examination of the dehydrating material when evaluating the mechanisms of dehydration and decomposition processes

Automobile Prices, Gasoline Prices, and Consumer Demand for Fuel Economy

The relationship between gasoline prices and the demand for vehicle fuel efficiency is important for environmental policy but poorly understood in the academic literature. We provide empirical evidence that automobile manufacturers price as if consumers respond to gasoline prices. We derive a reduced-form regression equation from theoretical micro-foundations and estimate the equation with nearly 300,000 vehicle-week-region observations over the period 2003-2006. We find that vehicle prices generally decline in the gasoline price. The decline is larger for inefficient vehicles, and the prices of particularly efficient vehicles actually rise. Structural estimation that ignores these effects underestimates consumer preferences for fuel efficiency.Automobiles, Gasoline, Consumer Preference, Demand, Fuel Efficiency

Nanocellulose Fragmentation Mechanisms and Inversion of Chirality from the Single Particle to the Cholesteric Phase

Understanding how nanostructure and nanomechanics influence physical material properties on the micro- and macroscale is an essential goal in soft condensed matter research. Mechanisms governing fragmentation and chirality inversion of filamentous colloids are of specific interest because of their critical role in load-bearing and self-organizing functionalities of soft nanomaterials. Here we provide a fundamental insight into the self-organization across several length scales of nanocellulose, an important bio-colloid system with wide-ranging applications as structural, insulating and functional material. Through a combined microscopic and statistical analysis of nanocellulose fibrils at the single particle level, we show how mechanically and chemically induced fragmentation proceed in this system. Moreover, by studying the bottom-up self-assembly of fragmented carboxylated cellulose nanofibrils into cholesteric liquid crystals, we show via direct microscopic observations, that the chirality is inverted from right-handed at the nanofibril level to left-handed at the level of the liquid crystal phase. These results improve our fundamental understanding of nanocellulose and provide an important rationale for their application in colloidal systems, liquid crystals and nanomaterials

Multilevel comparison of large urban systems

For the first time the systems of cities in seven countries or regions among the largest in the world (China, India, Brazil, Europe, the Former Soviet Union (FSU), the United States and South Africa) are made comparable through the building of spatio-temporal standardised statistical databases. We first explain the concept of a generic evolutionary urban unit ("city") and its necessary adaptations to the information provided by each national statistical system. Second, the hierarchical structure and the urban growth process are compared at macro-scale for the seven countries with reference to Zipf's and Gibrat's model: in agreement with an evolutionary theory of urban systems, large similarities shape the hierarchical structure and growth processes in BRICS countries as well as in Europe and United States, despite their positions at different stages in the urban transition that explain some structural peculiarities. Third, the individual trajectories of some 10,000 cities are mapped at micro-scale following a cluster analysis of their evolution over the last fifty years. A few common principles extracted from the evolutionary theory of urban systems can explain the diversity of these trajectories, including a specific pattern in their geographical repartition in the Chinese case. We conclude that the observations at macro-level when summarized as stylised facts can help in designing simulation models of urban systems whereas the urban trajectories identified at micro-level are consistent enough for constituting the basis of plausible future population projections.Comment: 14 pages, 9 figures; Pumain, Denise, et al. "Multilevel comparison of large urban systems." Cybergeo: European Journal of Geography (2015

Effect of Dependent Scattering on Light Absorption in Highly Scattering Random Media

The approximate nature of radiative transfer equation (RTE) leads to a bunch of considerations on the effect of "dependent scattering" in random media, especially particulate media composed of discrete scatterers, in the last a few decades, which usually indicates those deviations RTE (combined with ISA) lead to from experimental and exact numerical results due to electromagnetic wave interference. Here we theoretically and numerically demonstrate the effect of dependent scattering on absorption in disordered media consisting of highly scattering scatterers. By making comparison between the independent scattering approximation-radiative transfer equation (ISA-RTE) and the full-wave coupled dipole method (CDM), we find that deviations between the two methods increase as scatterer density in the media increases. The discrepancy also grows with optical thickness. To quantitatively take dependent scattering effect into account, we develop a theoretical model using quasi-crystalline approximation (QCA) to derive dependent-scattering corrected radiative properties, based on the path-integral diagrammatic technique in multiple scattering theory. The model results in a more reasonable agreement with numerical simulations. The present work has profound implications for the coherent scattering physics in random media with absorption, correctly modeling light absorptance in random media and interpreting the experimental observations in various applications for random media such as solar energy concentration, micro/nanofluids, structural color generation, etc.Comment: 30 pages, 8 figures, submitte

Examination of the macroeconomic implicit tax rate on labour derived by the European Commission

All tax indicator estimates, whether based on aggregate- or micro data, need to be corroborated by other information and preferably also other tax indicators before policy conclusions can reasonably be drawn. The purpose of this paper is to describe the way the (macroeconomic implicit tax rate on labour income is calculated in the European Commission Structures of the Taxation Systems in the EU? publication, to show its relationship to the widely recognised (microeconomic) tax wedge indicator for an average production worker from the "Taxing Wages" approach of the OECD, and to illustrate its use. It appears from the European Commission report that evidence from the implicit tax ratio at the macro level in a single year cannot simply be projected to observations for an average worker at the micro level, and conversely. With a few exemptions, however, both the macroeconomic and the microeconomic indicator appear to have comparable informative content as regards to general increasing or decreasing trends over time. It should be noted that the changes in the macroeconomic implicit tax rate may reflect structural changes in the entire economy, such as changes in the distribution of wage income. The implicit tax rate relates to actual tax revenue data and it could be, for example, that the revenue effect of targeted reductions in personal income tax, at say, the lower end of the income scale, has been offset by increases in wage income at the top of the wage scale. The two indicators could then be considered complementary instruments for evaluating tax policy.European Union, Tax indicators, Effective tax rates, Taxes on labour, Non-wage labour costs

Linear mixed models with endogenous covariates: modeling sequential treatment effects with application to a mobile health study

Mobile health is a rapidly developing field in which behavioral treatments are delivered to individuals via wearables or smartphones to facilitate health-related behavior change. Micro-randomized trials (MRT) are an experimental design for developing mobile health interventions. In an MRT the treatments are randomized numerous times for each individual over course of the trial. Along with assessing treatment effects, behavioral scientists aim to understand between-person heterogeneity in the treatment effect. A natural approach is the familiar linear mixed model. However, directly applying linear mixed models is problematic because potential moderators of the treatment effect are frequently endogenous---that is, may depend on prior treatment. We discuss model interpretation and biases that arise in the absence of additional assumptions when endogenous covariates are included in a linear mixed model. In particular, when there are endogenous covariates, the coefficients no longer have the customary marginal interpretation. However, these coefficients still have a conditional-on-the-random-effect interpretation. We provide an additional assumption that, if true, allows scientists to use standard software to fit linear mixed model with endogenous covariates, and person-specific predictions of effects can be provided. As an illustration, we assess the effect of activity suggestion in the HeartSteps MRT and analyze the between-person treatment effect heterogeneity