On the elastic modulus of metallic nanowires

Previous atomistic simulations and experiments have attributed size effects in the elastic modulus of Ag nanowires to surface energy effects inherent to metallic surfaces. However, differences in experimental and computational trends analyzed here imply that other factors are controlling experimentally observed modulus changes. This study utilizes atomistic simulations to determine how strongly nanowire geometry and surface structure influence nanowire elastic modulus. The results demonstrate that although these factors do influence the elastic modulus of Ag nanowires to some extent, they alone are insufficient to explain current experimental trends in nanowire modulus with decreasing dimensional scale. Future work needs to be done to determine whether other factors, such as surface contaminants or oxide layers, contribute to the experimentally observed elastic modulus increase.     

Concurrent design of hierarchical materials and structures

Significant achievements have been demonstrated in computational materials design and its broadening application in concurrent engineering. Best practices are assessed and opportunities for improvement identified, with implications for modeling and simulation in science and engineering. Successful examples of integration in undergraduate education await broader dissemination.     

The influence of attachment to beef surfaces on the survival of cells of Salmonella enterica serovar Typhimurium DT104, at different a(w) values and at low storage temperatures

This study investigated the influence of attachment to beef surfaces on the survival, injury and death of stationary phase cells of Salmonella enterica serovar Typhimurium DT104, compared to cells free in solution. The effects on cells are considered at different a(w) values and low temperatures in relation to osmotic and cold temperature shock effects. Attachment of cells to meat surfaces prevented cell injury and death from hyperosmosis and low temperatures, compared to meat solutions. Storage of cells for 72h resulted in higher levels of cell death on cells attached to meat surfaces. The improved survival of cells in solutions was considered to be related to adaptation to osmotic stress as a result of exposure to a previous hyperosmotic shock and the ability of the cells to produce cold shock proteins. Pathogen cell growth at low temperatures is discussed in relation to the presence of low levels of NaCl. Finally the data is discussed in relation to pathogen survival on beef carcass surfaces during refrigeration.     

Linking phase-field and finite-element modeling for process–structure–property relations of a Ni-base superalloy

Establishing process–structure–property relationships is an important objective in the paradigm of materials design in order to reduce the time and cost needed to develop new materials. A method to link phase-field (process–structure relations) and microstructure-sensitive finite-element (structure–property relations) modeling is demonstrated for subsolvus polycrystalline IN100. A three-dimensional experimental dataset obtained by orientation imaging microscopy performed on serial sections is utilized to calibrate a phase-field model and to calculate inputs for a finite-element analysis. Simulated annealing of the dataset realized through phase-field modeling results in a range of coarsened microstructures with varying grain size distributions that are each input into the finite-element model. A rate-dependent crystal plasticity constitutive model that captures the first-order effects of grain size, precipitate size and precipitate volume fraction on the mechanical response of IN100 at 650 °C is used to simulate stress–strain behavior of the coarsened polycrystals. Model limitations and ideas for future work are discussed.     

Assessment of small fatigue crack growth driving forces in single crystals with and without slip bands

Strain localization under low amplitude cyclic loading is a manifestation of plastic irreversible deformation associated with early crack growth. However, traditional constitutive models cannot usually reproduce strain localization in smooth single crystals, which can affect crack growth predictions for crystallographic fatigue cracks. This work analyzes the influence of bands of localized plastic shear strain on the cyclic crack tip displacement and on a fatigue indicator parameter by making special provision of a crack along the interface of a deformation band. Furthermore, the quality of local and volume-averaged fatigue indicator parameters are assessed using finite element models of a Cu single crystal cycled to induce plastic deformation under multiple loading conditions.     

Stable cycling of double-walled silicon nanotube battery anodes through solid-electrolyte interphase control

Although the performance of lithium ion-batteries continues to improve, their energy density and cycle life remain insufficient for applications in consumer electronics, transport and large-scale renewable energy storage. Silicon has a large charge storage capacity and this makes it an attractive anode material, but pulverization during cycling and an unstable solid-electrolyte interphase has limited the cycle life of silicon anodes to hundreds of cycles. Here, we show that anodes consisting of an active silicon nanotube surrounded by an ion-permeable silicon oxide shell can cycle over 6,000 times in half cells while retaining more than 85% of their initial capacity. The outer surface of the silicon nanotube is prevented from expansion by the oxide shell, and the expanding inner surface is not exposed to the electrolyte, resulting in a stable solid-electrolyte interphase. Batteries containing these double-walled silicon nanotube anodes exhibit charge capacities approximately eight times larger than conventional carbon anodes and charging rates of up to 20C (a rate of 1C corresponds to complete charge or discharge in one hour).     

A method to model realistic particle shape and inertia in DEM

A simple and fast original method to create irregular particle shapes for the discrete element method using overlapping spheres is described. The effects of its parameters on the resolution of the particle shape are discussed. Overlapping spheres induce a non-uniform density inside the particle leading to incorrect moments of inertia and therefore rotational behaviour. A simple method to reduce the error in the principal moments of inertia which acts on the individual densities of the spheres is also described. The pertinence of the density correction is illustrated by the case of free falling ballast particles forming a heap on a flat surface. In addition to improve behaviour, the correction reduces also computational time. The model is then used to analyse the interaction between ballast and geogrid by simulating pull-out tests. The pulling force results show that the model apprehends better the ballast geogrid interlocking than models with simple representation of the shape of the particles. It points out the importance of modelling accurately the shape of particles in discrete element simulations.     

Simulation of slip band evolution in duplex Ti–6Al–4V

Formation of slip bands plays an important role in deformation and fatigue processes of duplex Ti–6Al–4V. In this study, shear-enhanced crystal plasticity constitutive relations are proposed to account for the slip softening due to breakdown of the short-range order between titanium and aluminum atoms. A hybrid strategy is developed which allows the softening to occur in slip bands only within the primary α phase, with the degree of localization depending on the specific polycrystalline initial-boundary-value problem and the requirements for compatibility of each grain or phase with its neighbors. The proposed model is calibrated by performing finite-element (FE) simulations on an experimentally studied Ti–6Al–4V alloy. The slip behavior of a Ti–6Al–4V sample subjected to an in situ (scanning electron microscopy (SEM)) tensile test is investigated. A two-dimensional (2-D) FE with 3-D crystal plasticity relations is constructed to represent the microstructure of the Ti–6Al–4V sample. Due to the lack of access to fully 3-D microstructure, a generalized plane-strain condition is used in the FE model which assumes columnar grains that are free of net traction in the direction normal to the surface. The assumption of columnar grains significantly reduces the computational cost. The contours of effective plastic strain are compared with the surface SEM micrographs from experiments at various strain levels. It is shown that the proposed approach for modeling slip bands qualitatively captures experimentally observed slip band behavior.     

Continuum modeling of localized deformation in irradiated bcc materials

A continuum constitutive crystal plasticity framework is implemented to model the post-irradiation tensile behavior of bcc structural materials, accounting for localized deformation due to the formation of dislocation channels. Both the mechanical response and deformed microstructure of the material are modeled for quasi-static tensile loading. The latter is studied to identify the stages of dislocation channel formation during localization, specifically with respect to the evolution of dislocations and irradiation-induced defects. Parametric studies of the cross-slip and flow softening (due to annihilation of irradiation-induced defects) models are performed to study their effects on the localization behavior. Results are compared to available experimental data.     

Exercise improves executive function and achievement and alters brain activation in overweight children: A randomized, controlled trial.

Objective: This experiment tested the hypothesis that exercise would improve executive function. Design: Sedentary, overweight 7- to 11-year-old children (N = 171, 56% girls, 61% Black, M ± SD age = 9.3 ± 1.0 years, body mass index [BMI] = 26 ± 4.6 kg/m2, BMI z-score = 2.1 ± 0.4) were randomized to 13 ± 1.6 weeks of an exercise program (20 or 40 min/day), or a control condition. Main Outcome Measures: Blinded, standardized psychological evaluations (Cognitive Assessment System and Woodcock-Johnson Tests of Achievement III) assessed cognition and academic achievement. Functional MRI measured brain activity during executive function tasks. Results: Intent to treat analysis revealed dose-response benefits of exercise on executive function and mathematics achievement. Preliminary evidence of increased bilateral prefrontal cortex activity and reduced bilateral posterior parietal cortex activity attributable to exercise was also observed. Conclusion: Consistent with results obtained in older adults, a specific improvement on executive function and brain activation changes attributable to exercise were observed. The cognitive and achievement results add evidence of dose-response and extend experimental evidence into childhood. This study provides information on an educational outcome. Besides its importance for maintaining weight and reducing health risks during a childhood obesity epidemic, physical activity may prove to be a simple, important method of enhancing aspects of children's mental functioning that are central to cognitive development. This information may persuade educators to implement vigorous physical activity. (PsycINFO Database Record (c) 2010 APA, all rights reserved)