Review of the Synergies Between Computational Modeling and Experimental Characterization of Materials Across Length Scales

With the increasing interplay between experimental and computational approaches at multiple length scales, new research directions are emerging in materials science and computational mechanics. Such cooperative interactions find many applications in the development, characterization and design of complex material systems. This manuscript provides a broad and comprehensive overview of recent trends where predictive modeling capabilities are developed in conjunction with experiments and advanced characterization to gain a greater insight into structure-properties relationships and study various physical phenomena and mechanisms. The focus of this review is on the intersections of multiscale materials experiments and modeling relevant to the materials mechanics community. After a general discussion on the perspective from various communities, the article focuses on the latest experimental and theoretical opportunities. Emphasis is given to the role of experiments in multiscale models, including insights into how computations can be used as discovery tools for materials engineering, rather than to "simply" support experimental work. This is illustrated by examples from several application areas on structural materials. This manuscript ends with a discussion on some problems and open scientific questions that are being explored in order to advance this relatively new field of research.Comment: 25 pages, 11 figures, review article accepted for publication in J. Mater. Sc

Improving the scalability of parallel N-body applications with an event driven constraint based execution model

The scalability and efficiency of graph applications are significantly constrained by conventional systems and their supporting programming models. Technology trends like multicore, manycore, and heterogeneous system architectures are introducing further challenges and possibilities for emerging application domains such as graph applications. This paper explores the space of effective parallel execution of ephemeral graphs that are dynamically generated using the Barnes-Hut algorithm to exemplify dynamic workloads. The workloads are expressed using the semantics of an Exascale computing execution model called ParalleX. For comparison, results using conventional execution model semantics are also presented. We find improved load balancing during runtime and automatic parallelism discovery improving efficiency using the advanced semantics for Exascale computing.Comment: 11 figure

The chemistry of fluorine-bearing molecules in diffuse and dense interstellar gas clouds

We present a theoretical investigation of the chemistry of fluorine-bearing molecules in diffuse and dense interstellar gas clouds. The chemistry of interstellar fluorine is qualitatively different from that of any other element, because - unlike the neutral atoms of any other element found in diffuse or dense molecular clouds - atomic fluorine undergoes an exothermic reaction with molecular hydrogen. Over a wide range of conditions attained within interstellar gas clouds, the product of that reaction - hydrogen fluoride - is predicted to be the dominant gas-phase reservoir of interstellar fluorine nuclei. Our model predicts HF column densities ~ 1.E+13 cm-2 in dark clouds and column densities as large as 1.E-11 cm-2 in diffuse interstellar gas clouds with total visual extinctions as small as 0.1 mag. Such diffuse clouds will be detectable by means of absorption line spectroscopy of the J = 1 - 0 transition at 243.2 micron using the Stratospheric Observatory for Infrared Astronomy (SOFIA) and the Herschel Space Observatory (HSO). The CF+ ion is predicted to be the second most abundant fluorine-bearing molecule, with typical column densities a factor ~ 100 below those of HF; with its lowest two rotational transitions in the millimeter-wave spectral region, CF+ may be detectable from ground-based observatories. HF absorption in quasar spectra is a potential probe of molecular gas at high redshift, providing a possible bridge between the UV/optical observations capable of probing H2 in low column density systems and the radio/millimeter-wavelength observations that probe intervening molecular clouds of high extinction and large molecular fraction; at redshifts beyond ~ 0.3, HF is potentially detectable from ground-based submillimeter observatories in several atmospheric transmission windows.Comment: 34 pages, including 11 figures (10 color), accepted for publication in Ap

ToScA North America (6 – 8 June 2017, The University of Texas, Austin, TX) Program

ToScA North America will address key areas of science, including Multi-modal Imaging, Geosciences, Forensics, Increasing Contrast, Educational Outreach, Data, Materials Science and Medical and Biological Science.University of Texas High-Resolution X-ray CT Facility (UTCT); Jackson School of Geosciences, The University of Texas at Austin; Natural History Museum (London); Royal Microscopical Society (Oxford, UK)Geological Science

Wayne E. Sabbe Arkansas Soil Fertility Studies 2017

Rapid technological changes in crop management and production require that the research efforts be presented in an expeditious manner. The contributions of soil fertility and fertilizers are major production factors in all Arkansas crops. The studies described within will allow producers to compare their practices with the university’s research efforts. Additionally, soil-test data and fertilizer sales are presented to allow comparisons among years, crops, and other areas within Arkansas

Grain Growth-Controlled Giant Permittivity in Soft Chemistry CaCu3Ti4O12 Ceramics

We report a dielectric constant of up to 5.4105 at room temperature and 1 kHz for CaCu3Ti4O12 (CCTO) ceramics, derived from multiphase powders (coprecipitation products), made by a ‘‘chimie douce’’ (coprecipitation) method, and then sintered in air. The sintered products are pure-phase CCTO ceramics. The high dielectric constant is achieved by tuning the size of grains and the thickness of grain boundaries. The grain growth is controlled by varying the concentration of excess CuO in the initial powder (calcined coprecipitation products) between 1 and 3.1 wt%. The dielectric constant of pure CCTO ceramics increases with the initial CuO concentration, reaching its maximum at 2.4 wt% of CuO. A further increase of excess CuO in powders results in a permittivity decrease, accompanied by the formation of CuO as a separate phase in the sintered products. The unusual grain growth behavior is attributed to a eutectic reaction between CuO and TiO2 present in the initial powder

Meiobenthos of the discovery Bay Lagoon, Jamaica, with an emphasis on nematodes.

PhDSediment granulometry, microphytobenthos and meiobenthos were investigated at five habitats (white and grey sands, backreef border, shallow and deep thalassinid ghost shrimp mounds) within the western lagoon at Discovery Bay, Jamaica. Habitats were ordinated into discrete stations based on sediment granulometry. Microphytobenthic chlorophyll-a ranged between 9.5- and 151.7 mg m-2 and was consistently highest at the grey sand habitat over three sampling occasions, but did not differ between the remaining habitats. It is suggested that the high microphytobenthic biomass in grey sands was related to upwelling of nutrient rich water from the nearby main bay, and the release and excretion of nutrients from sediments and burrowing heart urchins, respectively. Meiofauna abundance ranged from 284- to 5344 individuals 10 cm-2 and showed spatial differences depending on taxon. Of 22 higher taxa recorded, nematodes dominated followed by copepods, together accounting for ~80 % of all individuals. Both taxa were most abundant in grey sands, suggesting a response, either directly or indirectly, to the high microphyte biomass. Significant withinhabitat spatial variability in both meio- and microphytobenthos was found, causes of which are discussed. Nematode feeding groups varied between habitats. Fine white sands and both thalassinid mound habitats were dominated by non-selective deposit feeders. Slender and plump nematode morphotypes were found, yet the plump morphotype was largely absent from coarse sands subjected to high wave swash at the backreef border habitat. Here, nematode lengths were significantly higher than at other habitats. Nematode biomass spectra differed significantly between habitats, with a shift in peak biomass values towards larger size classes in the disturbed sediments. It is suggested that 3 longer and larger nematodes represent an adaptation to sediment disturbance, helping to prevent being displaced from the benthos by hydrodynamic forces and bioturbation

Comprehensive Review of Opinion Summarization

The abundance of opinions on the web has kindled the study of opinion summarization over the last few years. People have introduced various techniques and paradigms to solving this special task. This survey attempts to systematically investigate the different techniques and approaches used in opinion summarization. We provide a multi-perspective classification of the approaches used and highlight some of the key weaknesses of these approaches. This survey also covers evaluation techniques and data sets used in studying the opinion summarization problem. Finally, we provide insights into some of the challenges that are left to be addressed as this will help set the trend for future research in this area.unpublishednot peer reviewe