Monte Carlo simulations of nucleation of colloidal crystals

A crystal nucleus in a finite volume may exhibit phase coexistence with a surrounding fluid. The thermodynamic properties of the coexisting fluid (pressure and chemical potential) are enhanced relative to their coexistence values. This enhancement is uniquely related to the surface excess free energy. rnA model for weakly attractive soft colloidal particles is investigated, the so called Asakura-Oosawa model. In simulations, this model allows for the calculation of the pressure in the liquid using the virial formula directly. The phase coexistence pressure in the thermodynamic limit is obtained from the interface velocity method. We introduce a method by which the chemical potential in dense liquids can be measured. There is neither a need to locate the interface nor to compute the anisotropic interfacial tension to obtain nucleation barriers. Therefore, our analysis is appropriate for nuclei of arbitrary shape. Monte Carlo simulations over a wide range of nucleus volumes yield to nucleation barriers independent from the total system volume. The interfacial tension is determined via the ensemble-switch method, hence a detailed test of classical nucleation theory is possible. The anisotropy of the interfacial tension and the resulting non-spherical shape has only a minor effect on the barrier for the Asakura-Oosawa model.

User centered retrofit: The case of kadk campus, Copenhagen, (dk)

The following research thesis is about a retrofit project made in Denmark, Copenhagen, and carried out on one of the buildings belonging to the Royal Danish Academy. The key assumption and base of the entire research process is that, up to now, the standard procedure in retrofit cases like this provides as comparative method between de facto and design, the use of Energy Simulation software. These programs generally divide the space into different thermal zones, assigning to each of them different levels of employment, activities, set-point temperatures set for cooling and heating analysis and so on, but always providing average and constant values, usually taken in the middle point of the single thermal zone. Therefore, the project and its research path stems from the attempt to investigate the potentialities of this kind of designing for retrofit process, as previously anticipated not antithetical but complementary to that classic energy-based retrofit, thus passing from the building scale, and all its thermal zones, to the users' scale, related to humans and microclimates. The main software used in this process is Autodesk Simulation CFD. The idea behind the project is that in certain situations, for example, it will not be necessary to add throughout insulation layers (previously parameterized and optimized with Design Builder), and that even in Winter conditions, due maybe to the users' activities, the increased level of clothing (clo) and the heat produced by equipments, thermal comfort could be achieved also in areas characterized by considerably lower MRT. After the analysis of the State of Art and its simulations, the project has still been supported by the tool itself, the CFD Software, in an iterative process aimed at achieving visible improvements in terms of MRT, on spaces with different needs and characteristics, both in Winter and Summer regimes.

Anisotropy in plastic deformation of extruded magnesium alloy sheet during tensile straining at high temperature

Experimental measurements are used to characterize the anisotropy of flow stress in extruded magnesium alloy AZ31 sheet during uniaxial tension tests at temperatures between 350°C and 450°C, and strain rates ranging from 10-5 to 10-2 s-1. The sheet exhibits lower flow stress and higher tensile ductility when loaded with the tensile axis perpendicular to the extrusion direction compared to when it is loaded parallel to the extrusion direction. This anisotropy is found to be grain size, strain rate, and temperature dependent, but is only weakly dependent on texture. A microstructure based model (D. E. Cipoletti, A. F. Bower, P. E. Krajewski, Scr. Mater., 64 (2011) 931–934) is used to explain the origin of the anisotropic behavior. In contrast to room temperature behavior, where anisotropy is principally a consequence of the low resistance to slip on the basal slip system, elevated temperature anisotropy is found to be caused by the grain structure of extruded sheet. The grains are elongated parallel to the extrusion direction, leading to a lower effective grain size perpendicular to the extrusion direction. As a result, grain boundary sliding occurs more readily if the material is loaded perpendicular to the extrusion direction.

A high-resolution soil erosion risk map of Switzerland as strategic policy support system

Soil erosion models and soil erosion risk maps are often used as indicators to assess potential soil erosion in order to assist policy decisions. This paper shows the scientific basis of the soil erosion risk map of Switzerland and its application in policy and practice. Linking a USLE/RUSLE-based model approach (AVErosion) founded on multiple flow algorithms and the unit contributing area concept with an extremely precise and high-resolution digital terrain model (2 m × 2 m grid) using GIS allows for a realistic assessment of the potential soil erosion risk, on single plots, i.e. uniform and comprehensive for the agricultural area of Switzerland (862,579 ha in the valley area and the lower mountain regions). The national or small-scale soil erosion prognosis has thus reached a level heretofore possible only in smaller catchment areas or single plots. Validation was carried out using soil loss data from soil erosion damage mappings in the field from long-term monitoring in different test areas. 45% of the evaluated agricultural area of Switzerland was classified as low potential erosion risk, 12% as moderate potential erosion risk, and 43% as high potential erosion risk. However, many of the areas classified as high potential erosion risk are located at the transition from valley to mountain zone, where many areas are used as permanent grassland, which drastically lowers their current erosion risk. The present soil erosion risk map serves on the one hand to identify and prioritise the high-erosion risk areas, and on the other hand to promote awareness amongst farmers and authorities. It was published on the internet and will be made available to the authorities in digital form. It is intended as a tool for simplifying and standardising enforcement of the legal framework for soil erosion prevention in Switzerland. The work therefore provides a successful example of cooperation between science, policy and practice.

High temperature, low cycle fatigue of a hybrid particulate/fiber aluminum metal-matrix composite

The effect of shot particles on the high temperature, low cycle fatigue of a hybrid fiber/particulate metal-matrix composite (MMC) was studied. Two hybrid composites with the general composition A356/35%SiC particle/5%Fiber (one without shot) were tested. It was found that shot particles acting as stress concentrators had little effect on the fatigue performance. It appears that fibers with a high silica content were more likely to debond from the matrix. Final failure of the composite was found to occur preferentially in the matrix. SiC particles fracture progressively during fatigue testing, leading to higher stress in the matrix, and final failure by matrix overload. A continuum mechanics based model was developed to predict failure in fatigue based on the tensile properties of the matrix and particles. By accounting for matrix yielding and recovery, composite creep and particle strength distribution, failure of the composite was predicted.

Modeling and classifying variable width riparian zones utilizing digital elevation models, flood height data, digital soil data and national wetlands inventory : a new approach for riparian zone delineation

Riparian zones are dynamic, transitional ecosystems between aquatic and terrestrial ecosystems with well defined vegetation and soil characteristics. Development of an all-encompassing definition for riparian ecotones, because of their high variability, is challenging. However, there are two primary factors that all riparian ecotones are dependent on: the watercourse and its associated floodplain. Previous approaches to riparian boundary delineation have utilized fixed width buffers, but this methodology has proven to be inadequate as it only takes the watercourse into consideration and ignores critical geomorphology, associated vegetation and soil characteristics. Our approach offers advantages over other previously used methods by utilizing: the geospatial modeling capabilities of ArcMap GIS; a better sampling technique along the water course that can distinguish the 50-year flood plain, which is the optimal hydrologic descriptor of riparian ecotones; the Soil Survey Database (SSURGO) and National Wetland Inventory (NWI) databases to distinguish contiguous areas beyond the 50-year plain; and land use/cover characteristics associated with the delineated riparian zones. The model utilizes spatial data readily available from Federal and State agencies and geospatial clearinghouses. An accuracy assessment was performed to assess the impact of varying the 50-year flood height, changing the DEM spatial resolution (1, 3, 5 and 10m), and positional inaccuracies with the National Hydrography Dataset (NHD) streams layer on the boundary placement of the delineated variable width riparian ecotones area. The result of this study is a robust and automated GIS based model attached to ESRI ArcMap software to delineate and classify variable-width riparian ecotones.

Modeling mechanical response of heterogeneous materials

Heterogeneous materials are ubiquitous in nature and as synthetic materials. These materials provide unique combination of desirable mechanical properties emerging from its heterogeneities at different length scales. Future structural and technological applications will require the development of advanced light weight materials with superior strength and toughness. Cost effective design of the advanced high performance synthetic materials by tailoring their microstructure is the challenge facing the materials design community. Prior knowledge of structure-property relationships for these materials is imperative for optimal design. Thus, understanding such relationships for heterogeneous materials is of primary interest. Furthermore, computational burden is becoming critical concern in several areas of heterogeneous materials design. Therefore, computationally efficient and accurate predictive tools are highly essential. In the present study, we mainly focus on mechanical behavior of soft cellular materials and tough biological material such as mussel byssus thread. Cellular materials exhibit microstructural heterogeneity by interconnected network of same material phase. However, mussel byssus thread comprises of two distinct material phases. A robust numerical framework is developed to investigate the micromechanisms behind the macroscopic response of both of these materials. Using this framework, effect of microstuctural parameters has been addressed on the stress state of cellular specimens during split Hopkinson pressure bar test. A voronoi tessellation based algorithm has been developed to simulate the cellular microstructure. Micromechanisms (microinertia, microbuckling and microbending) governing macroscopic behavior of cellular solids are investigated thoroughly with respect to various microstructural and loading parameters. To understand the origin of high toughness of mussel byssus thread, a Genetic Algorithm (GA) based optimization framework has been developed. It is found that two different material phases (collagens) of mussel byssus thread are optimally distributed along the thread. These applications demonstrate that the presence of heterogeneity in the system demands high computational resources for simulation and modeling. Thus, Higher Dimensional Model Representation (HDMR) based surrogate modeling concept has been proposed to reduce computational complexity. The applicability of such methodology has been demonstrated in failure envelope construction and in multiscale finite element techniques. It is observed that surrogate based model can capture the behavior of complex material systems with sufficient accuracy. The computational algorithms presented in this thesis will further pave the way for accurate prediction of macroscopic deformation behavior of various class of advanced materials from their measurable microstructural features at a reasonable computational cost.

Lava discharge rate estimates from thermal infrared satellite data at Pacaya Volcano, Guatemala

Time-averaged discharge rates (TADR) were calculated for five lava flows at Pacaya Volcano (Guatemala), using an adapted version of a previously developed satellite-based model. Imagery acquired during periods of effusive activity between the years 2000 and 2010 were obtained from two sensors of differing temporal and spatial resolutions; the Moderate Resolution Imaging Spectroradiometer (MODIS), and the Geostationary Operational Environmental Satellites (GOES) Imager. A total of 2873 MODIS and 2642 GOES images were searched manually for volcanic “hot spots”. It was found that MODIS imagery, with superior spatial resolution, produced better results than GOES imagery, so only MODIS data were used for quantitative analyses. Spectral radiances were transformed into TADR via two methods; first, by best-fitting some of the parameters (i.e. density, vesicularity, crystal content, temperature change) of the TADR estimation model to match flow volumes previously estimated from ground surveys and aerial photographs, and second by measuring those parameters from lava samples to make independent estimates. A relatively stable relationship was defined using the second method, which suggests the possibility of estimating lava discharge rates in near-real-time during future volcanic crises at Pacaya.

A STUDY ON THE FEASIBILITY OF UNIVERSAL CHIP CONTROL IN MACHINING

A novel solution to the long standing issue of chip entanglement and breakage in metal cutting is presented in this dissertation. Through this work, an attempt is made to achieve universal chip control in machining by using chip guidance and subsequent breakage by backward bending (tensile loading of the chip's rough top surface) to effectively control long continuous chips into small segments. One big limitation of using chip breaker geometries in disposable carbide inserts is that the application range is limited to a narrow band depending on cutting conditions. Even within a recommended operating range, chip breakers do not function effectively as designed due to the inherent variations of the cutting process. Moreover, for a particular process, matching the chip breaker geometry with the right cutting conditions to achieve effective chip control is a very iterative process. The existence of a large variety of proprietary chip breaker designs further exacerbates the problem of easily implementing a robust and comprehensive chip control technique. To address the need for a robust and universal chip control technique, a new method is proposed in this work. By using a single tool top form geometry coupled with a tooling system for inducing chip breaking by backward bending, the proposed method achieves comprehensive chip control over a wide range of cutting conditions. A geometry based model is developed to predict a variable edge inclination angle that guides the chip flow to a predetermined target location. Chip kinematics for the new tool geometry is examined via photographic evidence from experimental cutting trials. Both qualitative and quantitative methods are used to characterize the chip kinematics. Results from the chip characterization studies indicate that the chip flow and final form show a remarkable consistency across multiple levels of workpiece and tool configurations as well as cutting conditions. A new tooling system is then designed to comprehensively break the chip by backward bending. Test results with the new tooling system prove that by utilizing the chip guidance and backward bending mechanism, long continuous chips can be more consistently broken into smaller segments that are generally deemed acceptable or good chips. It is found that the proposed tool can be applied effectively over a wider range of cutting conditions than present chip breakers thus taking possibly the first step towards achieving universal chip control in machining.

Construction Grammar For Kids

Most accounts of child language acquisition use as analytic tools adult-like syntactic categories and schemas (formal grammars) with little concern for whether they are psychologically real for young children. Recent research has demonstrated, however, that children do not operate initially with such abstract linguistic entities, but instead operate on the basis of concrete, item-based constructions. Children construct more abstract linguistic constructions only gradually – on the basis of linguistic experience in which frequency plays a key role – and they constrain these constructions to their appropriate ranges of use only gradually as well – again on the basis of linguistic experience in which frequency plays a key role. The best account of first language acquisition is provided by a construction-based, usage-based model in which children process the language they experience in discourse interactions with other persons, relying explicitly and exclusively on social and cognitive skills that children of this age are known to possess.

Unsticking the centre-piece – the liberation of European copyright law?

Following European legislative initiatives in the field of copyright limitations and exceptions, policy flexibilities formerly available to mem- ber states has been greatly diminished. The law in this area is increasingly incapable of accommodating any expansion in the scope of freely permitted acts, even where such expansion may be an appropriate response to changes in social and technological conditions. In this article, the causes of this problem are briefly canvassed and a number of potential solutions are noted. It is suggested that one such solution – the adoption of an open, factor-based model similar to s 107 of the United States’ Copyright Act – has not received the serious attention it deserves. The fair use paradigm has generally been dismissed as excessively unpredictable, contrary to international law and/or culturally alien. Drawing on recent fair use scholarship, it is argued here that these disadvantages are over-stated and that the potential for the development of a European fair use model merits investigation.

Dezentrale selbstorganisierte Grobplanung von Intralogistiksystemen mit Hilfe eines Software-Agentensystems

In diesem Beitrag wird eine dezentral aufgebaute und auf Selbstorganisation basierende Methodik zur Grobplanung von Intralogistiksystemen thematisiert. Diese Methodik sieht eine Kombination des Wissenschaftsgebiets der Agentensysteme aus der Informatik mit der Materialflussplanung vor. Dieser Artikel leistet somit einen Beitrag für die Entwicklung eines intelligenten, rechnergestützten Assistenzsystems zur Planung intralogistischer Systeme.

The pollen tube: a soft shell with a hard core

Plant cell expansion is controlled by a fine-tuned balance between intracellular turgor pressure, cell wall loosening and cell wall biosynthesis. To understand these processes, it is important to gain in-depth knowledge of cell wall mechanics. Pollen tubes are tip-growing cells that provide an ideal system to study mechanical properties at the single cell level. With the available approaches it was not easy to measure important mechanical parameters of pollen tubes, such as the elasticity of the cell wall. We used a cellular force microscope (CFM) to measure the apparent stiffness of lily pollen tubes. In combination with a mechanical model based on the finite element method (FEM), this allowed us to calculate turgor pressure and cell wall elasticity, which we found to be around 0.3 MPa and 20–90 MPa, respectively. Furthermore, and in contrast to previous reports, we showed that the difference in stiffness between the pollen tube tip and the shank can be explained solely by the geometry of the pollen tube. CFM, in combination with an FEM-based model, provides a powerful method to evaluate important mechanical parameters of single, growing cells. Our findings indicate that the cell wall of growing pollen tubes has mechanical properties similar to rubber. This suggests that a fully turgid pollen tube is a relatively stiff, yet flexible cell that can react very quickly to obstacles or attractants by adjusting the direction of growth on its way through the female transmitting tissue.

Substituting Wet Distillers Grains or Condensed Distillers Solubles for Corn Grain in Finishing Diets for Yearling Heifers

A feeding trial was conducted with 790-lb yearling heifers fed an average of 121 days to evaluate replacing cracked corn and supplemental urea with wet distillers grains or condensed distillers solubles. Wet distillers grains were evaluated at 16%, 28% and 40% of diet dry matter. Condensed distillers solubles were added at 6.5% of diet dry matter. Control diets were supplemented with urea or a combination of urea and soybean meal. Feeding 16% wet distillers grains or condensed distillers solubles increased gain of heifers compared with those fed the control urea diet. Increasing the amount of wet distillers grains tended to decrease feed intake and reduce gain. The calculated apparent net energy based on gain of the heifers was greatest for the heifers fed 16% wet distillers grains. The apparent energy of the wet distillers grains declined as the quantity fed was increased. The calculated net energy values were 1.09 and 1.35 Mcal/lb of dry matter for the average of the three concentrations of wet distillers grains and condensed distillers solubles. These results confirm the high energy values of wet distillers grains relative to cracked corn as observed in a previous steer feeding trial.

Gründungsausbildung und Gründungsabsicht: eine empirische Untersuchung an der TU Dortmund

Für das wirtschaftliche Wachstum und die Innovationskraft einer Volkswirtschaft sind junge Unternehmen von herausragender Bedeutung. Ein wichtiges Ziel von Politik und Wirtschaft muss folglich die Sensibilisierung und Förderung potenzieller Gründer sein. Die vorliegende Untersuchung geht der Frage nach, ob eine universitäre Gründungsausbildung die Gründungsabsicht von Studierenden positiv beeinflussen kann. Aufbauend auf dem intentionsbasierten Modell von Krueger /Carsrud (1993) wurden im Rahmen einer Befragung an der TU Dortmund 111 Studierende der Wirtschaftswissenschaften zu ihren Gründungsabsichten befragt. Es zeigte sich, dass die Gründungsabsicht durch den Besuch von Veranstaltungen zum Gründungsmanagement deutlich gesteigert werden kann. Für die deutsche Wirtschafts- und Bildungspolitik ergibt sich aus den Ergebnissen die Handlungsempfehlung, die universitäre Gründungsausbildung auszubauen und intensiv zu fördern.