24 resultados para computational materials science and simulation
em University of Queensland eSpace - Australia
Resumo:
Computational Methods for Coupled Problems in Science and Engineering
Resumo:
Application of novel analytical and investigative methods such as fluorescence in situ hybridization, confocal laser scanning microscopy (CLSM), microelectrodes and advanced numerical simulation has led to new insights into micro-and macroscopic processes in bioreactors. However, the question is still open whether or not these new findings and the subsequent gain of knowledge are of significant practical relevance and if so, where and how. To find suitable answers it is necessary for engineers to know what can be expected by applying these modern analytical tools. Similarly, scientists could benefit significantly from an intensive dialogue with engineers in order to find out about practical problems and conditions existing in wastewater treatment systems. In this paper, an attempt is made to help bridge the gap between science and engineering in biological wastewater treatment. We provide an overview of recently developed methods in microbiology and in mathematical modeling and numerical simulation. A questionnaire is presented which may help generate a platform from which further technical and scientific developments can be accomplished. Both the paper and the questionnaire are aimed at encouraging scientists and engineers to enter into an intensive, mutually beneficial dialogue. (C) 2002 Elsevier Science Ltd. All rights reserved.
Resumo:
The structure and infrastructure of the Mexican technical literature was determined. A representative database of technical articles was extracted from the Science Citation Index for the year 2002, with each article containing at least one author with a Mexican address. Many different manual and statistical clustering methods were used to identify the structure of the technical literature (especially the science and technology core competencies). One of the pervasive technical topics identified from the clustering, thin films research, was analyzed further using bibliometrics, in order to identify the infrastructure of this technology. Published by Elsevier Inc.
Resumo:
Fuzzy data has grown to be an important factor in data mining. Whenever uncertainty exists, simulation can be used as a model. Simulation is very flexible, although it can involve significant levels of computation. This article discusses fuzzy decision-making using the grey related analysis method. Fuzzy models are expected to better reflect decision-making uncertainty, at some cost in accuracy relative to crisp models. Monte Carlo simulation is used to incorporate experimental levels of uncertainty into the data and to measure the impact of fuzzy decision tree models using categorical data. Results are compared with decision tree models based on crisp continuous data.
Resumo:
The concentration of ammonium-nitrogen (NH4+-N) frequently exceeds that of nitrate-N (NO3--N) in Australian wet tropical sugarcane soils. The amount of mineral N in soil is the net result of complex processes in the field, so the objective of this experiment was to investigate nitrification and ammonification in these soils under laboratory conditions. Aerobic and saturated incubations were performed for 1 week on 2 wet tropical soils. Net NO3--N increased significantly in both soils during both types of incubation. A second series of aerobic incubations of these soils treated with NH4+-N and inoculated with subtropical nitrifying soils was conducted for 48 days. Nitrification in the wet tropical soils was not significantly affected by inoculation, and virtually all added N was nitrified during the incubation period. Mineral N behaviour of the 48-day incubations was captured with the APSIM-SoilN model. As nitrification proceeded under laboratory conditions and was able to be captured by the model, it was concluded that nitrification processes in the wet tropical soils studied were not different from those in the subtropical soils. Processes that remove NO3- from the soil, such as leaching and denitrification, may therefore be important factors affecting the proportions of NH4+-N and NO3--N measured under field conditions.
Resumo:
Discrete stochastic simulations are a powerful tool for understanding the dynamics of chemical kinetics when there are small-to-moderate numbers of certain molecular species. In this paper we introduce delays into the stochastic simulation algorithm, thus mimicking delays associated with transcription and translation. We then show that this process may well explain more faithfully than continuous deterministic models the observed sustained oscillations in expression levels of hes1 mRNA and Hes1 protein.
Resumo:
We present results of the reconstruction of a saccharose-based activated carbon (CS1000a) using hybrid reverse Monte Carlo (HRMC) simulation, recently proposed by Opletal et al. [1]. Interaction between carbon atoms in the simulation is modeled by an environment dependent interaction potential (EDIP) [2,3]. The reconstructed structure shows predominance of sp(2) over sp bonding, while a significant proportion of sp(3) hybrid bonding is also observed. We also calculated a ring distribution and geometrical pore size distribution of the model developed. The latter is compared with that obtained from argon adsorption at 87 K using our recently proposed characterization procedure [4], the finite wall thickness (FWT) model. Further, we determine self-diffusivities of argon and nitrogen in the constructed carbon as functions of loading. It is found that while there is a maximum in the diffusivity with respect to loading, as previously observed by Pikunic et al. [5], diffusivities in the present work are 10 times larger than those obtained in the prior work, consistent with the larger pore size as well as higher porosity of the activated saccharose carbon studied here.
Resumo:
To foster ongoing international cooperation beyond ACES (APEC Cooperation for Earthquake Simulation) on the simulation of solid earth phenomena, agreement was reached to work towards establishment of a frontier international research institute for simulating the solid earth: iSERVO = International Solid Earth Research Virtual Observatory institute (http://www.iservo.edu.au). This paper outlines a key Australian contribution towards the iSERVO institute seed project, this is the construction of: (1) a typical intraplate fault system model using practical fault system data of South Australia (i.e., SA interacting fault model), which includes data management and editing, geometrical modeling and mesh generation; and (2) a finite-element based software tool, which is built on our long-term and ongoing effort to develop the R-minimum strategy based finite-element computational algorithm and software tool for modelling three-dimensional nonlinear frictional contact behavior between multiple deformable bodies with the arbitrarily-shaped contact element strategy. A numerical simulation of the SA fault system is carried out using this software tool to demonstrate its capability and our efforts towards seeding the iSERVO Institute.
Resumo:
Philosophers expend considerable effort on the analysis of concepts, but the value of such work is not widely appreciated. This paper principally analyses some arguments, beliefs, and presuppositions about the nature of design and the relations between design and science common in the literature to illustrate this point, and to contribute to the foundations of design theory.