Equilibration of Long Chain Polymer Melts in Computer Simulations

Several methods for preparing well equilibrated melts of long chains polymers are studied. We show that the standard method in which one starts with an ensemble of chains with the correct end-to-end distance arranged randomly in the simulation cell and introduces the excluded volume rapidly, leads to deformation on short length scales. This deformation is strongest for long chains and relaxes only after the chains have moved their own size. Two methods are shown to overcome this local deformation of the chains. One method is to first pre-pack the Gaussian chains, which reduces the density fluctuations in the system, followed by a gradual introduction of the excluded volume. The second method is a double-pivot algorithm in which new bonds are formed across a pair of chains, creating two new chains each substantially different from the original. We demonstrate the effectiveness of these methods for a linear bead spring polymer model with both zero and nonzero bending stiffness, however the methods are applicable to more complex architectures such as branched and star polymer.Comment: 12 pages, 9 figure

Survey of Energy Harvesting Technologies for Wireless Sensor Networks

Energy harvesting (EH) technologies could lead to self-sustaining wireless sensor networks (WSNs) which are set to be a key technology in Industry 4.0. There are numerous methods for small-scale EH but these methods differ greatly in their environmental applicability, energy conversion characteristics, and physical form which makes choosing a suitable EH method for a particular WSN application challenging due to the specific application-dependency. Furthermore, the choice of EH technology is intrinsically linked to non-trivial decisions on energy storage technologies and combinatorial architectures for a given WSN application. In this paper we survey the current state of EH technology for small-scale WSNs in terms of EH methods, energy storage technologies, and EH system architectures for combining methods and storage including multi-source and multi-storage architectures, as well as highlighting a number of other optimisation considerations. This work is intended to provide an introduction to EH technologies in terms of their general working principle, application potential, and other implementation considerations with the aim of accelerating the development of sustainable WSN applications in industry

Integrated aerodynamic-structural design of a forward-swept transport wing

The introduction of composite materials is having a profound effect on aircraft design. Since these materials permit the designer to tailor material properties to improve structural, aerodynamic and acoustic performance, they require an integrated multidisciplinary design process. Futhermore, because of the complexity of the design process, numerical optimization methods are required. The utilization of integrated multidisciplinary design procedures for improving aircraft design is not currently feasible because of software coordination problems and the enormous computational burden. Even with the expected rapid growth of supercomputers and parallel architectures, these tasks will not be practical without the development of efficient methods for cross-disciplinary sensitivities and efficient optimization procedures. The present research is part of an on-going effort which is focused on the processes of simultaneous aerodynamic and structural wing design as a prototype for design integration. A sequence of integrated wing design procedures has been developed in order to investigate various aspects of the design process

Automated Design of Neural Network Architecture for Classification

This Ph.D. thesis deals with finding a good architecture of a neural network classifier. The focus is on methods to improve the performance of existing architectures (i.e. architectures that are initialised by a good academic guess) and automatically building neural networks. An introduction to the Multi-Layer feed-forward neural network is given and the most essential properties for neural networks; there ability to learn from examples is discussion. Topics like traning and generalisation are treated in more explicit. On the basic of this dissuscion methods for finding a good architecture of the network described. This includes methods like; Early stopping, Cross validation, Regularisation, Pruning and various constructions algorithms (methods that successively builds a network). New ideas of combining units with different types of transfer functions like radial basis functions and sigmoid or threshold functions led to the development of a new construction algorithm for classification. The algorithm called "GLOCAL" is fully described. Results from these experiments real life data from a Synthetic Aperture Radar (SAR) are provided.The thesis was written so people from the industry and graduate students who are interested in neural networks hopeful would find it useful.Key words: Neural networks, Architectures, Training, Generalisation deductive and construction algorithms

Learning Deep Latent Spaces for Multi-Label Classification

Multi-label classification is a practical yet challenging task in machine learning related fields, since it requires the prediction of more than one label category for each input instance. We propose a novel deep neural networks (DNN) based model, Canonical Correlated AutoEncoder (C2AE), for solving this task. Aiming at better relating feature and label domain data for improved classification, we uniquely perform joint feature and label embedding by deriving a deep latent space, followed by the introduction of label-correlation sensitive loss function for recovering the predicted label outputs. Our C2AE is achieved by integrating the DNN architectures of canonical correlation analysis and autoencoder, which allows end-to-end learning and prediction with the ability to exploit label dependency. Moreover, our C2AE can be easily extended to address the learning problem with missing labels. Our experiments on multiple datasets with different scales confirm the effectiveness and robustness of our proposed method, which is shown to perform favorably against state-of-the-art methods for multi-label classification.Comment: published in AAAI-201