The phase diagram of water at negative pressures: Virtual ices

The phase diagram of water at negative pressures as obtained from computer simulations for two models of water, TIP4P/2005 and TIP5P is presented. Several solid structures with lower densities than ice Ih, so-called virtual ices, were considered as possible candidates to occupy the negative pressure region of the phase diagram of water. In particular the empty hydrate structures sI, sII, and sH and another, recently proposed, low-density ice structure. The relative stabilities of these structures at 0 K was determined using empirical water potentials and density functional theory calculations. By performing free energy calculations and Gibbs-Duhem integration the phase diagram of TIP4P/2005 was determined at negative pressures. The empty hydrates sII and sH appear to be the stable solid phases of water at negative pressures. The phase boundary between ice Ih and sII clathrate occurs at moderate negative pressures, while at large negative pressures sH becomes the most stable phase. This behavior is in reasonable agreement with what is observed in density functional theory calculations.

Using Mesh-Geometry Relationships to Transfer Analysis Models between CAE Tools

Integrating analysis and design models is a complex task due to differences between the models and the architectures of the toolsets used to create them. This complexity is increased with the use of many different tools for specific tasks during an analysis process. In this work various design and analysis models are linked throughout the design lifecycle, allowing them to be moved between packages in a way not currently available. Three technologies named Cellular Modeling, Virtual Topology and Equivalencing are combined to demonstrate how different finite element meshes generated on abstract analysis geometries can be linked to their original geometry. Establishing the equivalence relationships between models enables analysts to utilize multiple packages for specialist tasks without worrying about compatibility issues or rework.

Automated Methods for Virtual Maintainability & Aerospace Maintenance Planning

Abstract. Modern business practices in engineering are increasingly turning to post manufacture service provision in an attempt to generate additional revenue streams and ensure commercial sustainability. Maintainability has always been a consideration during the design process but in the past it has been generally considered to be of tertiary importance behind manufacturability and primary product function in terms of design priorities. The need to draw whole life considerations into concurrent engineering (CE) practice has encouraged companies to address issues such as maintenance, earlier in the design process giving equal importance to all aspects of the product lifecycle. The consideration of design for maintainability (DFM) early in the design process has the potential to significantly reduce maintenance costs, and improve overall running efficiencies as well as safety levels. However a lack of simulation tools still hinders the adaptation of CE to include practical elements of design and therefore further research is required to develop methods by which ‘hands on’ activities such as maintenance can be fully assessed and optimised as concepts develop. Virtual Reality (VR) has the potential to address this issue but the application of these traditionally high cost systems can require complex infrastructure and their use has typically focused on aesthetic aspects of mature designs. This paper examines the application of cost effective VR technology to the rapid assessment of aircraft interior inspection during conceptual design. It focuses on the integration of VR hardware with a typical desktop engineering system and examines the challenges with data transfer, graphics quality and the development of practical user functions within the VR environment. Conclusions drawn to date indicate that the system has the potential to improve maintenance planning through the provision of a usable environment for inspection which is available as soon as preliminary structural models are generated as part of the conceptual design process. Challenges still exist in the efficient transfer of data between the CAD and VR environments as well as the quantification of any benefits that result from the proposed approach. The result of this research will help to improve product maintainability, reduce product development cycle times and lower maintenance costs.

Managing Equivalent Representations of Design and Analysis Models

There is a requirement for better integration between design and analysis tools, which is difficult due to their different objectives, separate data representations and workflows. Currently, substantial effort is required to produce a suitable analysis model from design geometry. Robust links are required between these different representations to enable analysis attributes to be transferred between different design and analysis packages for models at various levels of fidelity.

This paper describes a novel approach for integrating design and analysis models by identifying and managing the relationships between the different representations. Three key technologies, Cellular Modeling, Virtual Topology and Equivalencing, have been employed to achieve effective simulation model management. These technologies and their implementation are discussed in detail. Prototype automated tools are introduced demonstrating how multiple simulation models can be linked and maintained to facilitate seamless integration throughout the design cycle.

Using mesh-geometry relationships to transfer analysis models between CAE tools

Integrating analysis and design models is a complex task due to differences between the models and the architectures of the toolsets used to create them. This complexity is increased with the use of many different tools for specific tasks using an analysis process. In this work various design and analysis models are linked throughout the design lifecycle, allowing them to be moved between packages in a way not currently available. Three technologies named Cellular Modeling, Virtual Topology and Equivalencing are combined to demonstrate how different finite element meshes generated on abstract analysis geometries can be linked to their original geometry. Cellular models allow interfaces between adjacent cells to be extracted and exploited to transfer analysis attributes such as mesh associativity or boundary conditions between equivalent model representations. Virtual Topology descriptions used for geometry clean-up operations are explicitly stored so they can be reused by downstream applications. Establishing the equivalence relationships between models enables analysts to utilize multiple packages for specialist tasks without worrying about compatibility issues or substantial rework.

Virtual metrology enabled early stage prediction for enhanced control of multi-stage fabrication processes

Semiconductor fabrication involves several sequential processing steps with the result that critical production variables are often affected by a superposition of affects over multiple steps. In this paper a Virtual Metrology (VM) system for early stage measurement of such variables is presented; the VM system seeks to express the contribution to the output variability that is due to a defined observable part of the production line. The outputs of the processed system may be used for process monitoring and control purposes. A second contribution of this work is the introduction of Elastic Nets, a regularization and variable selection technique for the modelling of highly-correlated datasets, as a technique for the development of VM models. Elastic Nets and the proposed VM system are illustrated using real data from a multi-stage etch process used in the fabrication of disk drive read/write heads. © 2013 IEEE.

MSC-clustering and forward stepwise regression for virtual metrology in highly correlated input spaces

Increasingly semiconductor manufacturers are exploring opportunities for virtual metrology (VM) enabled process monitoring and control as a means of reducing non-value added metrology and achieving ever more demanding wafer fabrication tolerances. However, developing robust, reliable and interpretable VM models can be very challenging due to the highly correlated input space often associated with the underpinning data sets. A particularly pertinent example is etch rate prediction of plasma etch processes from multichannel optical emission spectroscopy data. This paper proposes a novel input-clustering based forward stepwise regression methodology for VM model building in such highly correlated input spaces. Max Separation Clustering (MSC) is employed as a pre-processing step to identify a reduced srt of well-conditioned, representative variables that can then be used as inputs to state-of-the-art model building techniques such as Forward Selection Regression (FSR), Ridge regression, LASSO and Forward Selection Ridge Regression (FCRR). The methodology is validated on a benchmark semiconductor plasma etch dataset and the results obtained are compared with those achieved when the state-of-art approaches are applied directly to the data without the MSC pre-processing step. Significant performance improvements are observed when MSC is combined with FSR (13%) and FSRR (8.5%), but not with Ridge Regression (-1%) or LASSO (-32%). The optimal VM results are obtained using the MSC-FSR and MSC-FSRR generated models. © 2012 IEEE.

On Regression Methods for Virtual Metrology in Semiconductor Manufacturing

Virtual metrology (VM) aims to predict metrology values using sensor data from production equipment and physical metrology values of preceding samples. VM is a promising technology for the semiconductor manufacturing industry as it can reduce the frequency of in-line metrology operations and provide supportive information for other operations such as fault detection, predictive maintenance and run-to-run control. The prediction models for VM can be from a large variety of linear and nonlinear regression methods and the selection of a proper regression method for a specific VM problem is not straightforward, especially when the candidate predictor set is of high dimension, correlated and noisy. Using process data from a benchmark semiconductor manufacturing process, this paper evaluates the performance of four typical regression methods for VM: multiple linear regression (MLR), least absolute shrinkage and selection operator (LASSO), neural networks (NN) and Gaussian process regression (GPR). It is observed that GPR performs the best among the four methods and that, remarkably, the performance of linear regression approaches that of GPR as the subset of selected input variables is increased. The observed competitiveness of high-dimensional linear regression models, which does not hold true in general, is explained in the context of extreme learning machines and functional link neural networks.

Polarization spectral synthesis for Type Ia supernova explosion models

We present a Monte Carlo radiative transfer technique for calculating synthetic spectropolarimetry for multidimensional supernova explosion models. The approach utilizes 'virtual-packets' that are generated during the propagation of the Monte Carlo quanta and used to compute synthetic observables for specific observer orientations. Compared to extracting synthetic observables by direct binning of emergent Monte Carlo quanta, this virtual-packet approach leads to a substantial reduction in the Monte Carlo noise. This is not only vital for calculating synthetic spectropolarimetry (since the degree of polarization is typically very small) but also useful for calculations of light curves and spectra. We first validate our approach via application of an idealized test code to simple geometries. We then describe its implementation in the Monte Carlo radiative transfer code ARTIS and present test calculations for simple models for Type Ia supernovae. Specifically, we use the well-known one-dimensional W7 model to verify that our scheme can accurately recover zero polarization from a spherical model, and to demonstrate the reduction in Monte Carlo noise compared to a simple packet-binning approach. To investigate the impact of aspherical ejecta on the polarization spectra, we then use ARTIS to calculate synthetic observables for prolate and oblate ellipsoidal models with Type Ia supernova compositions.

Extreme learning machines for virtual metrology and etch rate prediction

Virtual metrology (VM) aims to predict metrology values using sensor data from production equipment and physical metrology values of preceding samples. VM is a promising technology for the semiconductor manufacturing industry as it can reduce the frequency of in-line metrology operations and provide supportive information for other operations such as fault detection, predictive maintenance and run-to-run control. Methods with minimal user intervention are required to perform VM in a real-time industrial process. In this paper we propose extreme learning machines (ELM) as a competitive alternative to popular methods like lasso and ridge regression for developing VM models. In addition, we propose a new way to choose the hidden layer weights of ELMs that leads to an improvement in its prediction performance.

Virtual Ergonomics and Time optimization of a Railway Coach Assembly Line

The recent drive towards timely multiple product realizations has caused most Manufacturing Enterprises (MEs) to develop more flexible assembly lines supported by better manufacturing design and planning. The aim of this work is to develop a methodology which will support feasibility analyses of assembly tasks, in order to simulate either a manufacturing process or a single work-cell in which digital human models act. The methodology has been applied in a case study relating to a railway industry. Simulations were applied to help standardize the methodology and suggest new solutions for realizing ergonomic and efficient assembly processes in the railway industry.

Remuneration and tariffs in the context of virtual power players

Power systems have been through deep changes in recent years, namely with the operation of competitive electricity markets in the scope and the increasingly intensive use of renewable energy sources and distributed generation. This requires new business models able to cope with the new opportunities that have emerged. Virtual Power Players (VPPs) are a new player type which allows aggregating a diversity of players (Distributed Generation (DG), Storage Agents (SA), Electrical Vehicles, (V2G) and consumers), to facilitate their participation in the electricity markets and to provide a set of new services promoting generation and consumption efficiency, while improving players` benefits. A major task of VPPs is the remuneration of generation and services (maintenance, market operation costs and energy reserves), as well as charging energy consumption. This paper proposes a model to implement fair and strategic remuneration and tariff methodologies, able to allow efficient VPP operation and VPP goals accomplishment in the scope of electricity markets.

Analysis of the domain of applicability of an algorithm for a resources system selection problem for Distributed/Agile/Virtual Enterprises integration

The process of resources systems selection takes an important part in Distributed/Agile/Virtual Enterprises (D/A/V Es) integration. However, the resources systems selection is still a difficult matter to solve in a D/A/VE, as it is pointed out in this paper. Globally, we can say that the selection problem has been equated from different aspects, originating different kinds of models/algorithms to solve it. In order to assist the development of a web prototype tool (broker tool), intelligent and flexible, that integrates all the selection model activities and tools, and with the capacity to adequate to each D/A/V E project or instance (this is the major goal of our final project), we intend in this paper to show: a formulation of a kind of resources selection problem and the limitations of the algorithms proposed to solve it. We formulate a particular case of the problem as an integer programming, which is solved using simplex and branch and bound algorithms, and identify their performance limitations (in terms of processing time) based on simulation results. These limitations depend on the number of processing tasks and on the number of pre-selected resources per processing tasks, defining the domain of applicability of the algorithms for the problem studied. The limitations detected open the necessity of the application of other kind of algorithms (approximate solution algorithms) outside the domain of applicability founded for the algorithms simulated. However, for a broker tool it is very important the knowledge of algorithms limitations, in order to, based on problem features, develop and select the most suitable algorithm that guarantees a good performance.

Intelligent Remuneration and Tariffs for Virtual Power Players

Power systems have been through deep changes in recent years, namely due to the operation of competitive electricity markets in the scope the increasingly intensive use of renewable energy sources and distributed generation. This requires new business models able to cope with the new opportunities that have emerged. Virtual Power Players (VPPs) are a new type of player that allows aggregating a diversity of players (Distributed Generation (DG), Storage Agents (SA), Electrical Vehicles (V2G) and consumers) to facilitate their participation in the electricity markets and to provide a set of new services promoting generation and consumption efficiency, while improving players’ benefits. A major task of VPPs is the remuneration of generation and services (maintenance, market operation costs and energy reserves), as well as charging energy consumption. This paper proposes a model to implement fair and strategic remuneration and tariff methodologies, able to allow efficient VPP operation and VPP goals accomplishment in the scope of electricity markets.

Gestão de Recursos Energéticos para Apoio à Operação dos Virtual Power Players

A liberalização dos mercados de energia elétrica e a crescente integração dos recursos energéticos distribuídos nas redes de distribuição, nomeadamente as unidades de produção distribuída, os sistemas de controlo de cargas através dos programas de demand response, os sistemas de armazenamento e os veículos elétricos, representaram uma evolução no paradigma de operação e gestão dos sistemas elétricos. Este novo paradigma de operação impõe o desenvolvimento de novas metodologias de gestão e controlo que permitam a integração de todas as novas tecnologias de forma eficiente e sustentável. O principal contributo deste trabalho reside no desenvolvimento de metodologias para a gestão de recursos energéticos no contexto de redes inteligentes, que contemplam três horizontes temporais distintos (24 horas, 1 hora e 5 minutos). As metodologias consideram os escalonamentos anteriores assim como as previsões atualizadas de forma a melhorar o desempenho total do sistema e consequentemente aumentar a rentabilidade dos agentes agregadores. As metodologias propostas foram integradas numa ferramenta de simulação, que servirá de apoio à decisão de uma entidade agregadora designada por virtual power player. Ao nível das metodologias desenvolvidas são propostos três algoritmos de gestão distintos, nomeadamente para a segunda (1 hora) e terceira fase (5 minutos) da ferramenta de gestão, diferenciados pela influência que os períodos antecedentes e seguintes têm no período em escalonamento. Outro aspeto relevante apresentado neste documento é o teste e a validação dos modelos propostos numa plataforma de simulação comercial. Para além das metodologias propostas, a aplicação permitiu validar os modelos dos equipamentos considerados, nomeadamente, ao nível das redes de distribuição e dos recursos energéticos distribuidos. Nesta dissertação são apresentados três casos de estudos, cada um com diferentes cenários referentes a cenários de operação futuros. Estes casos de estudos são importantes para verificar a viabilidade da implementação das metodologias e algoritmos propostos. Adicionalmente são apresentadas comparações das metodologias propostas relativamente aos resultados obtidos, complexidade de gestão em ambiente de simulação para as diferentes fases da ferramenta proposta e os benefícios e inconvenientes no uso da ferramenta proposta.