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Grant
Agency: European Commission | Branch: FP7 | Program: MC-ITN | Phase: FP7-PEOPLE-2013-ITN | Award Amount: 4.05M | Year: 2014

Dry, wet and multiphase particulate materials constitute over 75% of raw material feedstock to industry. Despite their significance, many industrial particulate processes display unpredictable behaviour due to both their multiscale nature and the coexistence of different phases: this leads to undesirable losses in resources, energy, money and time. Considerable progress can be achieved using multiscale analysis and modelling to provide both visual and quantitative details of the dynamics of multiphase particulate systems. However, immature predictive capabilities, together with a lack of expertise and education in this developing field, hinder the adoption of these technologies. To address this skills gap and to initiate further advances in the field, it is crucial that a coordinated and intersectoral approach (combining different industrial sectors and fields of science) is taken, broadening the portfolio of skills currently retained within the EU research community. The T-MAPPP network brings together 15 leading European organizations in their respective fields, including 10 industrial companies (4 of which are SMEs) and stakeholders ranging from agriculture/food processing, consumer/personal care, chemicals/pharmaceuticals to software and equipment manufacture, to foster and develop a pool of ESRs and ERs who can transform multiscale analysis and modelling from an exciting scientific tool into a widely adopted industrial method. Through the delivery of sound scientific training and exposure to both Academic and Industrial environments, each of the 15 fellows recruited will be equipped with the multidisciplinary and transferable skills needed not only to initiate further advances in the field, but to become future leaders in Multiscale Analysis (MA) of multiphase Particulate Processes (PPP) and systems. Such skills are Europe-wide in demand, making each fellow a highly desirable candidate for employment and very mobile across the different career domains.


Benvenuti L.,Johannes Kepler University | Kloss C.,DCS Computing GmbH | Pirker S.,Johannes Kepler University
Powder Technology | Year: 2016

In Discrete Element Method (DEM) simulations, particle-particle contact laws determine the macroscopic simulation results. Particle-based contact laws, in turn, commonly rely on semi-empirical parameters which are difficult to obtain by direct microscopic measurements. In this study, we present a method for the identification of DEM simulation parameters that uses artificial neural networks to link macroscopic experimental results to microscopic numerical parameters. In the first step, a series of DEM simulations with varying simulation parameters is used to train a feed-forward artificial neural network by backward-propagation reinforcement. In the second step, this artificial neural network is used to predict the macroscopic ensemble behaviour in relation to additional sets of particle-based simulation parameters. Thus, a comprehensive database is obtained which links particle-based simulation parameters to specific macroscopic bulk behaviours of the ensemble. The trained artificial neural network is able to predict the behaviours of additional sets of input parameters accurately and highly efficiently. Furthermore, this method can be used generically to identify DEM material parameters. For each set of calibration experiments, the neural network needs to be trained only once. After the training, the neural network provides a generic link between the macroscopic experimental results and the microscopic DEM simulation parameters. Based on these experiments, the DEM simulation parameters of any given non-cohesive granular material can be identified. © 2016 Elsevier B.V.


Goniva C.,Johannes Kepler University | Goniva C.,DCS Computing GmbH | Kloss C.,Johannes Kepler University | Kloss C.,DCS Computing GmbH | And 3 more authors.
Particuology | Year: 2012

In this paper we study the effect of rolling friction on the dynamics in a single spout fluidized bed using Discrete Element Method (DEM) coupled to Computational Fluid Dynamics (CFD). In a first step we neglect rolling friction and show that the results delivered by the open source CFD-DEM framework applied in this study agree with previous simulations documented in literature. In a second step we include a rolling friction sub-model in order to investigate the effect of particle non-sphericity. The influence of particle-particle as well as particle-wall rolling friction on the flow in single spout fluidized bed is studied separately. Adequate rolling friction model parameters are obtained using first principle DEM simulations and data from literature. Finally, we demonstrate the importance of correct modelling of rolling friction for coupled CFD-DEM simulations of spout fluidized beds. We show that simulation results can be improved significantly when applying a rolling friction model, and that experimental data from literature obtained with Positron Emission Particle Tracking (PEPT) technique can be satisfactorily reproduced. © 2012 Chinese Society of Particuology and Institute of Process Engineering, Chinese Academy of Sciences.


Blais B.,Ecole Polytechnique de Montréal | Lassaigne M.,Ecole Polytechnique de Montréal | Goniva C.,DCS Computing GmbH | Fradette L.,Ecole Polytechnique de Montréal | Bertrand F.,Ecole Polytechnique de Montréal
Journal of Computational Physics | Year: 2016

Although viscous solid-liquid mixing plays a key role in the industry, the vast majority of the literature on the mixing of suspensions is centered around the turbulent regime of operation. However, the laminar and transitional regimes face considerable challenges. In particular, it is important to know the minimum impeller speed (Njs) that guarantees the suspension of all particles. In addition, local information on the flow patterns is necessary to evaluate the quality of mixing and identify the presence of dead zones. Multiphase computational fluid dynamics (CFD) is a powerful tool that can be used to gain insight into local and macroscopic properties of mixing processes. Among the variety of numerical models available in the literature, which are reviewed in this work, unresolved CFD-DEM, which combines CFD for the fluid phase with the discrete element method (DEM) for the solid particles, is an interesting approach due to its accurate prediction of the granular dynamics and its capability to simulate large amounts of particles. In this work, the unresolved CFD-DEM method is extended to viscous solid-liquid flows. Different solid-liquid momentum coupling strategies, along with their stability criteria, are investigated and their accuracies are compared. Furthermore, it is shown that an additional sub-grid viscosity model is necessary to ensure the correct rheology of the suspensions. The proposed model is used to study solid-liquid mixing in a stirred tank equipped with a pitched blade turbine. It is validated qualitatively by comparing the particle distribution against experimental observations, and quantitatively by compairing the fraction of suspended solids with results obtained via the pressure gauge technique. © 2016 Elsevier Inc.


Aigner A.,Johannes Kepler University | Schneiderbauer S.,Johannes Kepler University | Kloss C.,Johannes Kepler University | Kloss C.,DCS Computing GmbH | Pirker S.,Johannes Kepler University
Particle-Based Methods III: Fundamentals and Applications - Proceedings of the 3rd International Conference on Particle-based MethodsFundamentals and Applications, Particles 2013 | Year: 2013

The flow behaviour of very dense particle regimes such as in a moving or fluidized bed is highly dependent on the inter-particle friction, which can be characterized by the coefficient of friction. Since only rough guide values for common material pairs are available in the literature, we determine the exact parameters by fitting numerical simulations to experimental measurements of a simplified Jenike shear tester [1, 2]. The open-source discrete-element-method code LIGGGHTS [3] is used to model the shear cell, which is built of triangulated meshes. In order to preload the bulk solid in the shear cell with a constant principal stress, the movement of these walls is controlled by a prescribed load. A comprehensive sensitivity study shows that the results are nearly insensitive to the spatial dimensions of the shear tester as well as all other material properties. Therefore, this set-up is applicable to determine the coefficient of friction. Furthermore, we calculate the coefficient of friction of glass beads showing very good agreement with literature data and in-house experiments. Hence, this procedure can be used to deduce material parameters for the numerical simulation of dense granular flows.


Municchi F.,University of Graz | Goniva C.,DCS Computing GmbH | Radl S.,University of Graz
Computer Physics Communications | Year: 2016

CPPPO is a compilation of parallel data processing routines developed with the aim to create a library for "scale bridging" (i.e. connecting different scales by mean of closure models) in a multi-scale approach. CPPPO features a number of parallel filtering algorithms designed for use with structured and unstructured Eulerian meshes, as well as Lagrangian data sets. In addition, data can be processed on the fly, allowing the collection of relevant statistics without saving individual snapshots of the simulation state. Our library is provided with an interface to the widely-used CFD solver OpenFOAM®, and can be easily connected to any other software package via interface modules. Also, we introduce a novel, extremely efficient approach to parallel data filtering, and show that our algorithms scale super-linearly on multi-core clusters. Furthermore, we provide a guideline for choosing the optimal Eulerian cell selection algorithm depending on the number of CPU cores used. Finally, we demonstrate the accuracy and the parallel scalability of CPPPO in a showcase focusing on heat and mass transfer from a dense bed of particles. Program summary: Program title: CPPPO. Catalogue identifier: AFAQ_v1_0. Program summary URL: http://cpc.cs.qub.ac.uk/summaries/AFAQ_v1_0.html Program obtainable from: CPC Program Library, Queen's University, Belfast, N. Ireland. Licensing provisions: GNU Lesser General Public License, version 3. No. of lines in distributed program, including test data, etc.: 1043965. No. of bytes in distributed program, including test data, etc.: 11053655. Distribution format: tar.gz. Programming language: C++, MPI, octave. Computer: Linux based clusters for HPC or workstations. Operating system: Linux based. Classification: 4.14, 6.5, 12. External routines: Qt5, hdf5-1.8.15, jsonlab, OpenFOAM/CFDEM, Octave/Matlab. Nature of problem: Development of closure models for momentum, species transport and heat transfer in fluid and fluid-particle systems using purely Eulerian or Euler-Lagrange simulators. Solution method: The CPPPO library contains routines to perform on-line (i.e., runtime) filtering and compute statistics on large parallel data sets. Running time: Performing a Favre averaging on a structured mesh of 1283 cells with a filter size of 643 cells using one Intel Xeon(R) E5-2650, requires approximately 4 h of computation. © 2016 Elsevier B.V.


Varga M.,Ac2t Research Gmbh | Goniva C.,Johannes Kepler University | Goniva C.,DCS Computing GmbH | Adam K.,Voestalpine AG | Badisch E.,Ac2t Research Gmbh
Tribology International | Year: 2013

Within this work, a combined experimental and numerical approach to fundamentally understand erosive wear in feed pipes was initiated. By experimental lab-scale testing, it was shown that erosion rates strongly depend on the material's properties and testing conditions. Steel wear was more pronounced at higher impact angle, whereas low impact angle was more critical for rubber. Lab-tests results distinguish from empirical erosion models because material dependent critical impact energies and fatigue phenomena cannot be considered there. A CFD-DEM approach was conducted for simulation of particulate flow in pipes. In addition, long term wear measurements were done to gain data of the wear progress. Although further validation and testing are necessary, very promising results on erosion prediction could be achieved. © 2013 Elsevier Ltd. All rights reserved.


Trademark
DCS Computing GmbH | Date: 2014-11-19

Computer software for use in computational modeling and simulation in the fields of Computational Fluid Dynamics (CFD), Discrete Element Method (DEM), Molecular Dynamics (MD), Smoothed Particle Hydrodynamics (SPH), matrix calculation, computational continuum mechanics and computational discrete mechanics; engineering software, namely, computational software for designing, modeling, simulating, and analyzing biological samples; computer software for real-time control and simulation of fluid flow involving particle dynamics, molecular dynamics, gas-solid interaction, chemical reactions, turbulence, heat, solid dynamics, electromagnetics for use in chemical, biological, food, minerals and mining, metallurgical, pharmaceutical and agricultural product and process engineering; computer hardware configured for use with engineering and mathematical software; computer software for use in computational modeling and simulation of fluid flow, granular flow, molecular dynamics, heat transfer, stress, and various other physical or chemical reactions effects, and used in conjunction with commercial computer-aided-design software packages, for use in chemical, biological, food, minerals and mining, metallurgical, pharmaceutical and agricultural product and process engineering; mesh generation software used to generate 3D unstructured meshes for use in computational fluid dynamic software and/or discrete element software; computer software used in analysis of thermochemical reactions for use in the fields of fluid dynamics, particle systems and coupled fluid-particle systems, applied chemical engineering, metallurgy, agricultural engineering, energy science, life science, combustion analysis; computer graphics software; computer software recorded on data media designed for use in construction and automated manufacturing (CAD/CAM); computer software for application and database integration; computer software software for use in computational modeling and simulation in the fields of fluid flow, granular flow, chemical reactions and heat transfer simulation; computer software that assists computers in deploying parallel applications and performing parallel computations; educational software featuring instruction in fluid flow, granular flow, chemical reactions and heat transfer; computers and computer monitors adapted to run or display the aforesaid software. Computer software manuals in the fields of fluid flow, granular flow, chemical reactions and heat transfer simulation; Downloadable electronic newsletters and pamphlets in the field of computer software. Educational, training and consultancy services in the form of lectures, tutorial sessions, workshops, correspondence courses, seminars and conferences relating to computing, fluid dynamics, simulation of particulate systems; Educational services, namely, providing online tutorial sessions in the field of computers, computer software, computer systems, business, business management and accounting; Educational and instructional services, namely, lectures, tutorial sessions, workshops correspondence courses, seminars and conferences in the fields of fluid flow, granular flow, chemical reactions and heat transfer simulation. Design and development of computer software; research and development in particle mechanics and discrete element modelling; consulting engineering services; installation, repair and upgrade of computer software; Application service provider (ASP) featuring software for use in computational modeling and simulation in the field of fluid flow, granular flow, chemical reactions and heat transfer; computer software consultation; computer software design for others; computer software design, computer programming, or maintenance of computer software; computer software development; consultancy in the field of software design; consultation services in the fields of selection, implementation and use of computer hardware and software systems for others; consulting services in the field of design, selection, implementation and use of computer hardware and software systems for others; customization of computer software; design of computer programs and software relating to aircraft; design, development and implementation of software; development of computer programs recorded on data media, namely, software designed for use in construction and automated manufacturing (CAD/CAM); installation of computer software; maintenance of computer software; rental of application software; rental of computers and software; software authoring; technical support services, namely, troubleshooting in the nature of diagnosing computer hardware problems via the use of software and troubleshooting in the nature of diagnosing software problems; up-dating of computer software; updating of computer software for others.


Trademark
DCS Computing GmbH | Date: 2014-11-19

Computer software for use in computational modeling and simulation in the fields of Computational Fluid Dynamics (CFD), Discrete Element Method (DEM), Molecular Dynamics (MD), Smoothed Particle Hydrodynamics (SPH), matrix calculation, computational continuum mechanics and computational discrete mechanics; engineering software, namely, computational software for designing, modeling, simulating, and analyzing biological samples; computer software for real-time control and simulation of fluid flow involving particle dynamics, molecular dynamics, gas-solid interaction, chemical reactions, turbulence, heat, solid dynamics, electromagnetics for use in chemical, biological, food, minerals and mining, metallurgical, pharmaceutical and agricultural product and process engineering; computer hardware configured for use with engineering and mathematical software; computer software for use in computational modeling and simulation of fluid flow, granular flow, molecular dynamics, heat transfer, stress, and various other physical or chemical reactions effects, and used in conjunction with commercial computer-aided-design software packages, for use in chemical, biological, food, minerals and mining, metallurgical, pharmaceutical and agricultural product and process engineering; mesh generation software used to generate 3D unstructured meshes for use in computational fluid dynamic software and/or discrete element software; computer software used in analysis of thermochemical reactions for use in the fields of fluid dynamics, particle systems and coupled fluid-particle systems, applied chemical engineering, metallurgy, agricultural engineering, energy science, life science, combustion analysis; computer graphics software; computer software recorded on data media designed for use in construction and automated manufacturing (CAD/CAM); computer software for application and database integration; computer software software for use in computational modeling and simulation in the fields of fluid flow, granular flow, chemical reactions and heat transfer simulation; computer software that assists computers in deploying parallel applications and performing parallel computations; educational software featuring instruction in fluid flow, granular flow, chemical reactions and heat transfer; computers and computer monitors adapted to run or display the aforesaid software. Computer software manuals in the fields of fluid flow, granular flow, chemical reactions and heat transfer simulation; downloadable electronic newsletters and pamphlets in the field of computer software. Educational, training and consultancy services in the form of lectures, tutorial sessions, workshops, correspondence courses, seminars and conferences relating to computing, fluid dynamics, simulation of particulate systems; Educational services, namely, providing online tutorial sessions in the field of computers, computer software, computer systems, business, business management and accounting; Educational and instructional services, namely, lectures, tutorial sessions, workshops correspondence courses, seminars and conferences in the fields of fluid flow, granular flow, chemical reactions and heat transfer simulation. Design and development of computer software; research and development in particle mechanics and discrete element modelling; consulting engineering services; installation, repair and upgrade of computer software; Application service provider (ASP) featuring software for use in computational modeling and simulation in the field of fluid flow, granular flow, chemical reactions and heat transfer; computer software consultation; computer software design for others; computer software design, computer programming, or maintenance of computer software; computer software development; consultancy in the field of software design; consultation services in the fields of selection, implementation and use of computer hardware and software systems for others; consulting services in the field of design, selection, implementation and use of computer hardware and software systems for others; customization of computer software; design of computer programs and software relating to aircraft; design, development and implementation of software; development of computer programs recorded on data media, namely, software designed for use in construction and automated manufacturing (CAD/CAM); installation of computer software; maintenance of computer software; rental of application software; rental of computers and software; software authoring; technical support services, namely, troubleshooting in the nature of diagnosing of computer hardware problems via the use of software and troubleshooting in the nature of diagnosing of software problems; up-dating of computer software; updating of computer software for others.


Grant
Agency: European Commission | Branch: FP7 | Program: CP-FP | Phase: NMP.2013.1.4-1 | Award Amount: 5.11M | Year: 2014

The objective of the NanoSim project is to create an efficient and cost effective multi-scale simulation platform based on free and open-source codes. This platform will connect models spanning a wide range of scales from the atomic scale through the particle and cluster scales, the industrial equipment scale and the full system scale. To support the information flow and data sharing between different simulation packages, the NanoSim project will develop an open and integrated framework for numerical design called Porto to be used and distributed in terms of the GNU Lesser General Public License (LGPL). A core co-simulation platform called COSI (also licensed as LGPL) will be established based on existing CFDEMcoupling (an open source particle and continuum modelling platform). To establish this software tool, the project will develop and improve models to describe the relevant phenomena at each scale, and will then implement them on the next coarser scale. This scientific coupling between scales will be supported by sophisticated software and data management in such a way that the actual model implementation in various software packages will be fully automatic. The resulting open source software platform will be used to facilitate the rational design of second generation gas-particle CO2 capture technologies based on nano-structured materials with a particular focus on Chemical Looping Reforming (CLR). However, the final NanoSim platform will be sufficiently generic for application in a wide range of gas-particle contacting processes. Finally, the NanoSim project will demonstrate the capabilities of this multi-scale software platform to custom design an industrial scale reactor/process in a way that most effectively leverages the superior reactivity and tailored selectivity of any specific nano-structured material. Such efficient process optimization capabilities will maximize the economic benefits of nano-structured materials through process intensification.

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