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Supercomputing and Energy for Mexico

Deliverables

Report on numerical modeling performance for challenging subsurface targets

Report on numerical modeling performance (accuracy, compute time) for challenging subsurface targets (M24)

Report on classification of different wind conditions relevant for wind turbine design by specifying relevant external parameters in complex flow situations

A description of the relevant coupling parameters between meso and micro scale will be given using both high resolution climatology and field data. As a result the report will propose a new guideline for the classification of wind conditions for wind turbine design.

Dissemination Plan

This deliverable will set out the dissemination strategy and the activities to be undertaken to achieve this Results of the dissemination work will be reported in the periodic and final reports

Report on the experimental database generated after the measurement campaigns at EU and Mexico of the proposed fuels for transportation

This reports includes the experimental datasets and the operated conditions of the experimental campaign for the fuels of interest.

Report on the methodology of the different meso-scale micro-scale coupling algorithms developed

The two novel coupling strategies for LES and RANS wind farm modelling developed in ENERXICO will be detailed in D2.2 report. Details in numerical modelling, parallel implementation and coupling will be given.

Report on the validation of the numerical simulations conducted for inert and reacting sprays as well as the engine facility located at CMT

This reports details the validation of the physical models using high-fidelity simulations for relevant operating conditions.

Report on efficiency assessment of HPC codes in intra and multi-node

Efficiency measurements of current version of HPC codes for available Exascale architectures and prototypes.

Report on developments for hydrocarbon refinement

Report on developments for hydrocarbon refinement

Report on numerical and computational developments for reservoir simulations together with industry validation

Report on numerical and computational developments for reservoir simulations together with industry validation

Report on enabling computational and energy efficient codes for the Exascale

Reviews performance measurements and improvements related to computational and energy efficiency bottlenecks in HPC codes to exploit Exascale capabilities.

Report on the validation and benchmarking of the different meso-scale micro-scale coupling techniques

In D2.3 the coupling strategies will be benchmarked against field data of EU and Mexican wind farms and current generation industrial tools. Discussion on the bottlenecks of the developed technologies and its possible implementation in exascale machines will be given.

Report on the modeling approach proposed in the project to model turbulent spray flames using large-eddy simulation

This report includes the physical and numerical modelling approach proposed to characterize numerically the multiphase reacting flow.

Final Dissemination and Exploitation Report

This deliverable will report on the dissemination and exploitation activities of the project.

Report on the characterization of the physico-chemical properties of the fuels under investigation

This report includes the physico-chemical properties of the fuels of interest and will be used by the CFD

Report on intra-node and multi-node optimizations for HPC codes

Summarizes the optimizations applied to HPC codes and the obtained results in terms of efficiency and scalability.

Pipeline flow simulation demonstrator

Pipeline flow simulation demonstrator based upon the SPH-Multiphase Flow Tool, to demonstrate its capabilities for the simulation of complex flows.

Data Management Plan (DMP)

The DMP will describe the life cycle for all data sets that will be collected, processed or generated by the research project. It is a document outlining how research data will be handled during a research project, and even after the project is completed, describing what data will be collected, processed or generated and following what methodology and standards, whether and how this data will be shared and/or made open, and how it will be curated and preserved. The DMP is not a fixed document; it evolves and gains more precision and substance during the lifespan of the project. It should include the following information: i. Description of Data, ii. Data Collection/Generation, iii. Data management: documentation & Metadata, iv. Intellectual Property Rights and v. Accessibility: Data sharing, archiving and preservation.

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Publications

Green water loads using the wet dam-break method and SPH

Author(s): Omar S. Areu-Rangel, Jassiel V. Hernández-Fontes, Rodolfo Silva, Paulo T.T. Esperança, Jaime Klapp
Published in: Ocean Engineering, 219, 2021, Page(s) 108392, ISSN 0029-8018
Publisher: Pergamon Press Ltd.
DOI: 10.1016/j.oceaneng.2020.108392

Modeling of Branched Thickening Polymers under Poiseuille Flow Gives Clues as to How to Increase a Solvent’s Viscosity

Author(s): E. Mayoral, A. Gama Goicochea
Published in: The Journal of Physical Chemistry B, 125/6, 2021, Page(s) 1692-1704, ISSN 1520-6106
Publisher: American Chemical Society
DOI: 10.1021/acs.jpcb.0c11087

Comparison of the Diffusive Flame Structure for Dodecane and OME X Fuels for Conditions of Spray A of the ECN

Author(s): Jose V. Pastor, Jose M Garcia-Oliver, Carlos Micó, Francisco J. Tejada
Published in: SAE International Journal of Advances and Current Practices in Mobility, 3/1, 2021, Page(s) 402-411, ISSN 2641-9645
Publisher: SAE International
DOI: 10.4271/2020-01-2120

The Latin American supercomputing ecosystem for science

Author(s): Isidoro Gitler, Antônio Tadeu A. Gomes, Sergio Nesmachnow
Published in: Communications of the ACM, 63/11, 2020, Page(s) 66-71, ISSN 0001-0782
Publisher: Association for Computing Machinary, Inc.
DOI: 10.1145/3419977

Smoothed Particle Hydrodynamics Modeling of Natural Convection Around a Heated Horizontal Cylinder: A Comparison With Experiments

Author(s): F. Aragón, J. E. V. Guzmán, C. E. Alvarado-Rodríguez, L. Di G. Sigalotti, I. Carvajal-Mariscal, J. Klapp, A. R. Uribe-Ramírez
Published in: Journal of Heat Transfer, 143/4, 2021, ISSN 0022-1481
Publisher: ASME
DOI: 10.1115/1.4049495

Modified dynamic boundary conditions (mDBC) for general-purpose smoothed particle hydrodynamics (SPH): application to tank sloshing, dam break and fish pass problems

Author(s): A. English, J. M. Domínguez, R. Vacondio, A. J. C. Crespo, P. K. Stansby, S. J. Lind, L. Chiapponi, M. Gómez-Gesteira
Published in: Computational Particle Mechanics, 2021, ISSN 2196-4378
Publisher: Computational Particle Mechanics
DOI: 10.1007/s40571-021-00403-3

Experimental Study of the Effect of Hydrotreated Vegetable Oil and Oxymethylene Ethers on Main Spray and Combustion Characteristics under Engine Combustion Network Spray A Conditions

Author(s): José V. Pastor, José M. García-Oliver, Carlos Micó, Alba A. García-Carrero, Arantzazu Gómez
Published in: Applied Sciences, 10/16, 2020, Page(s) 5460, ISSN 2076-3417
Publisher: MDPI
DOI: 10.3390/app10165460

Machine Learning as a Seismic Prior Velocity Model Building Method for Full-Waveform Inversion: A Case Study from Colombia

Author(s): Ursula Iturrarán-Viveros, Andrés M. Muñoz-García, Octavio Castillo-Reyes, Khemraj Shukla
Published in: Pure and Applied Geophysics, 178/2, 2021, Page(s) 423-448, ISSN 0033-4553
Publisher: Birkhauser Verlag
DOI: 10.1007/s00024-021-02655-9

Tsunami hydrodynamic force on a building using a SPH real-scale numerical simulation

Author(s): Jaime Klapp, Omar S. Areu-Rangel, Marcela Cruchaga, Rafael Aránguiz, Rosanna Bonasia, Mauricio J. Godoy, Rodolfo Silva-Casarín
Published in: Natural Hazards, 100/1, 2020, Page(s) 89-109, ISSN 0921-030X
Publisher: Kluwer Academic Publishers
DOI: 10.1007/s11069-019-03800-3

Alternating direction implicit time integrations for finite difference acoustic wave propagation: Parallelization and convergence

Author(s): B. Otero, O. Rojas, F. Moya, J.E. Castillo
Published in: Computers & Fluids, 205, 2020, Page(s) 104584, ISSN 0045-7930
Publisher: Pergamon Press Ltd.
DOI: 10.1016/j.compfluid.2020.104584

Execution data logs of a supercomputer workload over its extended lifetime

Author(s): Manuel Rodríguez-Pascual, Antonio J. Rubio-Montero, José A. Moríñigo, Rafael Mayo-García
Published in: Data in Brief, 28, 2020, Page(s) 105006, ISSN 2352-3409
Publisher: Elsevier BV
DOI: 10.1016/j.dib.2019.105006

Land CSEM Simulations and Experimental Test Using Metallic Casing in a Geothermal Exploration Context: Vallès Basin (NE Spain) Case Study

Author(s): Octavio Castillo-Reyes, Pilar Queralt, Alex Marcuello, Juanjo Ledo
Published in: IEEE Transactions on Geoscience and Remote Sensing, 2021, Page(s) 1-13, ISSN 0196-2892
Publisher: Institute of Electrical and Electronics Engineers
DOI: 10.1109/tgrs.2021.3069042

DualSPHysics: from fluid dynamics to multiphysics problems

Author(s): J. M. Domínguez, G. Fourtakas, C. Altomare, R. B. Canelas, A. Tafuni, O. García-Feal, I. Martínez-Estévez, A. Mokos, R. Vacondio, A. J. C. Crespo, B. D. Rogers, P. K. Stansby, M. Gómez-Gesteira
Published in: Computational Particle Mechanics, 2021, ISSN 2196-4378
Publisher: Computational Particle Mechanics
DOI: 10.1007/s40571-021-00404-2

Smoothed Particle Hydrodynamics Simulations of Water Flow in a 90° Pipe Bend

Author(s): Leonardo Di G. Sigalotti, Carlos E. Alvarado-Rodríguez, Jaime Klapp, José M. Cela
Published in: Water, 13/8, 2021, Page(s) 1081, ISSN 2073-4441
Publisher: Multidisciplinary Digital Publishing Institute (MDPI)
DOI: 10.3390/w13081081

Smoothed Particle Hydrodynamics Simulations of Turbulent Flow in Curved Pipes With Different Geometries: A Comparison With Experiments

Author(s): C. E. Alvarado-Rodríguez, L. Di G. Sigalotti, J. Klapp, C. R. Fierro-Santillán, F. Aragón, A. R. Uribe-Ramírez
Published in: Journal of Fluids Engineering, 143/9, 2021, ISSN 0098-2202
Publisher: ASME
DOI: 10.1115/1.4050514

Self – assembly of model surfactants as reverse micelles in nonpolar solvents and their role as interfacial tension modifiers

Author(s): E. Mayoral, J.A. Arcos-Casarrubias, A. Gama Goicochea
Published in: Colloids and Surfaces A: Physicochemical and Engineering Aspects, 615, 2021, Page(s) 126244, ISSN 0927-7757
Publisher: Elsevier BV
DOI: 10.1016/j.colsurfa.2021.126244

Towards an open-source landscape for 3-D CSEM modelling

Author(s): Dieter Werthmüller, Raphael Rochlitz, Octavio Castillo-Reyes, Lindsey Heagy
Published in: Geophysical Journal International, 227/1, 2021, Page(s) 644-659, ISSN 0956-540X
Publisher: Geological Society by Blackwell Scientific
DOI: 10.1093/gji/ggab238

Multiphase Flows Simulation with the Smoothed Particle Hydrodynamics Method

Author(s): Carlos E. Alvarado-Rodríguez, Jaime Klapp, J. M. Domínguez, A. R. Uribe-Ramírez, J. J. Ramírez-Minguela, M. Gómez-Gesteira
Published in: Supercomputing - 10th International Conference on Supercomputing in Mexico, ISUM 2019, Monterrey, Mexico, March 25–29, 2019, Revised Selected Papers, 1151, 2019, Page(s) 282-301, ISBN 978-3-030-38042-7
Publisher: Springer International Publishing
DOI: 10.1007/978-3-030-38043-4_23

Algorithm for Removing Secondary Lines Blended with Balmer Lines in Synthetic Spectra of Massive Stars

Author(s): Celia R. Fierro-Santillán, Jaime Klapp, Leonardo Di G. Sigalotti, Janos Zsargó
Published in: Supercomputing - 10th International Conference on Supercomputing in Mexico, ISUM 2019, Monterrey, Mexico, March 25–29, 2019, Revised Selected Papers, 1151, 2019, Page(s) 163-170, ISBN 978-3-030-38042-7
Publisher: Springer International Publishing
DOI: 10.1007/978-3-030-38043-4_14

Optimization and Local Time Stepping of an ADER-DG Scheme for Fully Anisotropic Wave Propagation in Complex Geometries

Author(s): Sebastian Wolf, Alice-Agnes Gabriel, Michael Bader
Published in: Computational Science – ICCS 2020 - 20th International Conference, Amsterdam, The Netherlands, June 3–5, 2020, Proceedings, Part III, 12139, 2020, Page(s) 32-45, ISBN 978-3-030-50419-9
Publisher: Springer International Publishing
DOI: 10.1007/978-3-030-50420-5_3

Lagrangian Approach for the Study of Heat Transfer in a Nuclear Reactor Core Using the SPH Methodology

Author(s): F. Pahuamba-Valdez, E. Mayoral-Villa, C. E. Alvarado-Rodríguez, J. Klapp, A. M. Gómez-Torres, E. Del Valle-Gallegos
Published in: Supercomputing - 10th International Conference on Supercomputing in Mexico, ISUM 2019, Monterrey, Mexico, March 25–29, 2019, Revised Selected Papers, 1151, 2019, Page(s) 108-124, ISBN 978-3-030-38042-7
Publisher: Springer International Publishing
DOI: 10.1007/978-3-030-38043-4_10

Creating and Using Large Grids of Pre-calculated Model Atmospheres for Rapid Analysis of Stellar Spectra

Author(s): Janos Zsargó, Celia Rosa Fierro-Santillán, Jaime Klapp, Anabel Arrieta, Lorena Arias, Jurij Mendoza Valencia, Leonardo Di G. Sigalotti
Published in: Supercomputing - 10th International Conference on Supercomputing in Mexico, ISUM 2019, Monterrey, Mexico, March 25–29, 2019, Revised Selected Papers, 1151, 2019, Page(s) 227-236, ISBN 978-3-030-38042-7
Publisher: Springer International Publishing
DOI: 10.1007/978-3-030-38043-4_19

Using GPUs for Determining the Energy Configuration of Superconducting Vortex Lattices with Stochastic Methods

Author(s): Noelia Molero-Puerto, Rafael Mayo-Garcia
Published in: 2019 Winter Simulation Conference (WSC), 2019, Page(s) 3277-3284, ISBN 978-1-7281-3283-9
Publisher: IEEE
DOI: 10.1109/wsc40007.2019.9004672

Proceedings of the International Conference for High Performance Computing, Networking, Storage and Analysis

Author(s): Bronis R. de Supinski, Mary Hall, Todd Gamblin
Published in: 2021, ISBN 9781450384421
Publisher: ACM
DOI: 10.1145/3458817