DOI: https://doi.org/10.26089/NumMet.v24r432

Web laboratory for supercomputer multiscale modeling of spraying problems

Authors

  • Nikita I. Tarasov
  • Viktoriia O. Podryga
  • Sergey V. Polyakov

Keywords:

Web laboratory
digital platform
multiscale approahes
computational experiments automation
supercomputer calculations

Abstract

The work is devoted to the analysis of the principles of constructing the web laboratories intended for supercomputer mathematical modeling of complex physical processes and phenomena. The main goals of such digital platforms are the automation of computational experiments, formation of a knowledge base and ensuring collaboration of researchers in a subject area. The work discusses the solutions that exist today and the principles for constructing subject-oriented platforms. Based on the analysis performed, a web laboratory related to solving spraying problems was developed and implemented. The work provides the architecture and details of the software implementation of the platform. Its main advantages are the ability to dynamically integrate problem-oriented applications and remote computing resources. The implemented web laboratory was tested through a series of computational experiments on model problems of supersonic cold gas-dynamic spraying. The work suggests directions for the subsequent development of the original web laboratory.


Published

2023-12-13

Issue

Section

Parallel software tools and technologies

Author Biographies

Nikita I. Tarasov

Viktoriia O. Podryga

Sergey V. Polyakov


References

  1. V. O. Podryga, S. V. Polyakov, N. I. Tarasov, and V. A. Usachev, “Mathematical Modeling the Processes of Supersonic Cold Gas Dynamic Spraying of Nanoparticles on Substrates,” Lobachevskii J. Math. 44 (8), 1918-1928 (2023).
    doi 10.1134/S1995080223050487
  2. Ansys Workbench. Simulation Integration Platform.
    https://www.ansys.com/products/ansys-workbench . Cited December 6, 2023.
  3. A. A. Aksenov, “FlowVision: Industrial Computational Fluid Dynamics,” Comput. Res. Model. 9 (1), 5-20 (2017).
    doi 10.20537/2076-7633-2017-9-5-20
  4. V. O. Podryga, S. V. Polyakov, and N. I. Tarasov, Digital Platform Server for Supercomputer Modeling of Nanoparticle Spraying Processes on Substrates KIAM_DIGITAL_TOOL_SERVER, Version 1 , Certificate of RF Registration of Computer Program No. 2022666958. Date of Registration: September 12, 2022.
  5. V. O. Podryga, S. V. Polyakov, and N. I. Tarasov, Digital Platform Web-client for Supercomputer Modeling of Nanoparticle Spraying Processes on Substrate KIAM_DIGITAL_TOOL_CLIENT, Version 1 , Certificate of RF Registration of Computer Program No. 2022666957. Date of Registration: September 12, 2022.
  6. N. I. Tarasov, V. O. Podryga, S. V. Polyakov, and A. V. Timakov, “Digital Platform for Supercomputer Mathematical Modeling of Spraying Processes,” Russ. Digit. Libr. J. 25 (6), 697-721 (2022).
    doi 10.26907/1562-5419-2022-25-6-697-721
  7. TypeScript: JavaScript with Syntax for Types.
    https://www.typescriptlang.org/. Cited December 6, 2023.
  8. S. P. Polyakov, A. P. Demichev, and A. P. Kryukov, “Web Toolkit for Scientific Research: State of the Art and the Prospect for Development,” Procedia Comput. Sci. 66, 429-438 (2015).
    doi 10.1016/j.procs.2015.11.049
  9. A. P. Kryukov, A. P. Demichev, and S. P. Polyakov, “Web Platforms for Scientific Research,” Program. Comput. Softw. 42 (3), 129-141 (2016).
    doi 10.1134/S036176881603004X
  10. Prove.Design.
    https://prove.design . Cited December 6, 2023.
  11. J. Magill, R. Dreher, Z. Sóti, and G. P. Lasché, “Nucleonica: Web-Based Software Tools for Simulation and Analysis,” in Proc. 21st Int. Conf. on Nuclear Energy for New Europe, Ljubljana, Slovenia, September 5-7, 2012.
    https://arhiv.djs.si/proc/nene2012/Publication_datoteke/Proceedings/1303.pdf . Cited December 6, 2023.
  12. pSeven Enterprise.
    https://www.pseven.io/product/pseven-enterprise/. Cited December 7, 2023.
  13. O. Sukhoroslov, S. Volkov, and A. Afanasiev, “A Web-Based Platform for Publication and Distributed Execution of Computing Applications,” in Proc. 14th Int. Symposium on Parallel and Distributed Computing (ISPDC), Limassol, Cyprus, June 29-July 2, 2015.
    doi 10.1109/ISPDC.2015.27
  14. Everest.
    https://everest.distcomp.org/apps/list . Cited December 7, 2023.
  15. M. McLennan and R. Kennell, “HUBzero: A Platform for Dissemination and Collaboration in Computational Science and Engineering,” Comput. Sci. Eng. 12 (2), 48-53 (2010).
    doi 10.1109/MCSE.2010.41
  16. K. Madhavan, L. Zentner, V. Farnsworth, et al., “nanoHUB.org: Cloud-Based Services for Nanoscale Modeling, Simulation, and Education,” Nanotechnol. Rev. 2 (1), 107-117 (2013).
    doi 10.1515/ntrev-2012-0043
  17. S. Steiger, M. Povolotskyi, H.-H. Park, et al., “NEMO5: A Parallel Multiscale Nanoelectronics Modeling Tool,” IEEE Trans. Nanotechnol. 10 (6), 1464-1474 (2011).
    doi 10.1109/TNANO.2011.2166164
  18. A. Alber, J. Nabrzyski, and T. Wright, “The HUBzero Platform: Extensions and Impressions,” in Proc. 3rd Int. Workshop on Science Gateways for Life Sciences (IWSG 2011), London, United Kingdom, June 8-10, 2011.
    https://ceur-ws.org/Vol-819/paper2.pdf . Cited December 7, 2023.
  19. D. Mejia, T. Kubis, and G. Klimeck, “NemoViz: a Visual Interactive System for Atomistic Simulations Design,” Vis. Eng. 6, Article Number 6 (2018).
    doi 10.1186/s40327-018-0067-4
  20. B. E. Granger and F. Pérez, “Jupyter: Thinking and Storytelling with Code and Data,” Comput. Sci. Eng. 23 (2), 7-14 (2021).
    doi 10.1109/MCSE.2021.3059263
  21. F. Pérez and B. E. Granger, “IPython: a System for Interactive Scientific Computing,” Comput. Sci. Eng. 9 (3), 21-29 (2007).
    doi 10.1109/MCSE.2007.53
  22. GitHub -- voila-dashboards/voila: Voilá turns Jupyter notebooks into standalone web applications.
    https://github.com/voila-dashboards/voila . Cited December 7, 2023.
  23. R. Thomas and S. Cholia, “Interactive Supercomputing with Jupyter,” Comput. Sci. Eng. 23 (2), 93-98 (2021).
    doi 10.1109/MCSE.2021.3059037
  24. O. I. Samovarov and S. S. Gaysaryan, “The Web-laboratory Architecture Based on the Cloud and the UniHUB Implementation as an Extension of the OpenStack Platform,” Proceedings of the Institute for System Programming of the RAS. 26 (1), 403-420 (2014).
    doi 10.15514/ISPRAS-2014-26(1)-17
  25. S. V. Polyakov, A. V. Vyrodov, D. V. Puzyrkov, and M. V. Yakobovskiy, “Cloud Service for Decision of Multiscale Nanotechnology Problems on Supercomputer Systems,” Proceedings of the Institute for System Programming of the RAS. 27 (6), 409-420 (2015).
    doi 10.15514/ISPRAS-2015-27(6)-26
  26. Electron. Build cross-platform desktop apps with JavaScript, HTML, and CSS.
    https://www.electronjs.org/. Cited December 7, 2023.
  27. TOP500. The List. June 2023.
    https://www.top500.org/lists/top500/2023/06/. Cited December 7, 2023.
  28. SUPPZ.
    http://suppz.jscc.ru/. Cited December 7, 2023.
  29. CKP KIAM RAS.
    https://ckp.kiam.ru/?home . Cited December 7, 2023.
  30. Node.js.
    https://nodejs.org/. Cited December 7, 2023.
  31. NestJS: A progressive Node.js framework.
    https://nestjs.com/. Cited December 7, 2023.
  32. Express: Node.js web application framework.
    https://expressjs.com/. Cited December 7, 2023.
  33. TypeORM: Amazing ORM for TypeScript and JavaScript.
    https://typeorm.io/. Cited December 7, 2023.
  34. Vue.js: The Progressive JavaScript Framework.
    https://vuejs.org/. Cited December 7, 2023.
  35. Quasar Framework.
    https://quasar.dev/. Cited December 7, 2023.
  36. Request for Comments: 6455. The WebSocket Protocol.
    https://datatracker.ietf.org/doc/html/rfc6455 . Cited December 7, 2023.
  37. PM2 - Home.
    https://pm2.keymetrics.io/. Cited December 7, 2023.
  38. Redis.
    https://redis.io/. Cited December 7, 2023.
  39. Git.
    https://git-scm.com/. Cited December 7, 2023.
  40. The Official YAML Web Site.
    https://yaml.org/. Cited December 7, 2023.
  41. Decorator-based transformation, serialization, and deserialization between objects and classes.
    https://github.com/typestack/class-transformer . Cited December 7, 2023.
  42. Decorator-based property validation for classes.
    https://github.com/typestack/class-validator . Cited December 7, 2023.
  43. Markdown Guide.
    https://www.markdownguide.org/. Cited December 7, 2023.
  44. A. A. Bondarenko, E. M. Kononov, O. A. Kosolapov, et al., “Software Package GIMM_NANO,” in Proc. Int. Supercomputer Conf. Scientific Service on the Internet: All Facets of Parallelism, Novorossiysk, Russia, September 23-28, 2013.
    http://agora.guru.ru/abrau2013/pdf/333.pdf . Cited December 7, 2023.
  45. T. G. Elizarova, Quasi-Gas Dynamic Equations (Springer, Berlin, 2009).
    doi 10.1007/978-3-642-00292-2
  46. V. O. Podryga and S. V. Polyakov, “Multiscale Mathematical Modeling of the Metal Nanoparticles Motion in a Gas Flow,” in Lecture Notes in Computer Science (Springer, Cham, 2019), Vol. 11386, pp. 387-394.
    doi 10.1007/978-3-030-11539-5_44
  47. J. M. Haile, Molecular Dynamics Simulations: Elementary Methods (Wiley, New York, 1992).
  48. V. O. Podryga, S. V. Polyakov, and D. V. Puzyrkov, “Supercomputer Molecular Modeling of Thermodynamic Equilibrium in Gas-Metal Microsystems,” Numerical Methods and Programming (Vychislitel’nye Metody i Programmirovanie) 16 (1), 123-138 (2015).
    doi 10.26089/NumMet.v16r113
  49. Ansys Fluent. Fluid Simulation Software.
    https://www.ansys.com/products/fluids/ansys-fluent . Cited December 7, 2023.
  50. CFD Module. Simulate Single-Phase and Multiphase Flow.
    https://www.comsol.com/cfd-module . Cited December 7, 2023.
  51. S. V. Polyakov, V. O. Podryga, D. V. Puzyrkov, and T. A. Kudryashova, “Supercomputer Molecular Modeling of Gas-Dynamic Deposition of Nanoparticles onto a Substrate,” in Proc. Int. Conf. on Russian Supercomputing Days, Moscow, Russia, September 24-25, 2018 (Mosk. Gos. Univ., Moscow, 2018), pp. 782-792.
    http://russianscdays.org/files/pdf18/782.pdf . Cited December 7, 2023.
  52. V. Podryga and S. Polyakov, “Atomistic Modeling of Metal Nanocluster Motion Caused by Gas Flow Impact,” Lobachevskii J. Math. 40 (11), 1987-1993 (2019).
    doi 10.1134/S1995080219110210
  53. Visualizer.
    https://kitware.github.io/visualizer/. Cited December 7, 2023.
  54. U. Ayachit, The ParaView Guide: A Parallel Visualization Application (Kitware Inc., Clifton Park, 2015).