Skip to main content
SpringerLink
Log in

Optimization of Large-Scale Reacting Flows using MPSalsa and Sequential Quadratic Programming

  • Conference paper
Large-Scale PDE-Constrained Optimization

Part of the book series: Lecture Notes in Computational Science and Engineering ((LNCSE,volume 30))

Abstract

An rSQP optimization algorithm has been linked to the MPSalsa parallel reacting flows code. The goal is to developSAND (Simultaneous Analysis aNd Design) methods for use with large-scale PDE simulations. MPSalsa is a unstructured grid finite element code that uses a fully coupled Newton method to solve the PDEs governing fluid flow, heat transfer, and non-dilute mass transfer. In this paper, we present results for optimization of a Chemical Vapor Deposition reactor for growing thin films of Gallium Nitride. In particular, we address issues of inexactness in the Jacobian matrix and of solution multiplicity.

Sandia is a multiprogram laboratory operated by Sandia Corporation, a Lockheed-Martin Company, for the United States Department of Energy under Contract DE-AC04-94AL85000.

This is a preview of subscription content, log in via an institution to check access.

Access this chapter

Log in via an institution
Chapter
USD 29.95
Price excludes VAT (USA)
  • Available as PDF
  • Read on any device
  • Instant download
  • Own it forever
eBook
USD 139.00
Price excludes VAT (USA)
  • Available as PDF
  • Read on any device
  • Instant download
  • Own it forever
Softcover Book
USD 179.99
Price excludes VAT (USA)
  • Compact, lightweight edition
  • Dispatched in 3 to 5 business days
  • Free shipping worldwide - see info

Tax calculation will be finalised at checkout

Purchases are for personal use only

Institutional subscriptions

Preview

Unable to display preview. Download preview PDF.

Unable to display preview. Download preview PDF.

References

  1. Bartlett, R. Object Oriented Approaches to Large-Scale Nonlinear Programming for Process Syst ems Engineering. PhD thesis, Department of Chemical Engineering, Carnegie Mellon University, Pittsburgh, PA, 2001.

    Google Scholar 

  2. L.T. Biegler, J. Nocedal, and C. Schmid. A reduced hessian method for largescale constrained optimization. SIAM J. Opt., 5:314, 1995.

    Article  MathSciNet  MATH  Google Scholar 

  3. E. A. Burroughs, L. A. Romero, R B. Lehoucq, and A. G. Salinger. Large scale eigenvalue calculations for computing the stability of buoyancy driven flows. Sandia Technical Report, SAND2001-0113, 2001.

    Google Scholar 

  4. M.S. Eldred, W.E. Hart, W.J. Bohnhoff, V.J. Romero, S.A. Hutchinson, and A.G. Salinger. Utilizing object-oriented design to build advanced optimization strategies with generic implementation. Proceedings of the 6th AIAA/NASA/ISSMO Symposium on Multidisciplinary Analysis and Optimization, AIAA-96-4164-CP, Bellevue, WA, pages 1568–1582, 1996.

    Google Scholar 

  5. G.C. Ide, A.G. Salinger, RP. Pawlowski, J.N. Shadid, and L.T. Biegler. A tailored optimization strategy for pde-based design: Application to a cvd reactor. Computers in Chem. Eng., 2002. submitted.

    Google Scholar 

  6. R B. Lehoucq and A. G. Salinger. Large-scale eigenvalue calculations for stability analysis of steady flows on massively parallel computers. International Journal for Num erical Methods in Fluids, 36:309–327, 2001.

    Article  MATH  Google Scholar 

  7. R P. Pawlowski, C. Theodoropoulos, A. G. Salinger, T. J. Mountziaris, H. K. Moffat, J. N. Shadid, and E. J. Thrush. Fundamental models of the metalorganic vapor-phase epitaxy of galluim nitride and their use in reactor design. Journal of Crystal Growth, 221:622–628, 2000.

    Article  Google Scholar 

  8. A. G. Salinger, N.M. Bou-Rabee, B.A. Burroughs, RB. Lehoucq, RP. Pawlowski, L.A. Romero, and E.D. Wilkes. LOCA: A library of continuation algorithms — Theroy manual and user’ s guide. Technical report, Sandia National Laboratories, Albuquerque, New Mexico 87185, 2002. SAND2002-0396.

    Book  Google Scholar 

  9. A. G. Salinger, K. D. Devine, G. L. Hennigan, H. K. Moffat, S. A. Hutchinson, and J. N. Shadid. MPSalsa: A finite element computer program for reacting flow problems — part II user’s guide. Technical report, Sandia National Laboratories, Albuquerque, New Mexico 87185, 1996. SAND96-2331.

    Google Scholar 

  10. A. G. Salinger, J. N. Shadid, S. A. Hutchinson, G. L. Hennigan, K. D. Devine, and H. K. Moffat. Analysis of gallium arsenide deposition in a horizontal chemical vapor deposition reactor using massively parallel computations. Journal of Crystal Growth, 203:516–533, 1999.

    Article  Google Scholar 

  11. A.G. Salinger, RB. Lehoucq, and L.A Romero. Stability analysis of large-scale incompressible flow calculations on massively parallel computers. CFD Journal, 9(1):529–533, 2001.

    Google Scholar 

  12. J. N. Shadid, H. K. Moffat, S. A. Hutchinson, G. L. Hennigan, K. D. Devine, and A. G. Salinger. MPSalsa: A finite element computer program for reacting flow problems — Part I theoretical development. Technical report, Sandia National Laboratories, Albuquerque, New Mexico 87185, 1996. SAND95-2752.

    Book  Google Scholar 

  13. J.N. Shadid. A fully-coupled Newton-Krylov solution method for parallel unstructured finite element fluid flow, heat and mass transport. IJCFD, 12:199–211, 1999.

    MathSciNet  MATH  Google Scholar 

Download references

Author information

Authors and Affiliations

  1. Parallel Computational Sciences Department, Sandia National Laboratories, Albuquerque, NM, 87185, USA

    A. G. Salinger, R. P. Pawlowski & J. N. Shadid

  2. Optimization and Uncertainty Quantification Department, Sandia National Laboratories, Albuquerque, NM, 87185, USA

    B. van Bloemen Waanders & R. Bartlett

  3. Department of Chemical Engineering, Carnegie Mellon University, Pittsburgh, PA, USA

    R. Bartlett, G. C. Itle & L. Biegler

Authors
  1. A. G. Salinger
    View author publications

    You can also search for this author in PubMed Google Scholar

  2. R. P. Pawlowski
    View author publications

    You can also search for this author in PubMed Google Scholar

  3. J. N. Shadid
    View author publications

    You can also search for this author in PubMed Google Scholar

  4. B. van Bloemen Waanders
    View author publications

    You can also search for this author in PubMed Google Scholar

  5. R. Bartlett
    View author publications

    You can also search for this author in PubMed Google Scholar

  6. G. C. Itle
    View author publications

    You can also search for this author in PubMed Google Scholar

  7. L. Biegler
    View author publications

    You can also search for this author in PubMed Google Scholar

Editor information

Editors and Affiliations

  1. Department of Chemical Engineering, Carnegie Mellon University, Pittsburgh, PA, 15213, USA

    Lorenz T. Biegler

  2. Department of Computational and Applied Mathematics, Rice University, 6100 S. Main Street — MS134, Houston, TX, 77005, USA

    Matthias Heinkenschloss

  3. Department of Biomedical Engineering and Civil & Environmental Engineering, Carnegie Mellon University, Pittsburgh, PA, 15213, USA

    Omar Ghattas

  4. Optimization & Uncertainty Estimation Dept., Sandia National Laboratories — MS 0847, P.O. Box 5800, Albuquerque, NM, 87185, USA

    Bart van Bloemen Waanders

Rights and permissions

Reprints and permissions

Copyright information

© 2003 Springer-Verlag Berlin Heidelberg

About this paper

Cite this paper

Salinger, A.G. et al. (2003). Optimization of Large-Scale Reacting Flows using MPSalsa and Sequential Quadratic Programming. In: Biegler, L.T., Heinkenschloss, M., Ghattas, O., van Bloemen Waanders, B. (eds) Large-Scale PDE-Constrained Optimization. Lecture Notes in Computational Science and Engineering, vol 30. Springer, Berlin, Heidelberg. https://doi.org/10.1007/978-3-642-55508-4_3

Download citation

  • DOI: https://doi.org/10.1007/978-3-642-55508-4_3

  • Publisher Name: Springer, Berlin, Heidelberg

  • Print ISBN: 978-3-540-05045-2

  • Online ISBN: 978-3-642-55508-4

  • eBook Packages: Springer Book Archive

Publish with us

Policies and ethics

Search

Navigation