Sylvie Aubry

(she/her)

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  • Title
    Research Staff
  • Email
    aubry5@llnl.gov
  • Phone
    (925) 423-0927
  • Organization
    Not Available

Research Interests

Since I started at LLNL in 2010, I've been involved in predicting the strength of metals using dislocation dynamics simulations. I've been developing the ParaDiS capability. Recently, I have moved on to using molecular dynamics simulations to predict the strength of metals and alloys. In 2022, I started the new position at LLNL of ReSorT-M team lead. ReSorT-M stands for Reaction, Sorption, Transport, and chemo-Mechanical models.

My main research interests are

  • Metals and alloys strength
  • Large-scale molecular dynamics simulations
  • Mesoscale simulations
  • Dislocation dynamics simulations
  • Metal corrosion
  • Water vapor sorption, desorption, and transport

Current position(s)

 

Staff scientist in material science

ReSorT-M, Reaction, Sorption, Transport, and Mechanics, team lead

 

Career path

 

Since 2022: ReSorT-M team lead

2010-2022: Staff member at LLNL, CA

2007-2010: Researcher at Stanford University, CA

2001-2007: Staff scientist at Sandia National Laboratories, Livermore, CA.

1999-2001: Postdoctoral fellow in mechanical engineering, Caltech, CA

 

Highlights

  • LLNL LDRD Committee Chair, 2019-2022
  • DOE HPC4Mfg National Review Panel, 2023-present

Subject Matter Expertise

  • Dislocation dynamics
  • Mechanics of materials
  • Thermal transport
  • High performance computing
  • Scientific computing and parallel programming
  • Numerical methods
  • Numerical optimization

Education

 

1999                     Ph.D.  Numerical Analysis, Paris VI University, Paris, France

1996                     M.Sc.  Applied Mathematics, Paris VI University, Paris, France

1995                     B.S.     Applied Mathematics, Paris VI University, Paris, France

 

Ph.D. Numerical Analysis, University Pierre and Marie Curie, France, 1999

M.Sc. Numerical Analysis, University Pierre and Marie Curie, France 1996

B.S. Numerical Analysis, University Pierre and Marie Curie, France, 2001

  1. Jeremy Scher, Stephen Weitzner, Yue Hao,Tae Wook Heo, Stephen Castonguay, Sylvie Aubry, Susan Carroll, Matthew Kroonblawd, "Model for Humidity-Mediated Diffusion on Aluminum Surfaces and its Role in Accelerating Atmospheric Aluminum Corrosion,” ACS Applied Materials & Interfaces, accepted (2023)
     

    Stephen T. Castonguay, Pratanu Roy, Yunwei Sun, Sylvie Aubry, Brandon Foley, Elizabeth A. Glascoe, Hom N. Sharma, "Modeling Diffusion and Types I-V Sorption of Water Vapor in Heterogeneous Systems,” Chemical Engineering Science (2023), doi: https://doi.org/10.1016/j.ces.2023.118695.
     

    C. McElfresh, N. Bertin, S. Aubry, J. Marian, "Coalescence dynamics of prismatic dislocation loops due to vacancy supersaturation, ” Physical Review Materials 6 (10), L100601, (2022)
     

    JA Hammons, SJ Tumey, S Aubry, RE Rudd, Y Idell, N Bertin, J Ilavsky, "Processes controlling helium bubble dynamics at varying temperatures in simulated radioactive materials, ” Materialia 25, 101529, (2022)
     

    DM Sterbentz, CF Jekel, DA White, S Aubry, HE Lorenzana, JL Belof, "Design optimization for Richtmyer–Meshkov instability suppression at shock-compressed material interfaces, ” Physics of Fluids 34 (8), 082109 (2022)
     

    C. McElfresh, N. Bertin, S. Aubry, J. Marian, "A parallel discrete dislocation dynamics/kinetic Monte Carlo method to study non-conservative plastic processes, ” Computational Materials Science 209, 111332, (2022)
     

    N Bertin, W Cai, S Aubry, VV Bulatov, "Core energies in bcc metals,” Physical Review Materials 5 (2), 025002 (2021).
     

    T Voisin, JB Forien, A Perron, S Aubry, N Bertin, A Samanta, A Baker, Y. Morris Yang, "New insights on cellular structures strengthening mechanisms and thermal stability of an austenitic stainless steel fabricated by laser powder-bed-fusion ” Acta Materialia 203, 116476, (2021).
     

    S Queyreau, K Hoang, X Shi, Sylvie Aubry and Athanasios Arsenlis, "Analytical integration of the tractions induced by non-singular dislocations on an arbitrary shaped triangular quadratic element," Modelling and Simulation in Materials Science and Engineering, 28 (7), 075001 (2020).
     

    Jaehyun Cho, Joshua C. Crone, Athanasios Arsenlis, and Sylvie Aubry, "Dislocation dynamics in polycrystalline materials," Modelling and Simulation in Materials Science and Engineering 28 (3), 035009, (2020).
     

    Nicolas Bertin, Sylvie Aubry, Athanasios Arsenlis, and Wei Cai "GPU-accelerated dislocation dynamics using subcycling time-integration," Modelling and Simulation in Materials Science and Engineering 27 (7), 075014, (2019).
     

    Sylvie Aubry, Sylvain Queyreau, and Athanasios Arsenlis, "Dislocation Dynamics Modeling of the Interaction of Dislocations with Eshelby Inclusions," Mechanics and Physics of Solids at Micro‐and Nano‐Scales, 55-85, (2019).
     

    Larry K. Aagesen, Jiashi Miao, John E. Allison, Sylvie Aubry and Athanasios Arsenlis, "Prediction of Precipitation Strengthening in the Commercial Mg Alloy AZ91 Using Dislocation Dynamics," Metallurgical and Materials Transactions A 49 (5), 1908-1915, (2018).
     

    Chao Chen, Sylvie Aubry, Tomas Oppelstrup, Athanasios Arsenlis and Eric Darve, "Fast algorithms for evaluating the stress field of dislocation lines in anisotropic elastic media,", Modelling and Simulation in Materials Science and Engineering 26 (4), 045007, (2018).
     

    Ryan Sills and Sylvie Aubry, "Line Dislocation Dynamics Simulations with Complex Physics," Handbook of Materials Modeling: Methods: Theory and Modeling, Springer International Publishing, 1-23 (2018).
     

    Sylvie Aubry, Moon Rhee, Gregg Hommes, Vasily Bulatov, and Athanasios Arsenlis, "Dislocation dynamics in hexagonal close-packed crystals", Journal of the Mechanics and Physics of Solids, 94, 105-126 (2016).
     

    Chi-Chin Wu, Sylvie Aubry, Athanasios Arsenlis, and Peter Chung, "Binary dislocation junction formation and strength in hexagonal close-packed crystals", International Journal of Plasticity, Volume 79, pp. 176-195.
     

    Bing Liu, Sylvie Aubry, and Athanasios Arsenlis, "Computing forces on interface elements exerted by dislocations in an elastically anisotropic crystalline material," MSMSE, 24(5):055013(2016).
     

    Haidong Fan, Sylvie Aubry, Athanasios Arsenlis and Jaafar El Awady "Grain size effects on dislocation and twinning mediated plasticity in magnesium, " Scripta Mater., vol. 112, pp. 50-53 (2016).
     

    Haidong Fan, Sylvie Aubry, Athanasios Arsenlis and Jaafar El Awady "The role of twinning deformation on the hardening response of polycrystalline magnesium from discrete dislocation dynamics simulations", Acta Mater., vol. 92, pp. 126-139, (2015).
     

    Haidong Fan, Sylvie Aubry, Athanasios Arsenlis and Jaafar El Awady "Discrete dislocation dynamics simulations of twin size-effects in magnesium", MRS proceedings. vol. 1741, (2015).
     

    Haidong Fan, Sylvie Aubry, Athanasios Arsenlis and Jaafar El Awady "Orientation influence on grain size effects in ultrafine-grained magnesium", Scripta Mater. 97, 25-28, (2015).
     

    David Garner, Carol Woodward, Daniel Reynolds, Gregg Hommes, Sylvie Aubry, and Athanasios Arsenlis "Implicit integrators for dislocation dynamics", Modelling Simul. Mater. Sci. Eng. 23 (2015) 025006.
     

    Joshua Crone, Peter Chung, Kenneth Leiter, Jaroslaw Knap, Sylvie Aubry, Gregg Hommes, and Athanasios Arsenlis " A multiply parallel implementation of finite element-based discrete dislcoation dynamcis for arbitrary geometries" Modelling Simul. Mater. Sci. Eng. 22 (2014) 035014.
     

    Sylvie Aubry, Steve Fitzgerald, and Athanasios Arsenlis, "Methods to compute dislocation line tension energy and force in anisotropic elasticity", Modelling Simul. Mater. Sci. Eng. 22 (2014) 015001.
     

    Sylvie Aubry and Athanasios Arsenlis, "Use of spherical harmonics for dislocation dynamics in anisotropic elastic media", Modelling Simul. Mater. Sci. Eng. 21 (2013) 065013.
     

    Chi-Chin Wu, Peter Chung, Sylvie Aubry, Lynn Munday and Athanasios Arsenlis, "The strength of binary junctions in hexagonal close-packed crystals", Acta Materialia 61 3422-3431 (2013).
     

    Chi-Chin Wu, Sylvie Aubry, Peter Chung and Athanasios Arsenlis, "Dislocation dynamics simulations of junctions in hexagonal close-packed crystals", 2011 MRS Fall meeting, Symposium SS (2012).

    Steve Fitzgerald, Sylvie Aubry, Sergei Dudarev and Wei Cai, "Discrete dislocation dynamics simulation of Frank-Read sources in anisotropic alpha-Fe", Modelling Simul. Mater. Sci. Eng. 20 045022 (2012).

    Sylvie Aubry, Steve Fitzgerald, Sergei Dudarev and Wei Cai, "Equilibrium shapes of dislocation shear loops in anisotropic alpha-Fe", Modelling and Simulation in Materials Science and Engineering, 19, 065006 (2011).

    Sylvie Aubry, Seunghwa Ryu, Keonwook Kang and Wei Cai, "Energy Barrier for Homogeneous Dislocation Nucleation: Comparing Atomistic and Continuum Mechanics Models", Scripta Materialia, 64, 1043 (2011).

    Seok-Woo Lee, Sylvie Aubry, William D. Nix and Wei Cai, "Dislocation Junctions and Jogs in Free Standing Thin Films", Modelling and Simulation in Materials Science and Engineering, 19, 025002 (2011).

    Steve Fitzgerald, and Sylvie Aubry, "Self force on dislocation segments in anisotropic crystals", Journal of Physics: Condensed Matter, vol. 22, number 29, pp. 295403 (2010).
     

    X. W. Zhou, R. E. Jones, S. Aubry, , "Molecular dynamics prediction of thermal conductivity of GaN films and wires at realistic length scales", PRB 81, pp 155321 (2010).  This article has been selected for the May 10, 2010 issue of Virtual Journal of Nanoscale Science & Technology.
     

    X. W. Zhou, R. E. Jones, S. Aubry, , "Analytical law for size effects on thermal conductivity of nanostructures", PRB 81, pp. 073304 (2010).

    C. R. Weinberger, S. Aubry, S.-W. Lee, W. D. Nix and Wei Cai, Modelling Dislocations in a Free-Standing Thin Film, Modelling and Simulation in Materials Science and Engineering, 17 p. 075007-075034 (2009)  MSMSE site

     

    C. R. Weinberger, S. Aubry, S.-W. Lee and Wei Cai, Dislocation Dynamics Simulations in a Cylinder, Proceedings of the Dislocations 2008 International Conference, IOP Conference Series: Materials Science and Engineering (2009).

     

    X. W. Zhou, S. Aubry, R. E. Jones, A. Greenstein, and P. Schelling, Towards More Accurate Molecular Dynamics Calculation of Thermal Conductivity. Case Study: GaN Bulk Crystals, Phys. Rev. B, 79, p.115201-115218 (2009).

     

    S. Aubry, C. Kimmer, A. Skye, P. Schelling, Comparison of theoretical and simulation-based predictions of grain-boundary Kapitza conductance in silicon, Phys. Rev. B, 78, p. 064112-064120 (2008).
     

    S. Aubry, C. Kimmer, A. Skye, P. Schelling, Phonon-Mediated Thermal Transport in Microsystems. Sandia Report (2007) 

    C. Kimmer, S. Aubry, A. Skye, P. Schelling, Scattering of phonons from high-energy grain boundary in silicon: Dependence on angle of incidence., Phys. Rev. B, 75, 14, p. 144104-144111 (2007) 

     

    S. Aubry, Darcy Hughes, Reductions in stacking faults width in FCC metals: Empirical calculations, Phys. Rev. B, 73, 1, p.1-15(2006) 
     

    S. Aubry, D. Bammann, J. Hoyt, R. Jones, C. Kimmer, P. Klein, G. Wagner, E. Webb, E. Blackburn, J. Zimmerman,, A robust coupled approach for atomistic-continuum simulation, Sandia Report, SAND2004-4778 (2004)
     

    S. Aubry, M. Ortiz, The Mechanics of Deformation-Induced Subgrain Dislocation Structures in Metallic Crystals at Large Strains, Proceedings of the Royal Society of London Series A-Mathematical Physical and Engineering Sciences, v.459, no.2040, p.3131-3158 (2003).
     

    S. Aubry, M. Fago, M. Ortiz, A Constrained Sequential-Lamination Algorithm for the Simulation of Sub-Grid Microstructure in Martensitic Materials, Computer Methods in Applied Mechanics and Engineering, Volume 192, Issue 26-27, pp 2823-2843 (2003).

    S. Aubry, M. Ortiz, Variational Methods in Non-Convex Plasticity, IUTAM Symposium on Computational Mechanics of Solid Materials at Large Strains, edited by C. Miehe, Kluwer Academic Publishers (2003).

     

    G. Allaire, S. Aubry, F. Jouve, EigenFrequency Optimization in Optimal Design, Comput. Methods Appl. Mech. Engrg. 190, pp.3565-3579 (2001).
     

    G. Allaire, S. Aubry, F. Jouve, Shape Optimization with general objective functions using partial relaxation, Topology optimization of structures and composite continua, G.I.N. Rozvany and N. Olhoff eds., pp.239-249, Kluwer Academic Publishers (2000).
     

    G. Allaire, S. Aubry, On optimal microstructures for a plane shape optimization problem, Structural Optimization, vol. 17, pp. 86-94, Springer-Verlag (1999).
     

    G. Allaire, S. Aubry, F. Jouve, Numerical study of damage in elasticity according to Francfort-Marigo's model, in French, Actes du 29ème congrés d'analyse numérique, ESAIM Proceedings, vol. 3, pp.1-9 (1998).
  • Winner of WCI Bronze medal, 2019
  • Winner of the Seymour Cray Prize in numerical simulation, 199