Publications - Center for Large-Scale Scientific Simulations

Benzerga

A. Lodh, T. N. Tak, A. Prakash, P. J. Guruprasad, S. M. Keralavarma, A. A. Benzerga,
C. Hutchinson, and I. Samajdar. Microstructural origin of residual stress relief in aluminum. Metallurgical and Materials Transactions A., 50(11):5038–5055, 2019. 1
A.A. Benzerga, N. Thomas, and J. S. Herrington. Plastic flow anisotropy drives shear fracture. Scientific Reports, 9: Art. No. 1425, 2019.
A.A. Benzerga. On the structure of poroplastic constitutive relations”, J. Mech. Phys. Solids, 178:105344, 2023
A. Cruzado, M. Nelms, A.A. Benzerga. Effect of non-uniform void distributions on the yielding of metals. To be submitted to Computer Methods in Applied Mechanics and Engineering.
A. Cruzado, A.A. Benzerga. On yielding under pressure. In preparation.
A. Cruzado, A.A. Benzerga. Clustering effect on the yielding of metals. In preparation.

Arroyave

Attari, V. and Arróyave, R., 2020. Phase-field Study of Thermomigration in 3DIC Micro Interconnects. IEEE Transactions on Components, Packaging and Manufacturing Technology.
Duong, T.C., Hackenberg, R.E., Attari, V., Landa, A., Turchi, P.E. and Arróyave, R., 2020. Investigation of the discontinuous precipitation of U-Nb alloys via thermodynamic analysis and phase-field modeling. Computational Materials Science, 175, p.109573.
Attari, V., Cruzado, A. and Arróyave, R., 2019. Exploration of the microstructure space in tialzrn ultra-hard nanostructured coatings. Acta Materialia, 174, pp.459-476.
Karayagiz, K., Johnson, L., Seede, R., Attari, V., Zhang, B., Huang, X., Ghosh, S., Duong, T., Karaman, I., Elwany, A. and Arróyave, R., 2020. Finite interface dissipation phase field modeling of Ni–Nb under additive manufacturing conditions. Acta Materialia, 185, pp.320-339.
Duong, T.C., Hackenberg, R.E., Attari, V., Landa, A., Turchi, P.E. and Arróyave, R., 2020. Investigation of the discontinuous precipitation of U-Nb alloys via thermodynamic analysis and phase-field modeling. Computational Materials Science, 175, p.109573.
Attari, V., Cruzado, A. and Arróyave, R., 2019. Exploration of the microstructure space in tialzrn ultra-hard nanostructured coatings. Acta Materialia, 174, pp.459- 476.
Karayagiz, K., Johnson, L., Seede, R., Attari, V., Zhang, B., Huang, X., Ghosh, S., Duong, T., Karaman, I., Elwany, A. and Arróyave, R., 2020. Finite interface dissipation phase field modeling of Ni–Nb under additive manufacturing conditions. Acta Materialia, 185, pp.320-339.
Huang, Xueqin, Joel Berry, Aurélien Perron, and Raymundo Arróyave. “A comparative study of Kim-Kim-Suzuki (KKS), Partition Coefficient Relaxation (PCR), and Finite Interface Dissipation (FID) phase field models for rapid solidification.” Additive Manufacturing 74 (2023): 103704.
Huang, X., Berry, J., Perron, A. and Arróyave, R., 2023. A comparative study of Kim-Kim-Suzuki (KKS), Partition Coefficient Relaxation (PCR), and Finite Interface Dissipation (FID) phase field models for rapid solidification. Additive Manufacturing, 74, p.103704.

Guermond/Popov

Jean-Luc Guermond; Bojan Popov; Laura Saavedra, “High-order invariant domain preserving ALE approximation of hyperbolic systems.” J. Comput. Phys. 401, (2020), 108927.
Jean-Luc Guermond; Bojan Popov; Ignacio Tomas, “Invariant domain preserving discretization-independent schemes and convex limiting for hyperbolic systems”, Comput. Methods Applied Mech. Engin.,347 (2019) 143–175. url: https://doi.org/10.1016/j.cma.2018.11.036.
J.-L. Guermond; B. Popov; E. Tovar; C. Kees, Robust explicit relaxation technique for solving the Green-Naghdi equations, J. Comput. Phys. 339, (2019), 108917.
Jean-Luc Guermond; Christian Klingenberg; Bojan Popov; Ignacio Tomas, The Suliciu approximate Riemann solver is not invariant domain preserving, Journal of Hyperbolic Differential Equations, 16:01 (2019) 59–72.
Jean-Luc Guermond; Bojan Popov; Laura Saavedra; Yong Yang; Arbitrary Lagrangian-Eulerian Finite Element Method Preserving Convex Invariants of Hyperbolic Systems, in Contributions to Partial Differential Equations and Applications, Chetverushkin, B. N., Fitzgibbon, W., Kuznetsov, Y.A. Neittaanmki, P.,Periaux, J., Pironneau, O., Eds., Springer International Publishing, (2019) 251–272.
J.-L. Guermond; M. Quezada de Luna; B. Popov; C. Kees, M. Farthing, “Well-balanced second-order finite element approximation of the shallow water equations with friction”, SIAM J. Sci. Comput., 40:6 (2018), A3873-A3901.
Jean-Luc Guermond; Murtazo Nazarov; Bojan Popov; Ignacio Tomas, “Second-order invariant domain preserving approximation of the Euler equations using convex limiting”, SIAM J. Sci. Comput., 40 (2018), no. 5, A3211–A3239. url: https://doi.org/10.1137/17M1149961.
Jean-Luc Guermond; Bojan Popov; Laura Saavedra; Yong Yang, “Invariant domains preserving arbitrary Lagrangian Eulerian approximation of hyperbolic systems with continuous finite elements.” SIAM J. Sci. Comput., 39 (2017), no. 2, A385–A414.
Jean-Luc Guermond; Bojan Popov, “Invariant domains and second-order continuous finite element approximation for scalar conservation equations.” SIAM J. Numer. Anal. 55 (2017), no. 6, 3120–3146.
P. Azerad; J.-L. Guermond; B. Popov, “Well-balanced second-order approximation of the shallow water equation with continuous finite elements”, SIAM J. Numer. Anal. 55:6 (2017) 3203–3224.
J.-L.Guermond; M. Quezada de Luna; T. Thompson, A conservative anti-diffusion technique for the level set method, J. Comput. Appl. Math, 321 (2017) 448–468.
B. Clayton, J.-L. Guermond, B. Popov, Invariant domain preserving approximations for the Euler equations with tabulated equation of state, SIAM J. Sci. Comput., 44, 1 (2022) 444-470.
J.-L. Guermond, B. Popov, I. Thomas, Second-order invariant domain preserving approximation of the compressible Navier-Stokes equations, Comput. Methods Appl. Mech. Engrg. 375 (2021), 113608, 17 pp.
J.-L. Guermond, M. Kronbichler, M. Maier, B. Popov, On the implementation of a robust and efficient finite element based parallel solver for the compressible Navier-Stokes equations, Comput. Methods Appl. Mech. Engrg. 389 (2022) Paper no. 114250, 26 pp.
A. Ern, J.-L. Guermond, Invariant domain preserving high-order time stepping: I. Explicit Runge-Kutta schemes, SIAM J. Sci. Comput., 5(2022) A3366-A3392.
A. Ern, J.-L. Guermond, Invariant-domain preserving high-order time stepping: II. IMEX schemes, SIAM J. Sci. Comput., 45 (2023) A2511-A2538.
B. Clayton, J.-L. Guermond, M. Maier, B. Popov, Robust second-order approximation of the compressible Euler equations with arbitrary equation of state, J. Comput. Phys.,478, 2023, 111926, 21 pages.
J.-L. Guermond, M. Nazarov, B. Popov, Finite element-based invariant-domain preserving approximation of hyperbolic systems: Beyond second-order accuracy in space, Computer Methods in Appl. Math. and Engin., 418, Part A, 1 January 2024, 116470.
J.-L. Guermond, B. Popov, L, Saavedra, Second-order invariant domain preserving ALE approximation of Euler equations, Communications on Applied Mathematics and Computation, 5 (2), (2023) 923–945.
J.-L. Guermond, M. Maier, B. Popov, L. Saavedra, I. Tomas, Greedy invariant-domain preserving approximation for hyperbolic systems, J. Sci. Comput. (2023) Submitted.
J.-L. Guermond, B. Popov, L. Saavedra, M. Sheridan, Invariant-domain-preserving approximation of the Lagrangian hydrodynamics equations. In preparation.
J.-L. Guermond, M. Maier, B. Popov, L. Saavedra, I. Tomas, First-order greedy invariant-domain preserving approximation for hyperbolic problems: scalar conservation laws, and p-system, J. Sci. Comput. 100, (2024), no. 2, Paper No. 46, 26 pp.
J.-L. Guermond, B. Popov, L. Saavedra, M. Sheridan, Invariant-domain preserving and locally mass conservative approximation of the Lagrangian hydrodynamics equations, Computer Methods in Applied Mechanics and Engineering, Vol. 441, June 1, 2025, 117927.

Morel

Peter G. Maginot, Jean C. Ragusa, Jim E. Morel, “Nonnegative Methods for Bilinear Discontinuous Differencing of the Sn Equations on Quadrilaterals,” Nuclear Science and Engineering, 185(1), 53-69 (2017).
Simon R. Bolding, Mathew A. Cleveland, Jim E. Morel, “A High-Order Low-Order Algorithm with Exponentially Convergent Monte Carlo for Thermal Radiative Transfer,” Nuclear Science and Engineering, 185(1), 159-173 (2017).
Jim E. Morel, James S. Warsa, Brian C. Franke, Anil K. Prinja, “A Comparison of Two Galerkin Quadrature Methods,” Nuclear Science and Engineering, 185(2), 325-334. (2017).
Simon Bolding, Joshua Hansel, Jarrod D. Edwards, Jim E. Morel, Robert B. Lowrie, “Second-Order Discretization in Space and Time for Radiation-Hydrodynamics,” Journal of Computational Physics, 338, 511-526 (2017).
J.M. Ferguson, J.E. Morel, R.B. Lowrie, “Nonrelativistic Grey Sn-Transport Radiative-Shock Solutions,” High Energy Density Physics, 23, 95-114 (2017).
J.M. Ferguson, J.E. Morel, R. Lowrie, “The Equilibrium-Diffusion Limit for Radiation Hydrodynamics,” Journal of Quantitative Spectroscopy and Radiative Transfer, 202, 176-186 (2017).
Samuel S. Olivier and Jim E. Morel, “Variable Eddington Factor Method for the Sn Equations with Lumped Discontinuous Galerkin Spatial Discretization Coupled to a Drift-Diffusion Acceleration Equation with Mixed Finite-Element Discretization,” Journal of Computational And Theoretical Transport, 46(6-7), 480-496 (2017).
Jijie Lou, Jim E. Morel, and N. A. Gentile, “A Variable Eddington Factor Method for the 1-D Grey Radiative Transfer Equations With Discontinuous Galerkin and Mixed Finite-Element Spatial Differencing,” Journal of Computational Physics, 393, 258-277 (2019).
Andrew T. Till, James S. Warsa, Jim E. Morel, “Application of Linear Multifrequency-Grey Acceleration to Preconditioned Krylov Iterations for Thermal Radiation Transport,” Journal of Computational Physics, 372(1), 931-955 (2018).
Zachary K. Hardy, Jim E. Morel, Cory Ahrens, “Dynamic Mode De- composition for Subcritical Metal Systems,” Nuclear Science and Engineering, 193, 1173-1185 (2019).
Joshua Hanophy, Ben Southworth, Ruipeng Li, Tom Manteuffel, Jim Morel, “Parallel Approximate Ideal Restriction Multigrid for Solving the Sn Transport Equations,” Nuclear Science and Engineering, 194, 989-1008 (2020).
Andrew T. Till, Kendra P. Long, James S. Warsa, Jim E. Morel, “Formulations and Analysis of Compton Scattering for Deterministic Thermal Radiation Transport,” Journal of Computational Physics, 400, (2020).
https://doi.org/10.1016/j.jcp.2019.108990
Jan I.C. Vermaak, Jean C. Ragusa, Marvin L. Adams, Jim E. Morel, “Massively Parallel Transport Sweeps on Meshes with Cyclic Dependencies,” Journal of Computational Physics, 425, (2020).
https://doi.org/10.1016/j.jcp.2020.109892
Jijie Lou and Jim E. Morel, “A Variable Eddington Factor Method with Different Spatial Discretizations for the Radiative Transfer Equation and the Hydrodynamics/Radiation-Moment Equations,” Journal of Computational Physics, 439, (2021).
https://doi.org/10.1016/j.jcp.2021.110393
Andrew T. Till, Marvin L. Adams, Jim E. Morel, “The Finite-Element with Discontinguous Support Method,” Nuclear Science and Engineering, 196, 53-74 (2022).
Jan I.C. Vermaak and Jim E. Morel, “Transport Error Estimation Using Residual Monte Carlo,” it Journal of Computational Physics, 464, (2022).
https://doi.org/10.1016/j.jcp.2022.111306
Emerson Shands, Joshua Hanophy, Jim E. Morel, “A Modified Sn Method for Calculating the Uncollided Flux from a Point Source Without Ray Effects,” Journal of Computational Physics, 488, (2023).
https://doi.org/10.1016/j.jcp.2023.112217
Zachary K. Hardy and Jim E. Morel, “Proper Orthogonal Decomposition Mode Coefficient Interpolation: A Non-Intrusive Reduced-Order Model for Parametric Reactor Kinetics,” Nuclear Science and Engineering, (2023).
https://doi.org/10.1080/00295639.2023.2218581
Connor Woodsford, James Tutt, and Jim E. Morel, “A Variant of the Second-Moment Method for k-Eigenvalue Calculations,” Nuclear Science and Engineering, 128(11) 2148–2156 (2024).
https://doi.org/10.1080/00295639.2024.2303107
Jim E. Morel, “Diffusion Asymptotics With Fully Anisotropic Source and Scattering,” Journal of Computational and Theoretical Transport, 53(6) 463–467 (2024).
https://doi.org/10.1080/23324309.2024.2368507
Emerson W. Shands, Jim E. Morel, Cory D. Ahrens, and Brian C. Franke, “A New Galerkin Quadrature Method Not Requiring a Matrix Inverse,” Nuclear Science and Engineering, 199(5) 854–871 (2025).
https://doi.org/10.1080/00295639.2024.2385220
Zachary K. Hardy, Jim E. Morel, Jan I.C. Vermaak, “A Second Moment Method for k-Eigenvalue Acceleration with Continuous Diffusion and Discontinuous Transport Discretizations,” Nuclear Science and Engineering, 199(4), 599–612 (2024).
https://doi.org/10.1080/00295639.2024.2384223
M.A. Larsen, S. Bolding, T. Palmer, J. Morel, “A Residual Monte Carlo Algorithm for Continuous Energy Neutron Transport with Elastic Scattering,” Nuclear Science and Engineering, 200(3), 525–538 (2025).
https://doi.org/10.1080/00295639.2025.2495608
D. Andrs, Z. Hardy, J. Morel, D. Nguyen, J. Ragusa, “OpenSn: A Massively Parallel Open Source Simulation Environment for Discrete Ordinates Radiation Transport, Computer Physics Communications, 320 (2025).
https://doi.org/10.1016/j.cpc.2025.110001
Connor Woodsford, Jean C. Ragusa (TAMU), Jim E. Morel, “Sweep-Based Uncollided-Flux Treatment On Unstructured Grids,” M&C 25 – The International Conference on Mathematics and Computational Methods Applied to Nuclear Science and Engineering, Denver, Colorado, April 27-30, 2025.

Ragusa

Quincy A. Huhn, Mauricio E. Tano & Jean C. Ragusa (2023): Physics-Informed Neural Network with Fourier Features for Radiation Transport in Heterogeneous Media, Nuclear Science and Engineering,
https://doi.org/10.1080/00295639.2023.2184194
Quincy A. Huhn, Mauricio E. Tano, Jean C. Ragusa, Youngsoo Choi (2023): Parametric dynamic mode decomposition for reduced order modeling, Journal of Computational Physics 475 (2023) 111852.
https://doi.org/10.1016/j.jcp.2022.111852