Publications

Journal Articles

• Finite-temperature grain boundary properties from quasistatic atomistics [pdf] [bibtex]
  M Spinola, S Saxena, P Gupta, B Runnels*, D Kochmann*
  arXiv Preprint (2024)
• A fully-coupled mechanics and regression model for deflagration of ‘solid composite propellants with realistic microstructure [pdf] [bibtex]
  M Meier, B Runnels*
  engrXiv Preprint (2024)
• Facet and energy predictions in grain boundaries: lattice matching and molecular dynamics [pdf] [bibtex]
  B Dobrovolski, C Braxton Owens, Gus L W Hart, E Homer, B Runnels*
  arXiv Preprint (2024)
• An atomistic survey of shear coupling in asymmetric tilt grain boundaries and interpretation using the disconnections framework [bibtex]
  H Joshi, I Chesser, B Runnels, N Admal*
  Submitted (2024)
• Grain boundary network plasticity: reduced-order modeling of deformation-driven shear-coupled microstructure evolution   [pdf] [bibtex]
  D Bugas, B Runnels*
  Journal of the Mechanics and Physics of Solids (2024)
• Diffuse interface method for solid composite propellant ignition and regression [pdf] [bibtex]
  M Meier, EM Schmidt, P Martinez, JM Quinlan, B Runnels*
  Combustion and Flame (2024)
• Robust, strong form mechanics on an adaptive structured grid: efficiently solving variable-geometry near-singular problems with diffuse interfaces [pdf] [bibtex]
  V Agrawal, B Runnels*
  Computational Mechanics (2023)
• Automated determination of grain boundary energy and potential-dependence using the OpenKIM framework [pdf] [bibtex]
  B Waters, D Karls, I Nikiforov, R Elliott, E Tadmor, B Runnels*
  Computational Materials Science (2023)
• Self-similar diffuse boundary method for phase boundary driven flow [pdf] [bibtex]
  EM Schmidt, JM Quinlan, B Runnels*
  Physics of Fluids (2022) Invited
• Comparison of evolving interfaces, triple points, and quadruple points for discrete and diffuse interface methods [pdf] [bibtex]
  E Eren*, B Runnels, J Mason
  Computational Materials Science (2022)
• A diffuse interface method for solid-phase modeling of regression behavior in solid composite propellants [pdf] [bibtex]
  B Kanagarajan, JM Quinlan, B Runnels*
  Combustion and Flame (2022)
• Interface History on Strain Field Evolution in Epoxy Resins [bibtex]
  J Strutton, N Moser, EJ Garboczi, A Jennings, B Runnels, JM McCollum*
  ACS Applied Polymer Materials (2022)
• A taxonomy of grain boundary migration mechanisms via displacement texture characterization [pdf] [bibtex]
  I Chesser*, B Runnels, E Holm
  Acta Materialia (2022)
• Multiphase field modeling of grain boundary migration mediated by emergent disconnections [pdf] [bibtex]
  M Gokuli, B Runnels*
  Acta Materialia (2021)
• Block structured adaptive mesh refinement and strong form elasticity approach to phase field fracture with applications to delamination, crack branching and crack deflection [pdf] [bibtex]
  V Agrawal*, B Runnels
  Computer Methods in Applied Mechanics and Engineering (2021)
• Optimal transportation of grain boundaries: A forward model for predicting migration mechanisms [pdf] [bibtex]
  I Chesser, E Holm, B Runnels*
  Acta Materialia (2021)
• Massively parallel finite difference elasticity using a block-structured adaptive mesh refinement with a geometric multigrid solver [pdf] [bibtex]
  B Runnels*, V Agrawal, W Zhang, A Almgren
  Journal of Computational Physics (2021)
• Experimental and numerical investigation into mechanical degradation of polymers [bibtex]
  A Celestine*, V Agrawal, B Runnels
  Composites Part B: Engineering (2020)
• Phase field disconnections: A continuum method for disconnection-mediated grain boundary motion [pdf] [bibtex]
  B Runnels*, V Agrawal
  Scripta Materialia (2020)
• A continuum thermodynamic framework for grain boundary motion [pdf] [bibtex]
  I Chesser, T Yu, C Deng, E Holm, B Runnels*
  Journal of the Mechanics and Physics of Solids (2020)
• A new approach for phase field modeling of grain boundaries with strongly nonconvex energy [pdf] [bibtex]
  JG Ribot, V Agrawal, B Runnels*
  Modelling and Simulation in Materials Science and Engineering (2019)
• Determination of minimal energy facet structures in Sigma3 and Sigma9 grain boundaries: experiment and simulation [pdf] [bibtex]
  AC Leff, B Runnels*, A Nye, ML Taheri, IJ Beyerlein
  Materialia (2019)
• A projection-based reformulation of the coincident site lattice Sigma for arbitrary bicrystals at finite temperature [pdf][commentary] [bibtex]
  B Runnels*
  Acta Crystallographica A (2017) Cover
• A relaxation method for the energy and morphology of grain boundaries and interfaces [pdf] [bibtex]
  B Runnels, IJ Beyerlein, S Conti, M Ortiz*
  Journal of the Mechanics and Physics of Solids (2016)
• An analytical model of interfacial energy based on a lattice-matching interatomic energy [pdf] [bibtex]
  B Runnels, IJ Beyerlein, S Conti, M Ortiz*
  Journal of the Mechanics and Physics of Solids (2016)

Conference Papers

• A Diffuse Interface Approach to Modeling Acoustic Wave-Droplet Interactions
  S Patel, J Griffin, E Schmidt, B Runnels, JM Quinlan
  AIAA SciTech (2024)
• A Diffuse Interface Model for Viscous Compressible Flow through Eroding Porous Media
  E Schmidt, M Meier, JM Quinlan, B Runnels
  AIAA SciTech (2024)
• Computational determination of particle size and geometry effects in solid composite propellants using the phase field method
  M Meier, JM Quinlan, B Runnels
  AIAA SciTech (2024)
• Modeling Optimization of Stencil Computations Via Domain-level Properties
  B Nesterenko, Q Yi, PH Lin, C Liao, D. Quinlan, B Runnels
  PMAM 2022 (2022)
• Phase field modeling of solid phase AP/HTPB to determine the effect of particle distribution on regression rate
  B Kanagarajan, JM Quinlan, B Runnels
  AIAA SciTech (2022)
• A Diffuse Interface Method for the Coupling of Solid and Gaseous Phases in a 1D Verification Problem for Combustion of AP/HTPB
  E Schmidt, J.M Quinlan, Brian Bojko, B Runnels
  AIAA SciTech (2022)
• Design, development, and assembly of sub-orbital space flight structural health monitoring experiment
  W Reiser, B Runnels, C White, A Light-Marquez, A Zagrai, D Siler, S Marinsek, A Murray, S Taylor, G Park, C Farrar, R Sansom
  SPIE Conference Proceedings (2012)

Presentations

• Grain boundary plasticity: defects to continuum modeling
  Invited Talk – Keynote,Internaional Conference on Plasticity, Damage, and Fracture, Panama City, Panama, 1/6/2024
• Modeling Solid Rocket Motors: condensed phase mechanics simulations at the mesoscale
  Seminar,University of Iowa Mechanical Engineering Seminar, Iowa City, IA, 10/12/2023
• Grain boundary network plasticity: Multiscale modeling of deformation-driven microstructure evolution
  Contributed Talk,SES 2023, Minneapolis, MN, 10/10/2023
• Predicting damage initiation with computer vision
  Invited Talk,SES 2023, Minneapolis, MN, 10/9/2023
• The mechanics of grain boundaries and microstructure evolution: Exploring the phenomenon of grain boundary migration, from atoms to twins
  Seminar,Iowa State MSE Seminar, Ames, IA, 10/2/2023
• Modeling solid rocket motors: condensed phase mechanics simulations at the mesoscale
  Seminar,New Mexico Tech Seminar, Socorro, NM, 4/25/2023
• Predicting damage initiation with computer vision
  Invited Talk,MRS 2023, San Francisco, CA, 4/11/2023
• Simulating solid rocket propellants at the mesoscale
  Seminar,CCSE Seminar, Berkeley, CA, 4/10/2023
• Modeling the burn behavior of solid composite propellants for rocket propulsion
  Seminar,BYU Mechanical Engineering Seminar, Provo, UT, 4/2/2023
• The mechanics of grain boundaries and microstructure evolution
  Seminar,EPFL Seminar, Lausanne, Switzerland, 3/21/2023
• Simulating solid rocket propellants at the mesoscale
  Seminar,IMES Seminar, ETH Zürich, Zürich, Switzerland, 3/10/2023
• The mechanics of grain boundaries and microstructure evolution
  Seminar,TU Dresden Seminar, Dresden, Germany, 3/2/2023
• The mechanics of grain boundaries and microstructure evolution
  Seminar,Mechanics and Materials Seminar, ETH Zürich, 2/23/2023
• A Self-Similar Diffuse Interface Method for a Rotating Ablating Cylinder
  Contributed Talk,APS Fluids, Indianapolis, IN, 11/22/2022
• Network Plasticity:A Mesoscale-to-Continuum Model for Grain Boundary Mediated Plasticity
  Invited Talk,SES 2022, College Station, TX, 10/18/2022
• Shear Coupled Microstructure Evolution with Phase Field Emergent Disconnections
  Contributed Talk,MMM 2022, Baltimore, MD, 10/4/2022
• Phase Field Emergent Disconnections in Grain Boundary Migration
  Contributed Talk,USNC/TAM 2022, Austin, TX, 6/24/2022
• Network Plasticity: a Mesoscale-to-Continuum Model for Grain Boundary Mediated Plasticity
  Contributed Talk,USNC/TAM 2022, Austin, TX, 6/23/2022
• Phase Field Modeling of Regression Rates and Morphology in Solid Composite Propellants
  Contributed Talk,USNC/TAM 2022, Austin, TX, 6/22/2022
• Emergent Disconnections in Phase Field Microstructure: Modeling Complex Boundary Migration at the Mesoscale
  Contributed Talk,TMS 2022, Anaheim, CA, 2/28/2022
• Simulating solid rocket motor composite propellants at the mesoscale
  Seminar,UCCS Physics Seminar, Colorado Springs, CO, 2/25/2022
• Simulating solid rocket motor composite propellants at the mesoscale
  Seminar,Auburn Aerospace Engineering Seminar, Virtual, 9/10/2021
• Phase field emergent disconnections: Exploring complex grain boundary migration from the mesoscale perspective
  Contributed Talk,USNCCM 2021, Virtual, 7/26/2021
• Microstructure evolution in polycrystalline metals: from optimal transportation to phase field disconnections
  Seminar,Indian Institute of Science Seminar, Bangalore, India, 3/31/2021
• Quantifying potential dependence of grain boundary properties using OpenKIM
  Invited Talk,Society of Engineering Science Annual Technical Meeting, Virtual, 9/30/2020
• Unifying mechanisms of grain boundary migration through a continuum thermodynamic framework: Applying insights from crystal plasticity to microstructure evolution
  Seminar,Auburn University Aerospace Engineering Seminar, Auburn, AL, 1/24/2020
• Unifying mechanisms of grain boundary migration through a continuum thermodynamic framework: Applying insights from crystal plasticity to microstructure evolution
  Seminar,CU Boulder Aerospace Engineering Seminar, Boulder, CO, 11/1/2019
• Unifying mechanisms of grain boundary migration through a continuum thermodynamic framework: Applying insights from crystal plasticity to microstructure evolution
  Seminar,UC Santa Barbara Mechanical Engineering Seminar, Santa Barbara, CA, 10/21/2019
• Unifying mechanisms of grain boundary migration through a continuum thermodynamic framework
  Invited Talk,USACM Thematic Workshop on Recent Advances in the Modeling and Simulation of the Mechanics of Nanoscale Materials, Philadelphia, PA, 8/22/2019
• Mesoscale Modeling and Simulation of Microstructure Evolution Driven by Strong Anisotropic Grain Boundary Energy and Mobility
  Contributed Talk,USNCCM 2019, Austin, TX, 7/30/2019
• Atomistic to Continuum Modeling of Metalized Polyvinylidene Fluoride with Aluminum Nanoparticles
  Contributed Talk,TMS 2019, San Antonio, TX, 3/12/2019
• The effect of strong anisotropic grain boundary energy on microstructure formation and evolution: mesoscale modeling and simulation
  Contributed Talk,TMS 2019, San Antonio, TX, 3/12/2019
• Solid mechanics applications with AMReX: Simulating microstructure evolution in metals, solid burn in energetics, and degradation in polymers
  Invited Talk,SIAM CSE, Spokane, WA, 2/25/2019
• The effect of strong anisotropic grain boundary energy and mobility on microstructure formation and evolution: mesoscale modeling and simulation
  Seminar,Colorado State University Mechanical Engineering Seminar, Ft Collins, CO, 2/19/2019
• The effect of strong anisotropic grain boundary energy and mobility on microstructure formation and evolution: mesoscale modeling and simulation
  Seminar,UC Davis Materials Science Seminar, Davis, CA, 1/15/2019
• The effect of strong anisotropic grain boundary energy and mobility on microstructure formation and evolution: mesoscale modeling and simulation
  Invited Talk,MMM 2018, Osaka, Japan, 11/1/2018
• Phase field modeling of microstructure evolution with anisotropy and orientation dependence, informed by a realistic model for boundary energy
  Seminar,AFRL Wright Patterson Seminar, Dayton, OH, 7/9/2018
• Computational modeling of VDF composites
  Invited Talk,Fluoropolymer 2018, Denver, CO, 6/26/2018
• Phase field modeling of grain boundary migration with anisotropy and orientation dependence, informed by a realistic model for boundary energy
  Contributed Talk,USNC/TAM, Chicago, IL, 6/8/2018
• Phase Field Simulation of Microstructure Evolution Driven by Strong Grain Boundary Anisotropy Computed Using Realistic Models for Grain Boundary Energy
  Contributed Talk,TMS 2018, Phoenix, AZ, 3/12/2018
• How grain boundaries drive material behavior: from analytic modeling to microstructure evolution
  Seminar,Auburn University Aerospace Engineering Seminar, Auburn, AL, 10/23/2017
• How grain boundaries drive material behavior: from analytic modeling to microstructure evolution
  Seminar,Missouri S&T Mechanical Engineering Seminar, Rolla, MO, 10/19/2017
• Phase field simulation of microstructure evolution driven by grain boundary anisotropy – Kinetics of microfaceting with realistic boundary energy
  Contributed Talk,SES 2017, Boston, MA, 7/27/2017
• Lattice matching for predicting anisotropic grain boundary properties…towards grain boundary engineering for designed microstructure
  Contributed Talk,TMS 2017, San Diego, CA, 2/27/2017
• Modeling and simulation of grain boundary anisotropy-driven mechanics in fcc and bcc materials
  Contributed Talk,SES 2016, College Park, MA, 10/4/2016
• Modeling grain boundaries in metals with optimal transportation theory, calculus of variations, and the phase field method
  Seminar,Colorado State University Mathematics Seminar, Ft Collins, CO, 9/15/2016
• Modeling anisotropic grain boundary energy and morphology in cubic crystals with applications to microstructural evolution
  Contributed Talk,EMI/PMC 2016, Nashville, TN, 5/24/2016
• A general and predictive model of anisotropic grain boundary energy and morphology
  Contributed Talk,TMS 2016, Nashville, TN, 2/16/2016
• A general and predictive model of anisotropic grain boundary energy and morphology for polycrystal-level simulations
  Seminar,Vanderbilt Mechanical Engineering Seminar, Nashville, TN, 2/15/2016
• Modeling grain boundary energy anisotropy with applications to morphology and computational microstructural evolution
  Seminar,University of Minnesota Solid Mechanics Seminar, Minneapolis, MN, 12/1/2015
• A new model for the energy and morphology of grain boundaries and interfaces
  Contributed talk,IMECE 2015, Houston, TX, 11/15/2015
• Modeling grain boundary energy anisotropy with applications to morphology and computational microstructural evolution
  Seminar,Colorado School of Mines Mechanical Engineering Seminar, Golden, CO, 11/1/2015
• A new model for anisotropic grain boundaries: a geometric and variational approach for predicting energy and morphology
  Contributed Talk,SES 2015, College Station, TX, 10/1/2015
• Temperature-dependent modeling of grain boundary energy anisotropy and applications to interface morphology
  Invited Talk,American Physical Society – Four Corners Annual Meeting, Phoenix, AZ, 10/1/2015
• A fast, general, predictive model for grain boundary energy anisotropy with applications to morphology and computational microstructural evolution
  Seminar,CU Boulder Mechanical Engineering Seminar, Boulder, CO, 10/1/2015
• A variational approach to interfaces: a new method for predicting energy and morphology of grain boundaries
  Contributed talk,USNCCM 2015, San Diego, CA, 7/1/2015
• A variational approach to crystalline interfaces: a new method for predicting interface energy and morphology
  Seminar,CU Boulder Mechanical Engineering Seminar, Boulder, CO, 10/1/2014
• A relaxation method for predictively determining interface morphology
  Contributed talk,SES 2014, Lafeyette, IN, 10/1/2014
• A general geometric model for interface energy
  Contributed talk,United States National Congress on Theoretical and Applied Mechanics, East Lansing, MI, 6/1/2014
• An analytical model for predicting energy and morphology of arbitrary crystal interfaces
  Seminar,New Mexico Tech Mechanical Engineering Seminar, Socorro, NM, 9/24/2013
• Modeling of thermally-activated dislocation cross-slip
  Contributed talk,Los Alamos National Laboratory Student Seminar, Los Alamos, NM, 8/8/2012