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2018-2013

2018

  1. Chen, X., Diaz, A., Xiong, L., McDowell, D.L., and Chen, Y., “Passing Waves from Atomistic to Continuum,” Journal of Computational Physics, Vol. 354, 2018, pp. 393-402.
  2. Xu, S., Rigelesaiyin, J., Xiong, L., Chen, Y., and McDowell, D.L., “Generalized Continua Concepts in Coarse-Graining Atomistic Simulations,” Springer Special Volume in Memoriam to Prof. G. Maugin, 2018, pp. 237-260. Springer International Publishing AG, H. Altenbach et al. (eds.), Generalized Models and Non-classical Approaches in Complex Materials 2, Advanced Structured Materials 90, https://doi.org/10.1007/978-3-319-77504-3_12.
  3. Xu, S., Payne, T.G., Chen, H., Liu, Y., Xiong, L. Chen, Y. and McDowell, D.L., “pyCAC: The Concurrent Atomistic-Continuum Simulation Environment,” MRS Journal of Materials Research, focus issue on Advanced Atomistic Algorithms in Materials Science 33(7), 2018, pp. 857-871.
  4. Diaz, A., McDowell, D.L., and Chen, Y., “The Limitations and Successes of Concurrent Dynamic Multiscale Modeling Methods at the Mesoscale,” Chapter 3, Springer Special Volume in Memoriam to Prof. G. Maugin, 2018, pp. 55-77, Springer International Publishing AG, H. Altenbach et al. (eds.), Generalized Models and Non-classical Approaches in Complex Materials 2, Advanced Structured Materials 90, https://doi.org/10.1007/978-3-319-77504-3_3.
  5. Mayeur, J.R., McDowell, D.L., and Forest, S., “Micropolar Crystal Plasticity,” Handbook of Nonlocal Continuum Mechanics for Materials and Structures, edited by George Z. Voyiadjis, Springer International Publishing AG, 2018, doi:10.1007/978-3-319-22977-5_48-1.
  6. Paulson, N.H., Priddy, M.W., McDowell, D.L., and Kalidindi, S.R., “Data-Driven Reduced-Order Models for Ranking the High Cycle Fatigue Performance of Polycrystalline Microstructures,” Materials and Design, Vol. 154, No. 15, 2018, pp. 170-183.
  7. Castelluccio, G.M., Geller, C.B., and McDowell, D.L., “A Rationale for Modeling Hydrogen Effects on Plastic Deformation across Scales in FCC Metals,” International Journal of Plasticity, Vol. 111, 2018, pp. 72-84.

2017

  1. Xu, S., Xiong, L, Chen, Y., and McDowell, D.L., “Shear stress- and line length-dependent screw dislocation cross-slip in FCC Ni,” Acta Materialia, Vol. 122, 2017, pp. 412-419.
  2. Moore, A.P., Deo, C., Baskes, M.I., Okuniewski, M., and McDowell, D.L., “Understanding the Uncertainty of Interatomic Potentials’ Parameters and Formalism,” Computational Materials Science, Vol. 126, 2017, pp. 308-320.
  3. Ellis, B. and McDowell, D.L., “Application-specific computational materials design via multiscale modeling and the Inductive Design Exploration Method (IDEM),” IMMI Journal, 2017, DOI: 10.1007/s40192-017-0086-3.
  4. Hennessey, C., Castelluccio, G.M., and McDowell, D.L., “Sensitivity of Polycrystal Plasticity to Slip System Kinematic Hardening Laws for Al 7075-T6,” Materials Science and Engineering A, Vol. 687, 2017, pp. 241-248.
  5. Sobie, C., Capolungo, L., McDowell, D.L., and Martinez, E., “Modal Analysis of Dislocation Vibration and Reaction Attempt Frequency,” Acta Materialia, Vol. 134, No. 1, 2017, pp. 203-210.
  6. Paulson, N.H., Priddy, M.W., McDowell, D.L., and Kalidindi, S.R., “Reduced-Order Structure-Property Linkages for Polycrystalline Microstructures Based on 2-Point Statistics,” Acta Materialia, Vol. 129, 2017, pp. 428–438.
  7. Xu, S., Xiong, L., Chen, Y., and McDowell, D.L., “Comparing EAM Potentials to Model Slip Transfer of Sequential Mixed Character Dislocations Across Two Symmetric Tilt Grain Boundaries in Ni,” JOM, 69(5), 2017, 814-821.
  8. Xu, S., Startt, J.K., Payne, T.G., Deo, C.S., and McDowell, D.L., “Size- Dependent Plastic Deformation of Twinned Nanopillars in Body-Centered Cubic Tungsten,” J. Applied Physics, Vol. 121 (17), 2017, 175101.
  9. Xu, S., Xiong, L., Chen, Y., and McDowell, D.L., “Validation of the Concurrent Atomistics-Continuum Method on Screw Dislocation/Stacking Fault Interactions,” Crystals, Vol. 7, No. 5, 2017, p. 120.
  10. Chen, X., Xiong, L., McDowell, D.L., and Chen, Y., “Effects of Phonons on Mobility of Dislocations and Dislocation Arrays,” Scripta Materialia, Vol. 137, 2017, pp. 22-26.
  11. Sobie, C., Capolungo, L., McDowell, D.L., Martinez, E., “Scale Transition using Dislocation Dynamics and the Nudged Elastic Band Method,” Journal of the Mechanics and Physics of Solids, Vol. 105, 2017, pp. 161-178.
  12. Sobie, C., McDowell, D.L., Martinez, E., Capolungo, L., “Thermal Activation of Dislocations in Large Scale Obstacle Bypass,” Journal of the Mechanics and Physics of Solids, Vol. 105, 2017, pp. 150-160.
  13. Castelluccio, G.M and McDowell, D.L., “Mesoscale Cyclic Crystal Plasticity with Dislocation Substructures,” International Journal of Plasticity, Vol. 98, 2017, pp. 1-26.
  14. Huang, S., Chen, D., Song, J., McDowell, D.L., and Zhu, T., “Hydrogen embrittlement of grain boundaries in nickel: An atomistic study”, npj Computational Materials 3, 28, 2017.  doi:10.1038/s41524-017-0031-1.
  15. Priddy, M.W., Paulson, N.H., Kalidindi, S.R., and McDowell, D.L., “Strategies for Rapid Parametric Assessment of Microstructure-Sensitive Fatigue for HCP Polycrystals,” International Journal of Fatigue, Vol. 104, 2017, pp. 231-242.
  16. Kern, P.C., Priddy, M.W., Ellis, B.D., and McDowell, D.L., “pyDEM: A Generalized Implementation of the Inductive Design Exploration Method,” Materials & Design, Vol. 134, 2017, pp. 293-300.
  17. Chen, X., Li, W., Diaz, A., Li, Y., McDowell, D.L., Chen, Y., “Recent Progress in the Concurrent Atomistic-Continuum (CAC) Method and Its Application in Phonon Transport,” MRS Communications, Vol. 7, No. 4, 2017, pp. 785-797.
  18. Tallman, A., Swiler, L.P., Wang, Y., and McDowell, D.L., “Reconciled Top-down and Bottom-up Hierarchical Multiscale Calibration of bcc Fe Crystal Plasticity,” International Journal for Computer Methods in Engineering, 15(6), 2017, pp. 1–19.
  19. Li, W., Xiong, L., Yang, S., Zheng, Z., McDowell, D.L., and Chen, Y., “Ballistic-diffusive Phonon Heat Transport across Grain Boundaries,” Acta Materialia, Vol. 136, No. 1, 2017, pp. 355-365.

2016

  1. Pineau, A., Antolovich, S.D., McDowell, D.L., and Busso, E.P., “Failure of Metals II:  Fatigue,” Acta Materialia, Vol. 109, No. 1, 2016, pp. 484–507.
  2. Pluchino, P.A., Chen, X., Garcia, M., Xiong, L., McDowell, D.L., and Chen, Y., “Dislocation Migration across Coherent Phase Interfaces in SiGe Superlattices,” Computational Materials Science, Vol. 111, 2016, pp. 1-6.
  3. Castelluccio, G.M. and McDowell, D.L., “Microstructure-sensitive fatigue crack growth assessment: effect of strain ratios, multiaxial straining and geometric discontinuities,” International Journal of Fatigue, Vol. 82, 2016, pp. 521-529.
  4. Tschopp, M.A., Coleman, S.P., and McDowell, D.L., “Symmetric and Asymmetric Tilt Grain Boundary Structure and Energy in Cu and Al (and transferability to other FCC metals),” Integrating Materials and Manufacturing Innovation, 2015, 4:11, DOI 10.1186/s40192-015-0040-1.
  5. Xiong, L., Rigelesaiyin, J., Chen, X., Xu, S., McDowell, D.L., and Chen, Y., “Coarse-Grained Elastodynamics of Fast Moving Dislocations,” Acta Materialia, Vol. 104, 2016, pp. 143-155.
  6. Xu, S., Xiong, L., Chen, Y. and McDowell, D.L., “Sequential slip transfer of mixed character dislocations across Σ3 coherent twin boundary in FCC metals: A concurrent atomistic-continuum study,” npj Computational Materials 2, 15016, 2016, doi:10.1038/npjcompumats.2015.16.
  7. Zhou, X., Marchand, D., McDowell, D.L., Zhu, T. and Song, J., “Chemomechanical Origin of Hydrogen Trapping at Grain Boundaries in FCC Metals,” Physical Review Letters, Vol. 116, No. 7, 2016, p. 075502.
  8. Smith, B.D., Shih, D., and McDowell, D.L., “Fatigue Hot Spot Simulation for Two Widmanstätten Titanium Microstructures,” International Journal of Fatigue, Vol. 92, 2016, pp. 116-129.
  9. Patra, A. and McDowell, D.L., “Crystal Plasticity Investigation of the Microstructural Factors Influencing Dislocation Channeling in a Model Irradiated BCC Material,” Acta Materialia, Vol. 100, 2016, pp. 364-376.
  10. Xu, S., Xiong, L., Deng, Q., and McDowell, D.L., “Mesh Refinement Schemes for the Concurrent Atomistic-Continuum Method,” International Journal of Solids and Structures, Vol. 90, 2016, pp. 144-152.
  11. Musinski, W. and McDowell, D.L., “Simulating the effect of grain boundaries on microstructurally small fatigue crack growth from a FIB notch through a 3D array of grains,” Acta Materialia, Vol. 112, 2016, pp. 20-39.
  12. McDowell, D.L. and Kalidindi, S.R., “The Materials Innovation Ecosystem: A Key Enabler for the Materials Genome Initiative,” MRS Bulletin, Vol. 41, 2016, pp. 326-335.
  13. Castelluccio, G.M., Musinski, W.D., and McDowell, D.L., “Computational Micromechanics of Microstructures in the HCF-VHCF Regimes,” International Journal of Fatigue, Vol. 93(2), 2016, pp. 387-396.
  14. Xu, S., Xiong, L., Chen, Y. and McDowell, D.L., Edge dislocations bowing out from a row of collinear obstacles in Al, Scripta Materialia, Vol. 123, 2016, pp. 135-139.
  15. Weaver, J.S., Priddy, M.W., McDowell, D.L., and Kalidindi, S.R., “On Capturing the Elastic and Plastic Anisotropy of alpha-Ti in Titanium Alloys with Nanoindentation Experiments,” Acta Materialia, Vol. 117, 2016, pp. 23-34.
  16. Xu, S., Xiong, L, Chen, Y. and McDowell, D.L., “An Analysis of Key Characteristics of the Frank-Read Source Process in FCC Metals,” Journal of the Mechanics and Physics of Solids, Vol. 96, 2016, pp. 460-476.
  17. McDowell, D.L. and LeSar, R.A., “The Need for Microstructure Informatics in Process-Structure-Property Relations,” MRS Bulletin, Vol. 41, 2016, pp. 587-593.
  18. Kalidindi, S.R., Medford, A.J., and McDowell, D.L., “Vision for Data and Informatics in the Future Materials Innovation Ecosystem,” JOM, Vol. 68, No. 8, 2016, pp. 2126-2137.

2015

  1. Xiong, L, McDowell, D.L., and Chen, Y., “Concurrent Atomistic-Continuum Simulations of Dislocation-Void Interactions in fcc Crystals,” Int. J. Plasticity, Vol. 65, 2015, pp. 33-42.
  2. Van Beers, P.R.M., Kouznetsova, V.G., Geers, M.G.D., Tschopp, M.A., and McDowell, D.L., “A Multi-scale Model of Grain Boundary Structure and Energy: From Atomistic to Continuum Description,” Acta Materialia, Vol. 82, 2015, pp. 513–529.
  3. Patra, A. and McDowell, D.L.,”A void nucleation and growth based damage framework to model failure initiation ahead of a sharp notch in irradiated bcc materials,” Journal of the Mechanics and Physics of Solids, Vol. 74, 2015, pp. 111–135.
  4. Vandekerkhove, P., Padbidri, J.M., and McDowell, D.L., “Bootstrap Selection Among a Collection of Non-embedded Mixture Models – Application to Extreme Value Modeling in Metal Fatigue Problems,”Electronic Journal of Statistics, Vol. 8, No. 2, 2014, pp. 3141-3175.
  5. McDowell, D.L. and Liu, Z.-K., “The Penn State-Georgia Tech CCMD: Ushering in the ICME Era,” Integrating Materials and Manufacturing Innovation, TMS, 3(1), 2014, p. 28.
  6. Patra, A., Priddy, M., and McDowell, D.L., “Modeling the effects of microstructure on the tensile properties and micro-fracture behavior of Mo-Si-B alloys at elevated temperatures,” Intermetallics, Vol. 64, 2015, pp. 6-17.
  7. Xu, S., Che, R., Xiong, L., Chen, Y. and McDowell, D.L., “A Quasistatic Implementation of the Concurrent Atomistic-Continuum Method for FCC Crystals, International Journal of Plasticity, Vol. 72, 2015, pp. 91-126.
  8. Castelluccio, G.M. and McDowell, D.L., “Microstructure and Mesh Sensitivities of Mesoscale Surrogate Driving Force Measures for Transgranular Fatigue Cracks in Polycrystals,” Materials Science and Engineering A, Vol. 639, 2015, pp. 626-639.
  9. Mayeur, J.R. and McDowell, D.L., “Micropolar Crystal Plasticity Simulations of Particle Strengthening,” Modeling and Simulation in Materials Science and Engineering, Vol. 23, No. 6, 2015, p. 065007.
  10. Lammi, C.J., Li, H., McDowell, D.L., and Zhou, M., “Dynamic Fracture and Dissipation Behaviors of Concrete at the Mesoscale,” International Journal of Applied Mechanics, Vol. 7, No. 3, 2015, p. 1550038-1-37.
  11. Tiwari, S. and McDowell, D.L., “Shear Deformation Behavior of Cu Nanocrystals Under Imposed Hydrostatic Stress,” ASME J. Applied Mechanics, 82(9), 2015, 091011-091011-11.
  12. Lloyd, J.T., Clayton, J.D., Austin, R.A., and McDowell, D.L., “Shock Compression Modeling of Metallic Single Crystals: Comparison of Finite Difference, Steady Wave, and Analytical Solutions,” Advanced Modeling and Simulation in Engineering Sciences, Vol.2, No. 14, 2015, doi:10.1186/s40323-015-0036-6.
  13. Musinski, W.D. and McDowell, D.L., “On the Eigenstrain Application of Shot-peened Residual Stresses within a Crystal Plasticity Framework: Application to Ni-base Superalloy Specimens,” International Journal of Mechanical Sciences, Vol. 100, 2015, pp. 195-208.

2014

  1. Clayton, J.D., Hartley, C.S., and McDowell, D.L., “The Missing Term in the Decomposition of Finite Deformation,” International Journal of Plasticity, Vol. 52, 2014, pp. 51-76.
  2. Salajegheh, N. and McDowell, D.L., “Microstructure-Sensitive Weighted Probability Approach for Modeling Surface to Bulk Transition of High Cycle Fatigue Failures Dominated by Primary Inclusions,” International Journal of Fatigue, Vol. 59, 2014, pp. 188-199.
  3. Xiong, L., McDowell, D.L., and Chen, Y., “Sub-THz Phonon Drag on Dislocations by Coarse-grained Atomistic Simulations,” International Journal of Plasticity, Vol. 55, 2014, pp. 268–278.
  4. Ellis, B.D., DiPaolo, B.P., McDowell, D.L., and Zhou, M., “Experimental investigation and multiscale modeling of Ultra-High-Performance Concrete panels subject to blast loading,” Int. J. Impact Engineering, Vol. 69, 2014, pp. 95-103.
  5. Austin, R.A., McDowell, D.L., and Benson, D.J., “The deformation and mixing of several Ni/Al powders under shock wave loading: effects of initial configuration,” Modeling and Simulation in Materials Science and Engineering, Vol. 22, 2014, p. 025018.
  6. Ellis, B.D., McDowell, D.L., and Zhou, M., “Simulation of Single Fiber Pullout Response with Account of Fiber Morphology,” Cement and Concrete Composites, Vol. 48, 2014, pp. 42-52.
  7. Castelluccio, G.M., and McDowell, D.L., “A Mesoscale Approach for Growth of 3D Microstructurally Small Fatigue Cracks in Polycrystals,” Int. J. Damage Mechanics, Vol. 23, No. 6, 2014, pp. 791-818.
  8. Narayanan, S., McDowell, D.L., and Zhu, T., “Crystal Plasticity Model for BCC Iron Atomistically Informed by Kinetics of Correlated Kinkpair Nucleation on Screw Dislocations,” Journal of the Mechanics and Physics of Solids, Vol. 65, 2014, pp. 54-68.
  9. Mayeur, J.R. and McDowell, D.L., “A Comparison of Gurtin-Type and Micropolar Single Crystal Plasticity with Generalized Stresses,” International Journal of Plasticity, Vol. 57, 2014, pp. 29-51.
  10. Castelluccio, G.M., Musinski, W.D. and McDowell, D.L., “Recent Developments in Assessing Microstructure-Sensitive Early Stage Fatigue of Polycrystals,” Current Opinion in Solid State and Materials Science, Vol. 18, No. 4, 2014, pp. 180-187.
  11. Castelluccio, G.M., and McDowell, D.L., “Mesoscale Modeling of Microstructurally Small Fatigue Cracks in Metallic Polycrystals,” Mat. Sci. Eng. A, Vol. 598, No. 26, 2014, pp. 34-55.
  12. Li, Y., McDowell, D.L., and Zhou, M., “A Multiscale Framework for Predicting Fracture Toughness of Polycrystalline Metals,” ASTM Special Issue on Fracture Toughness for Materials Performance and Characterization, Ed. R.W. Neu, Vol. 3(3), 2014, doi10.1520/MPC20130064.
  13. Dong, X., McDowell, D.L., Kalidindi, S.R., and Jacob, K.I., “Dependence of mechanical properties on crystal orientation of semi-crystalline polyethylene structures,” Polymer, Vol. 55, No. 16, 2014, pp. 4248-4257.
  14. Salajegheh, N., Prasannavenkatesan, R., McDowell, D.L., Olson, G.B., and Jou, H.-J., “Finite element simulation of shielding/intensification effects of primary inclusion clusters in high strength steels under fatigue loading,” ASME J. Engng. Mater. Technology, Vol. 136, No. 3, 2014, p. 031003 (8 pages).
  15. Patra, A., Zhu, T. and McDowell, D.L., “Constitutive equations for modeling non-Schmid effects in single crystal bcc-Fe at low and ambient temperatures,” Int. J. Plasticity, Vol. 59, 2014, pp. 1-14.
  16. Lloyd, J.T., Clayton, J.D., Austin, R.A., and McDowell, D.L., “Plane wave simulation of elastic-viscoplastic single crystals,” Journal of the Mechanics and Physics of Solids, Vol. 69, 2014, pp. 14-32.
  17. Lloyd, J.T., Clayton, J.D., Becker, R.C., and McDowell, D.L., “Simulation of Shock Wave Propagation in Single Crystal and Polycrystalline Aluminum,” Int. J. Plasticity, Vol. 60, 2014, pp. 118-144.
  18. Xiong, L., Chen, X., McDowell, D.L., and Chen, Y., “Predicting Phonon Properties of 1D Polyatomic Crystals through the Concurrent Atomistic-Continuum Simulations,” Archives Applied Mechanics, special issue in Honor of Professor G. Maugin, Vol. 84, 2014, pp. 1665-1675.

2013

  1. Panchal, J.H., Kalidindi, S.R., and McDowell, D.L., “Key Computational Modeling Issues in ICME,” Computer-Aided Design, Vol. 45, No. 1, 2013, pp. 4–25.
  2. Patra, A. and McDowell, D.L., “Continuum Modeling of Localized Deformation in Irradiated bcc Materials,” Journal of Nuclear Materials, Vol. 432, No. 1-3,  2013, pp. 414–427.
  3. Tiwari, S., Tucker, G.J. and McDowell, D.L., “Simulated defect growth avalanches during elastic-plastic deformation of Nanocrystalline Cu,” Philosophical Magazine, Vol. 93, No. 5, 2013, pp. 478-498..
  4. Przybyla, C., Musinski, W., Castelluccio, G., and McDowell, D.L., “Microstructure-Sensitive HCF and VHCF Simulations,” Int. J. Fatigue, Vol. 57, 2013, pp. 9-27.
  5. Buck, J.J., McDowell, D.L., and Zhou, M., “Effect of Microstructure on Load-Carrying and Energy-Dissipation Capacities of Ultra-High Performance Concerete,” Cement and Concrete Research, Vol. 43, 2013, pp. 34–50.
  6. Castelluccio, G.M. and McDowell, D.L., “Effect of Annealing Twins on Crack Initiation under High Cycle Fatigue Conditions,” Journal of Materials Science, Vol. 48 no. 6, 2013, pp. 2376-2387.
  7. Mayeur, J.R. and McDowell, D.L., “An Evaluation of Higher-Order Single Crystal Strength Models for Constrained Thin Films Subjected to Simple Shear,” Journal of the Mechanics and Physics of Solids, Vol. 61, No. 9, 2013, pp. 1935-1954.
  8. McDowell, D.L., “Sharing Data in Materials Science: Incentivize Sharing,” Nature, Vol. 503, Nov. 2013, pp. 463-464.
  9. Buck, J.J., McDowell, D.L., and Zhou, M., “Microstructure-Performance Relations of UHPC accounting for effects of a-quartz-to-coesite silica phase transformation, International Journal of Solids and Structures, Vol. 50, No. 11-12, 2013, pp. 1879-1896.
  10. Smith, B.D., Shih, D., and McDowell, D.L., “Cyclic Plasticity Experiments and Polycrystal Plasticity Modeling of Three Distinct Ti Alloy Microstructures,” Int. J. Plasticity, 2013, http://dx.doi.org/10.1016/j.ijplas.2013.10.004.
  11. Smith, B.D., Shih, D., and McDowell, D.L., “Simulated Fatigue Study of Two Titanium Alloy Microstructures,” International Journal of Fatigue, 2013, http://dx.doi.org/10.1016/j.ijfatigue.2013.11.003.
  12. Castelluccio, G.M., and McDowell, D.L., “A Mesoscale Approach for Growth of 3D Microstructurally Small Fatigue Cracks in Polycrystals,” Int. J. Damage Mechanics, 2013, doi:10.1177/1056789513513916.