Publications

Total of 100 peer-reviewed publications with 2347 citations and h-index of 26 (Google Scholar, https://scholar.google.fr/citations?hl=en&user=Zy5TYLjEDukC).

BOOKS:

The Kinetic Monte Carlo Algorithm: Principles and Applications in Materials Science, E. Martinez, J. Marian and M. H. Kalos. Pan-Stanford publisher. In preparation.

BOOK CHAPTERS:

  1. Accelerated Molecular Dynamics Methods in a Massively Parallel World, R. J. Zamora, D. Perez, E. Martinez, B. P. Uberuaga, and A. F. Voter, Handbook of Materials Modeling: Methods: Theory and Modeling, Springer International Publishing, 2018, 1-28.
  2. Accelerated Molecular Dynamics Simulations of Shock-induced Chemistry: Application to Liquid Benzene, E. Martinez, E. M. Kober and M. J. Cawkwell, Computational Approaches to Understanding Chemical Reactivity under High Pressures, N. Goldman (Ed), Springer Nature, (2018).
  3. Kinetic Monte Carlo Algorithms for Nuclear Applications, J. P. Balbuena, M. J. Caturla, E. Martinez, Handbook of Materials Modeling: Applications: Current and Emerging Materials, Springer, 2018.
  4. DFT-Parametrized Object Kinetic Monte Carlo Simulations of Radiation Damage, E. Martinez, M. J. Caturla and J. Marian, Handbook of Materials Modeling: Applications: Current and Emerging Materials, Springer, 2020.

PEER-REVIEWED ARTICLES:

  1. Thermal gradient effect on helium and self-interstitial transport in tungsten, E. Martinez, N. Mathew, D. Perez, S. Blondel, D. Dasgupta, B. D. Wirth, D. Maroudas, J. Appl. Phys. 130, 215904 (2021).
  2. The mobility of small, over-pressurized helium bubbles in tungsten at 2000 K, Z.J. Bergstrom, D. Perez, E. Martínez, Journal of Nuclear Materials 557 (2021) 153306.
  3. A stochastic solver based on the residence time algorithm for crystal plasticity models, Q. Yu, E. Martinez, J. Segurado, Jaime Marian, Computational Mechanics https://doi.org/10.1007/s00466-021-02073-7.
  4. Non-orthogonal computational grids for studying dislocation motion in phase field approaches, X. Peng, A. Hunter, I. J. Beyerlein, R. A. Lebensohn, K. Dayal, E. Martinez, Computational Materials Science 200 (2021) 110834
  5. Strain Effects on the Diffusion Properties of Near-Surface Self-Interstitial Atoms and Adatoms in Tungsten, B. Sun, D. Maroudas, B. D. Wirth and E. Martinez, (2021) Front. Mater. 8:678858. doi: 10.3389/fmats.2021.678858.
  6. Perspectives on multiscale modelling and experiments to accelerate materials development for fusion, M.R. Gilbert, K. Arakawa, Z. Bergstrom , M.J. Caturla, S.L. Dudarev, et al., Journal of Nuclear Materials 554 (2021) 153113.
  7. Relative relevance of mobility and driving force on edge dislocation climb by the vacancy mechanism, E. Martinez, A. Alankar, A. Caro, T. Jourdan, Computational Materials Science 193 (2021) 110378.
  8. On the cross-slip of screw dislocations in zirconium, Y. Li, S. Chatterjee, E. Martinez, N. Ghoniem, G. Po, Acta Materialia 208 (2021) 116764.
  9. Helium implantation damage resistance in nanocrystalline W-Ta-V-Cr high entropy alloys, O. El-Atwani, A. Alvarado, K. Unal, S. Fensin, J.A. Hinks, G. Greaves, J.K.S. Baldwin, S.A. Maloy, E. Martinez, Materials Today Energy 19 (2021) 100599.
  10. Collision cascade effects near an edge dislocation dipole in alpha-Fe: Induced dislocation mobility and enhanced defect clustering, S. Heredia-Avalos, C.D. Denton, J. C. Moreno-Martin, E. Martinez, M.J. Caturla, Journal of Nuclear Materials 543 (2021) 152459.
  11. Chemical short-range order in derivative Cr–Ta–Ti–V–W high entropy alloys from the first-principles thermodynamic study, D. Sobieraj, J. S. Wróbel, T. Rygier, K. J. Kurzydłowski, O. El Atwani, A. Devaraj, E. Martinez, and D. Nguyen-Manh, Phys. Chem. Chem. Phys., 2020, 22, 23929.
  12. A pathway to synthesizing single-crystal Fe and FeCr films, B. Derby, J. Cooper, T. Lach, E. Martinez, H. Kim, J. K. Baldwin, D. Kaoumi, D. J. Edwards, D. K. Schreiber, B. P. Uberuaga, N. Li. Surface and Coatings Technology 403 (2020) 126346.
  13. Point defect evolution under irradiation: Finite size effects and spatiotemporal correlations, E. Martinez, F. Soisson, M. Nastar, Journal of Nuclear Materials 539 (2020) 152233.
  14. Prediction of the Al-rich part of the Al-Cu phase diagram using cluster expansion and statistical mechanics, S. Liu, E. Martínez, J. LLorca, Acta Materialia 195 (2020) 1-10.
  15. Reaction rates in shocked nitromethane from density functional tight binding simulations, R. Perriot, M. J. Cawkwell, E. Martínez, S. McGrane and, J. Phys. Chem. A https://dx.doi.org/10.1021/acs.jpca.9b11897.
  16. Temperature threshold for preferential bubble formation on grain boundaries in tungsten under in situ helium irradiation, O. El-Atwani, W. S. Cunningham, D. Perez, E. Martinez, J. R. Trelewicz, M. Li, S. A. Maloy, Scripta Materialia, 180 (2020) 6-10.
  17. Atomistic simulations of helium, hydrogen, and self-interstitial diffusion inside dislocation cores in tungsten, N. Mathew, D. Perez, E. Martinez, Nuclear Fusion 60 (2020) 026013.
  18. Coherent phase decomposition in the Pd-H system, R. B. Schwarz, A. K. Khachaturyan, A. Caro, M. I. Baskes, and E. Martinez, Journal of Materials Science, 2020, DOI 10.1007/s10853-019-04179-z.
  19. Influence of the stress state on the cross-slip free energy in Al: An atomistic investication, G. Esteban-Manzanares, R. Santos-Güemes, I. Papadimitriou, E. Martínez, J. LLorca, Acta Materialia 184 (2020) 109-119.
  20. Unprecedented irradiation resistance of nanocrystalline tungsten with equiaxed nanocrystalline grains to dislocation loop accumulation. O. El-Atwani, E. Esquivel, E. Aydogan, E. Martinez, J. K. Baldwin, M. Li, B. P. Uberuaga, and S. A. Maloy, Acta Materialia 165, (2019) 118-128.
  21. Radiation-induced segregation in W-Re: from kinetic Monte Carlo simulations to atom probe tomography experiments, M. J. Lloyd, R. G. Abernethy, D.E.J. Armstrong, P.A.J. Bagot, M.P. Moody, E. Martinez, and D. Nguyen-Manh, Eur. Phys. J. B (2019) 92: 241.
  22. Parallel replica dynamics simulations of reactions in shock compressed liquid benzene, E. Martínez, R. Perriot, E. M. Kober, P. Bowlan, M. Powell, S. McGrane and M. J. Cawkwell, J. Chem. Phys. 150, 244108 (2019).
  23. Strengthening of Al-Cu alloys by Guinier-Preston zones: predictions from atomistic simulations, G. Esteban-Manzanares, B. Bellón, E. Martinez, I. Papadimitriou, and J. Llorca, Journal of the Mechanics and Physics of Solids 132 (2019) 103675.
  24. α′ formation kinetics and radiation induced segregation in neutron irradiated 14YWT nanostructured ferritic alloys, E. Aydogan, E. Martinez, K. March, O. El-Atwani, D. L. Krumwiede, P. Hosemann, T. Saleh and S. A. Maloy, Scientific Reports (2019) 9:8345.
  25. Solid-Liquid metal interface definition studies using capillary fluctuation method, N. T. Brown, E. Martinez, J. Qu, Computational Materials Science 168 (2019) 65-73.
  26. Basal dislocation/precipitate interactions in Mg-Al alloys: an atomistic investigation, G. Esteban-Manzanares, A. Ma, I. Papadimitriou, E. Martinez, J. Llorca, Modelling Simul. Mater. Sci. Eng. 27 (2019) 075003.
  27. Probing ultrafast shock-induced chemistry in liquids using broad-band mid-infrared absorption spectroscopy, P. Bowlan, M. Powell, R. Perriot, E. Martínez, E. M. Kober, M. J. Cawkwell and S. McGrane, J. Chem. Phys. 150, 204503 (2019)
  28. Dissociated vacancies and screw dislocations in MgO and UO2: atomistic modeling and linear elasticity analysis, X-Y. Liu, E. Martinez, B. P. Uberuaga, Sci. Rep. (2019) 9:6499.
  29. Solute precipitation on a screw dislocation and its effects on dislocation mobility in bcc Fe, M. I. Pascuet, G. Monnet, G. Bonny, E. Martinez, J. J. H. Lim, M. G. Burke, and L. Malerba, Journal of Nuclear Materials 519 (2019) 265-273.
  30. Outstanding Radiation Resistance of Tungsten-based High Entropy Alloys, O. El-Atwani, N. Li, M. Li, A. Devaraj, J. K. S. Baldwin, M. M. Schneider, D. Sobieraj, J. S. Wrobel, D. D. Nguyen-Manh, S. A. Maloy, and E. Martinez, Science Advances 2019; 5: eaav2002.
  31. An atomistic investigation of the interaction of dislocations with Guinier-Preston zones in Al-Cu alloys, G. Esteban-Manzanares, E. Martinez, J. Segurado, L. Capolungo, J. LLorca, Acta Materialia 162 (2019) 189-201.
  32. Loop and void damage during heavy ion irradiation on nanocrystalline and coarse grained tungsten: microstructure, effect of dpa rate, temperature, and grain size, O. El-Atwani, E. Esquivel, M. Efe, E. Aydogan, Y. Wang, E. Martinez, S.A. Maloy, Acta Materialia 149 (2018) 206-219.
  33. Does sink efficiency unequivocally characterize how grain boundaries impact radiation damage? O. El-Atwani, E. Martinez, E. Esquivel, M. Efe, C. Taylor, Y. Q. Wang, B. P. Uberuaga, and S. A. Maloy, Physical Review Materials 2, 113604 (2018).
  34. Influence of chemistry and misfit dislocation structure on dopant segregation at complex oxide heterointerfaces, P. P. Dholabhai, E. Martinez, B. P. Uberuaga, Advanced theory and simulation, 2018, 1800095.
  35. Atomistic analysis of the {10-12} twin stability and growth in α-Ti, E. Martinez, L. Capolungo and C. N. Tomé, Physical Review Materials 2 (2018) 083603.
  36. How relative defect migration energies drive contrasting temperature-dependent microstructural evolution in irradiated ceramics, A. Debelle, J. P. Crocombette, A. Boulle, E. Martinez, B. P. Uberuaga, D. Bachiller-Perea, Y. Haddad, F. Garrido, L. Thomé, and M. Béhar, Physical Review Materials 2 (2018) 083605.
  37. Role of Sink Density in Nonequilibrium Chemical Redistribution in Alloys, E. Martinez, O. Senninger, A. Caro, F. Soisson, M. Nastar and B. P. Uberuaga, Physical Review Letters 120 (2018) 106101.
  38. Structure and Mobility of Dissociated Vacancies at Twist Grain Boundaries and Screw Dislocations in Ionic Rocksalt Compounds, K. Kolluri, E. Martinez, B. P. Uberuaga, Chemistry of Materials 30 (2018) 1980-1988.
  39. Advanced atomistic algorithms in materials science, E. Martinez, D. Perez, V. Gavini, S. Kenny, J. Mat. Res. 33 (2018) 773-776.
  40. Multiscale modeling of radiation-induced segregation in iron-based alloys, L. Thuinet, M. Nastar, E. Martinez, G. F. Bouobda Moladje, A. Legris and F. Soisson, Computational Materials Science 149 (2018) 324-335.
  41. Discovering mechanisms relevant for radiation damage evolution, B. P. Uberuaga, E. Martinez, D. Perez and A. F. Voter, Computational Materials Science 147 (2018) 282-292.
  42. Solute effects on edge dislocation pinning in complex alpha-Fe alloys, M. I. Pascuet, E. Martinez, G. Monnet and L. Malerba, Journal of Nuclear Materials 494 (2017) 311-321.
  43. On the mobility of carriers at semi-coherent oxide heterointerfaces, P. P. Dholabhai, E. Martinez, N. T. Brown and B. P. Uberuaga, Phys. Chem. Chem. Phys. 19 (2017) 23122.
  44. Atomistic modeling of helium segregation to grain boundaries in tungsten and its effect on de-cohesion, E. Martinez, B. P. Uberuaga, B. D. Wirth, Nuclear Fusion 57 (2017) 086044.
  45. Nodal analysis of the dislocation vibration and reaction attempt frequency, C. Sobie, L. Capolungo, D. L. McDowell and E. Martinez, Acta Materialia 134 (2017) 203-210.
  46. Scale transition using dislocation dynamics and the nudged elastic band method, C. Sobie, L. Capolungo, D. L. McDowell and E. Martinez, Journal of the Mechanics and Physics of Solids 105 (2017) 161-178.
  47. Thermal activation of dislocations in large scale obstacle bypass, C. Sobie, L. Capolungo, D. L. McDowell and E. Martinez, Journal of the Mechanics and Physics of Solids 105 (2017) 150-160.
  48. Interfacial free energy stiffness of aluminum during rapid solidification, N. T. Brown, J. Qu and E. Martinez, Acta Materialia 129 (2017) 83-90.
  49. Modeling Material Interfaces with Hybrid Adhesion Method, N. T. Brown, J. Qu and E. Martinez, Computational Materials Science 130 (2017) 204-213.
  50. Effect of Li on the deformation mechanisms of nanocrystalline hexagonal close packed magnesium, S. Karewar, N. Gupta, S. Groh, E. Martinez, A. Caro and S. G. Srinivasan, Computational Materials Science 126 (2017) 252-264.
  51. Atomistic modeling of the reordering process of ’ disordered particles in Ni-Al alloys, E. Martinez, F. Soisson, A. Caro and B. P. Uberuaga, Journal of Nuclear Materials 478 (2016) 207-214.
  52. Synchronous parallel spatially resolved stochastic cluster dynamics, A. Dunn, R. Dingreville, E. Martinez and L. Capolungo, Computational Materials Science 120 (2016) 43-52.
  53. Atomic-scale studies of defect interactions with homo- and hetero-phase interfaces, E. Martinez, B. P. Uberuaga and I. J. Beyerlein, JOM, 11 April 2016.
  54. Identification of dominant damage accumulation processes at grain boundaries during irradiation in nanocrystalline -Fe: a statistical study, A. Y. Dunn, R. Dingreville, E. Martinez, and L. Capolungo, Acta Materialia 110 (2016) 306-323.
  55. Analytical model of the effect of misfit dislocation character on the bubble-to-void transition in metals, E. Martinez, D. Schwen, J. Hetherly and A. Caro, Journal of Nuclear Materials 469 (2016) 106-111
  56. Modeling radiation induced segregation in iron-chromium alloys, O. Senninger, F. Soisson, E. Martínez, M. Nastar, C-C. Fu and Y. Brechet. Acta Materialia 103 (2016) 1-11.
  57. Interaction of small mobile stacking fault tetrahedra with free surfaces, dislocations, and interfaces in Cu and Cu-Nb, E. Martinez, B. P. Uberuaga and I. J. Beyerlein, Physical Review B 93 (2016) 054105
  58. Thermostating extended Lagrangian Born-Oppenheimer molecular dynamics, E. Martinez, M. J. Cawkwell, A. F. Voter, A. M. N. Niklasson, Journal of Chemical Physics 142 (2015) 154120.
  59. Thermally-induced interdiffusion and precipitation in a Ni/Ni3Al system, C. Sun, E. Martínez, J. A. Aguiar, A. Caro, J. A. Valdez, K. Baldwin, O. Anderoglu, Y. Xu, B. P. Uberuaga, S. A. Maloy, Materials Research Letters 3 (2015) 169-176.
  60. The relationship between grain boundary structure, defect mobility, and grain boundary sink efficiency, B. P. Uberuaga, L. J. Vernon, E. Martinez and A. F. Voter. Scientific Reports 5, DOI: 10.1038/srep09095 (2015).
  61. The capillarity equation at the nanoscale: gas bubbles in metals, D. Schwen, E. Martinez and A. Caro. Acta Materialia 89 (2015) 14-21.
  62. Helium Segregation to Screw and Edge Dislocations in -Iron and their Yield Strength, E. Martinez, D. Schwen and A. Caro. Acta Materialia 84 (2015) 208-214.
  63. Mobility and coalescence of small stacking fault tetrahedra in Cu, E. Martinez and B. P. Uberuaga, Scientific Reports 5 DOI: 10.1038/srep09084, (2015).
  64. Screw Dislocation Constrictions in Face-Centered Cubic Crystals, E. Martinez and J. P. Hirth, Physical Review B 90 (2014) 064102.
  65. Atomistic modeling of defect-induced plasticity in CuNb nanocomposites, E. Martinez, A. Caro and I. J. Beyerlein, Physical Review B 90 (2014) 054103.
  66. Sublattice parallel replica dynamics, E. Martinez, B. P. Uberuaga and A. F. Voter, Physical Review E 89 (2014) 063308.
  67. Radiation induced effects on mechanical properties of nanoporous gold foams, M. Caro, W. M. Mook, E. G. Fu, Y. Q. Wang, C. Sheehan, E. Martinez, J. K. Baldwin and A. Caro, Applied Physics Letters 104, 233109 (2014)
  68. Atomic simulations of decomposition kinetics in Fe-Cr alloys: influence of the magnetism, O. Senninger,E. Martínez, F. Soisson, M. Nastar and Y. Brechet. Acta Materialia 73 (2014) 97-106.
  69. Structure of nanoscale gas bubbles in metals, A. Caro, D Schwen and E. Martinez. Applied Physics Letters 103, 213113 (2013).
  70. Spatially resolved stochastic cluster dynamics for radiation damage evolution in nanostructured metals, A. Y. Dunn, L. Capolungo, E. Martinez, and M. Cherkaoui. Journal of Nuclear Materials 443 (2013) 128-139.
  71. Defect distributions and transport in nanocomposites: A theoretical perspective, B. P. Uberuaga, E. Martinez, Z. Bi, M. Zhuo, Q. Jia, M. Nastasi, A. Misra and A. Caro. Materials Research Letters DOI: 10.1080/21663831.2013.805442.
  72. On the analytic calculation of critical size for alpha prime precipitation in FeCr, D Schwen, E. Martinez and A. Caro. Journal of Nuclear Materials 439 (2013) 180-184.
  73. Plasticity at interfaces with Helium: Computer simulations of shear deformation of twist boundaries with He in -Fe, N. Naveen Kumar, E. Martinez, B. K. Dutta, A. Caro, G. K. Dey. Physical Review B 87 (2013) 054106.
  74. Helium bubble formation and retention in Cu-Nb nanocomposites, A.Y. Dunn, M.G. McPhie, L. Capolungo, E. Martinez, M. Cherkaoui. Journal of Nuclear Materials 435 (2013) 141-152.
  75. Liquid phase thermodynamics and structures in the Cu-Nb binary system, L. Zhang, E. Martinez, A. Caro, X-Y. Liu, M. J. Demkowicz, Modeling and Simulation in Materials Science and Engineering 21 (2013) 025005.
  76. Decomposition kinetics of Fe-Cr solid solutions during thermal ageing, E. Martínez, O. Senninger, C-C. Fu, F. Soisson, Physical Review B 86 (2012) 224109.
  77. Atomistic modeling of long-term evolution of twist boundaries under vacancy supersaturation, E. Martínez and A. Caro, Physical Review B 86 (2012) 214109.
  78. Structure of a 2º (010) Cu Twist Boundary Interface and the Segregation of Vacancies and He Atoms, E. Martínez, J. P. Hirth, M. Nastasi and A. Caro, Physical Review B 85 (2012) 060101(R).
  79. A scalable parallel Monte Carlo algorithm for atomistic simulations of precipitation in alloys, B. Sadigh, P. Erhart, A. Stukowsky, A. Caro, E. Martínez, L. Zepeda-Ruiz, Physical Review B 85 (2012) 184203.
  80. Iron-chromium alloys and surfaces: from ab initio calculations to segregation isotherms,M. Levesque, E. Martínez, C-C. Fu, M. Nastar, F. Soisson, Revue de Metallurgie 108 (2011) 21-25.
  81. Simple concentration-dependent pair interaction model for large-scale simulations of Fe-Cr alloys, M. Levesque, E. Martínez, C-C. Fu, M. Nastar, F. Soisson, Physical Review B 84 (2011)184205.
  82. Helium bubble precipitation at dislocation networks, J. Hetherly, E. Martínez, Z.F. Di, M. Nastasi and A. Caro, Scripta Materialia 66 (2011) 17-20.
  83. Helium bubble growth at the bcc Twist grain boundaries, J. Hetherly, E. Martínez, M. Nastasi and A. Caro, Journal of Nuclear Materials 419 (2011) 201-207.
  84. Properties of Helium bubbles in Fe and FeCr alloys, A. Caro, J. Hetherly, A. Stukowsky, M. Caro, E. Martínez, S. Srivilliputhur, L. Zepeda-Ruiz, M. Nastasi, Journal of Nuclear Materials 418 (2011) 261-268.
  85. Effect of Cr in He-vacancy clustering in dilute FeCr alloys from first principles, E. Martínez and C-C. Fu, Physical Review B 84 (2011) 014203.
  86. Simulations of decomposition kinetics of Fe-Cr solid solutions during thermal aging, E. Martinez, C-C. Fu, M. Levesque, M. Nastar, F. Soisson, Solid State Phenomena 172-174 (2011) 1016-1021.
  87. Billion-atom Synchronous Parallel kinetic Monte Carlo Simulations of Critical 3D Ising Systems, E. Martinez, P. R. Monasterio, J. Marian, Journal of Computational Physics 230 (2011) 1359-1369.
  88. Influence of self-interstitial mobility on the He-vacancy cluster nucleation and growth, B. Gámez, L. Gámez, M. J. Caturla, E. Martínez, E. del Rio, J. M. Perlado, Fusion Science and Technology 56 (2009) 314-317.
  89. Micro/meso-scale computacional study of dislocation-stacking-fault tetrahedron interactions in copper, J. Marian, E. Martinez, H-J. Lee, B. Wirth, Journal of Materials Research 24 (2009) 3628-3635.
  90. Synchronous parallel kinetic Monte Carlo for continuum diffusion-reaction systems, E. Martínez, J. Marian, M. H. Kalos, José Manuel Perlado, Journal of Computational Physics 227 (2008) 3804-3823.
  91. Atomistically informed dislocation dynamics in fcc crystals, E. Martínez, J. Marian, A. Arsenlis, M. Victoria, J. M. Perlado, Journal of the Mechanics and Physics of Solids 56 (2008) 869-895.
  92. Dislocation dynamics study of the strength of stacking fault tetrahedra. Part I: Interactions with screw dislocations, E. Martínez, J. Marian, A. Arsenlis, M. Victoria, J. M. Perlado, Philosophical Magazine 88 (2008) 809-840.
  93. A dislocation dynamics study of the strength of stacking fault tetrahedra. Part II: interactions with mixed and edge dislocations, E. Martínez, J. Marian, J. M. Perlado, Philosophical Magazine 88 (2008) 841-863.
  94. Kinetic Monte Carlo modelling of neutron irradiation damage in iron, L. Gamez et al. Fusion Engineering and Design 82 (2007) 2666-2670.
  95. Radiation damage in metals, and amorphous silica in inertial fusion reactors: Modeling and experiments, J.M. Perlado et al. Journal de Physique IV 133 (2006) 805-809.
  96. Activation and Damage of Fusion Materials and Tritium effects in Inertial Fusion Reactors: strategy for adequate irradiation, J.M. Perlado et al., Laser and Particle Beam 23 (2005) 345-349.