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Michael J. Demkowicz Curriculum Vitae

Mailing Address: Office: RDMC 212 3003 TAMU Phone: (979) 458-9845 College Station, TX 77843 Email: [email protected] Education Ph.D., Mechanical Engineering June 2005 Massachusetts Institute of Technology Minor in Finance, MIT Sloan School of Business

Cambridge, MA

Thesis: Mechanisms of Plastic Deformation in Amorphous Silicon by Atomistic Simulation Using the Stillinger-Weber Potential

Advisor: Ali S. Argon, [email protected] M.S., Mechanical Engineering February 2004 Massachusetts Institute of Technology Cambridge, MA Thesis: Phenomenology and Kinematics of Discrete Plastic Transformation Events in

Amorphous Silicon: Atomistic Simulation Using the Stillinger-Weber Potential Advisor: Ali S. Argon, [email protected] B.S., Physics, with Honors August 2000 University of Texas at Austin Austin, TX B.S., Aerospace Engineering and Engineering Mechanics August 2000 University of Texas at Austin Austin, TX B.A., Plan II Honors Program, with High Honors August 2000 University of Texas at Austin Austin, TX Thesis: An Undergraduate’s Research Experience in Physics Advisor: Michael P. Marder, [email protected] Professional appointments Associate Professor Jan. 2016-present Texas A&M University Materials Science and Engineering

College Station, TX

• Lead a group focused on fundamental research in materials science Associate Professor July 2014-Dec. 2015 Massachusetts Institute of Technology Cambridge, MA

Michael J. Demkowicz [email protected]

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Department of Materials Science and Engineering • Led a group focused on computational materials design Assistant Professor Aug. 2008-July 2014 Massachusetts Institute of Technology Department of Materials Science and Engineering

Cambridge, MA

• Led a group focused on atomic-scale modeling of materials in extreme environments Technical Staff Member March 2008-Aug. 2008 Los Alamos National Laboratory Structure-Property Relations Group (MST-8)

Los Alamos, NM

• Led coupled experimental/modeling investigations on the structure of fcc-bcc interfaces and their interaction with radiation-induced point defects

Director’s Postdoctoral Fellow Postdoctoral Researcher

March 2006-March 2008 May 2005-March 2006

Los Alamos National Laboratory Structure-Property Relations Group (MST-8)

Los Alamos, NM

• Explained sources of radiation damage resistance in Cu-Nb multilayer composites based on Cu-Nb interface structure

• Co-founded the first postdoc association in Los Alamos history Research Assistant Sept. 2000-March 2005 MIT Department of Mechanical Engineering Engineering Mechanics and Materials Group

Cambridge, MA

• Explained plastic deformation in amorphous silicon based on the behavior of two structurally distinct forms of this material

Undergraduate Researcher Jan. 1998-Aug. 2000 University of Texas at Austin Physics Department Center for Nonlinear Dynamics

Austin, TX

• Investigated acoustic emissions from shape memory alloys Summer Researcher June 1999-Aug. 1999 Los Alamos National Laboratory Superconductor Technology Center (MST-STC)

Los Alamos, NM

• Studied current distributions in superconducting YBCO thin films Engineering Assistant Summers 1995-1997 Institute for Advanced Technology Hypervelocity Penetrator Group

Austin, TX

• Designed and tested components for hypervelocity armor penetrators


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Awards • Texas A&M University, College of Engineering, Phillips 66 First-Year Faculty

Fellow Award (2016-2019) • Kosciuszko Foundation Collegium of Eminent Scientists of Polish Origin and

Ancestry (2015) • MIT Graduate Materials Council outstanding teaching award (2014 and 2015) • NSF CAREER Award (2012) • TMS Early Career Faculty Fellow Award (2012) • John C. Chipman career development chair in materials science and

engineering at MIT (2008-2011) • Los Alamos Postdoctoral Distinguished Performance Award (2007) • Los Alamos Director’s Postdoctoral Fellow (2006-2008) • NSF Graduate Fellow (2000-2003) • MIT Mechanical Engineering Presidential Fellow (2000-2001) • Hertz Fellowship Finalist (2000) • Plan II Model Thesis Award (2000) • Phi Beta Kappa (2000) • Mortar Board Honor Society (1999) • UT-Austin Ernest and Virginia Cockrell Scholar (1995-2000) • UT-Austin Endowed Presidential Scholar (1997-2000) • UT-Austin Natural Sciences Dean’s Scholar (1995-1999) Research interests Interfaces in metals, mechanical behavior, and radiation response of materials. Publications (Web of Science: >2000 citations, H=26) † Work carried out primarily by MJD ‡ Research project led by MJD § Lead author supervised by MJD * Student of MJD 1. Demkowicz MJ, Argon AS, High-density liquidlike component facilitates

plastic flow in a model amorphous silicon system, Physical Review Letters 93, 025505 (2004). †

2. Argon AS, Demkowicz MJ, Veprek S, Role of plastic resistance of amorphous covalent compounds in the superior performance of superhard nano-structured ceramic composite coatings for cutting tools, in Materials Processing and Design: Modeling, Simulation and Applications, NUMIFORM


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2004, edited by S. Ghosh, J. C. Castro and J. K. Lee, AIP Conference Proceedings 712, 3 (2004).

3. Demkowicz MJ, Argon AS, High-density liquid-like component facilitates

plastic flow in a model amorphous silicon system, Materials Research Society Symposium Proceedings 806, MM6.9 (2004). †

4. Demkowicz MJ, Argon AS, Liquidlike atomic environments act as plasticity

carriers in amorphous silicon, Physical Review B 72, 245205 (2005). † 5. Demkowicz MJ, Argon AS, Autocatalytic avalanches of unit inelastic shearing

events are the mechanism of plastic deformation in amorphous silicon, Physical Review B 72, 245206 (2005). †

6. Argon AS, Demkowicz MJ, Atomistic simulation and analysis of plasticity in

amorphous silicon, Philosophical Magazine 86, 4153 (2006); F. R. N. Nabarro anniversary volume.

7. Demkowicz MJ, Argon AS, Unit shearing events in plasticity of amorphous

silicon, Materials Research Society Symposium Proceedings 904, 0904-BB03-07 (2006). †

8. Demkowicz MJ, Wang Y, Hoagland RG, Anderoglu O, Mechanisms of He

escape during implantation in CuNb multilayer composites, Nuclear Instruments and Methods B 261, 524 (2007). †

9. Demkowicz MJ, Argon AS, Farkas D, Frary M, Simulation of plasticity in

nanocrystalline silicon, Philosophical Magazine 87, 4253 (2007). † 10. Misra A, Demkowicz MJ, Zhang X, Hoagland RG, Radiation damage

tolerance of ultra-high strength nanolayered composites, JOM 59, 62 (2007). 11. Demkowicz MJ, Hoagland RG, Structure of Kurdjumov-Sachs interfaces in

simulations of a copper-niobium bilayer, Journal of Nuclear Materials 372, 45 (2008). †

12. Hattar K, Demkowicz MJ, Misra A, Robertson IM, Hoagland RG, Arrest of He

bubble growth in Cu-Nb multilayer nanocomposites, Scripta Materialia 58, 541 (2008). †

13. Argon AS, Demkowicz MJ, What can plasticity of amorphous silicon tell us

about plasticity of metallic glasses?, Metallurgical and Materials Transactions 39, 1762 (2008).


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14. Demkowicz MJ, Hoagland RG, Hirth JP, Interface structure and radiation damage resistance in Cu-Nb multilayer nanocomposites, Physical Review Letters 100, 136102 (2008). †

15. Misra A, Demkowicz MJ, Wang J, Hoagland RG, Multiscale Modeling of

Plastic Deformation of Metallic Nanolayered Composites, JOM 60, 39 (2008). 16. Demkowicz MJ, Wang J, Hoagland RG, Interfaces between dissimilar

crystalline solids, in Dislocation in Solids, Volume 14: A Tribute to F. R. N. Nabarro, ed. Hirth JP (Elsevier, Amsterdam, 2008). †

17. Demkowicz MJ, Hoagland RG, Simulations of collision cascades in Cu-Nb

layered composites using an EAM interatomic potential, International Journal of Applied Mechanics 1, 421 (2009); invited paper. †

18. Demkowicz MJ, With MA, National Laboratories Ready to Train a Generation

of Materials Researchers in Energy, MRS Bulletin 34, 395 (2009). † 19. Misra A, Zhang X, Demkowicz MJ, Hoagland RG, Nastasi MA, Design of

Nanocomposites for Ultrahigh Strengths and Radiation Damage Tolerance, Materials Research Society Symposium Proceedings 1188, 167 (2009).

20. Misra A, Demkowicz MJ, Zhang X, Hoagland RG, Nastasi MA,

Nanocomposites—mechanical behavior and radiation effects, in Nanostructure Metals: Fundamentals and Applications, 30th Risø International Symposium on Materials Science, 117 (2009).

21. Demkowicz MJ, Bhattacharyya D, Usov I, Wang YQ, Nastasi M, Misra A, The

effect of excess atomic volume on He bubble formation at fcc-bcc interfaces, Applied Physics Letters 97, 161903 (2010). †‡

22. Kolluri K, Demkowicz MJ, Dislocation mechanism of interface point defect

migration, Physical Review B 82, 193404 (2010). ‡§ 23. Medlin DL, Demkowicz MJ, Marquis EA, Solid State Interfaces: Toward and

Atomistic-scale Understanding of Structure, Properties, and Behavior, JOM 62, 52 (2010). ‡

24. Zhang X, Fu EG, Misra A, Demkowicz MJ, Interface-enabled Defect

Reduction in He Ion Irradiated Metallic Multilayers, JOM 62, 75 (2010). 25. Demkowicz MJ, Bellon P, Wirth BD, Atomic-scale design of radiation-tolerant

nanocomposites, MRS Bulletin 35, 992 (2010). †‡


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26. Kashinath A*, Demkowicz MJ, A predictive interatomic potential for He in Cu and Nb, Modeling and Simulation in Materials Science and Engineering 19, 035007 (2011). ‡§

27. Zhernenkov M, Jablin MS, Misra A, Nastasi M, Wang YQ, Demkowicz MJ,

Baldwin JK, Majewski J, Trapping of implanted He at Cu/Nb interfaces measured by neutron reflectometry, Applied Physics Letters 98, 241913 (2011). ‡

28. Demkowicz MJ, Anderoglu O, Zhang X, Misra A, The influence of S3 twin

boundaries on the formation of radiation-induced defect clusters in nanotwinned Cu, Journal of Materials Research 26, 1666 (2011). †‡

29. Kolluri K, Demkowicz MJ, Coarsening by network restructuring in model

nanoporous gold, Acta Materialia 59, 7645 (2011). ‡§ 30. Demkowicz MJ, Thilly L, Structure, shear resistance, and interaction with

point defects of interfaces in Cu-Nb nanocomposites synthesized by severe plastic deformation, Acta Materialia 59, 7744 (2011). †‡

31. Demkowicz MJ, Hoagland RG, Uberuaga BP, Misra A, Influence of interface

sink strength on the reduction of radiation-induced defect concentrations and fluxes in materials with large interface area per unit volume, Physical Review B 84, 104102 (2011). †‡

32. Liu X-Y, Hoagland RG, Demkowicz MJ, Wang J, Nastasi M, Misra A, Hirth JP,

Understanding of interface structures, defect, and mechanical properties at general FCC-BCC interfaces using ‘tunable’ potentials, Advances in Heterogeneous Material Mechanics 2011, 3rd International Conference on Heterogeneous Material Mechanics, 326-327 (2011).

33. Liu X-Y, Uberuaga BP, Demkowicz MJ, Germann TC, Misra A, Nastasi M,

Mechanism for recombination of radiation-induced point defects at interphase boundaries, Physical Review B 85, 012103 (2012).

34. Demkowicz MJ, Misra A, Caro AJ, The Role of Interface Structure in

Controlling High Helium Concentrations, Current Opinion in Solid State and Materials Science 16, 101 (2012). †‡

35. Bhattacharyya D, Demkowicz MJ, Wang Y-Q, Baumer RE*, Nastasi M, Misra

A, A Transmission Electron Microscopy Study of the Effect of Interfaces on Bubble Formation in He-implanted Nano-scale Cu-Nb multilayers, Microscopy and Microanalysis 18, 152 (2012). ‡


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36. Liu X-Y, Hoagland RG, Demkowicz MJ, Nastasi M, Misra A, The Influence of Lattice Mismatch on the Atomic Structures and Defect Energies of fcc-bcc Interfaces, Journal of Engineering Materials and Technology 134, 021012 (2012).

37. Kolluri K, Demkowicz MJ, Formation, migration, and clustering of delocalized

vacancies and interstitials at a solid-state semicoherent interface, Physical Review B 85, 205416 (2012). ‡§

38. Skirlo SA*, Demkowicz MJ, The role of thermal spike compactness in

radiation-induced disordering and Frenkel pair production in Ni3Al, Scripta Materialia 67, 724 (2012); 2012 Acta student award winner. ‡§

39. Han WZ, Demkowicz MJ, Fu EG, Wang YQ, Misra A, Effect of grain boundary

characters on sink efficiency, Acta Materialia 60, 6341 (2012). ‡ 40. Blau PJ, Hayrapetian AV*, Demkowicz MJ, Development of a predictive wear

model for grid-to-rod fretting in light water nuclear reactors, Tribo-Corrosion: Research, Testing, and Applications, edited by P. J. Blau, J-P. Celis, and D. Drees, ASTM Special Technical Publications 1563, 139 (2013). ‡

41. Zhang L*, Martinez E, Caro A, Liu X-Y, Demkowicz MJ, Liquid phase

thermodynamics and structures in the Cu-Nb binary system, Modeling and Simulation in Materials Science and Engineering 21, 025005 (2013). ‡§

42. Kolluri K, Demkowicz MJ, Hoagland RG, Liu X-Y, Behavior of vacancies and

interstitials at semicoherent interfaces, JOM 65, 374 (2013). ‡§ 43. Kashinath A*, Misra A, Demkowicz MJ, Stable storage of helium in nanoscale

platelets at semi-coherent interfaces, Physical Review Letters 110, 086101 (2013). ‡§

44. Wang MS, Hanson JP, Gradečak S, Demkowicz MJ, Cutting apart of g¢¢

precipitates by dislocations emitted from nanoscale surface notches in Ni-base alloy 725, Materials Research Letters 1, 77 (2013). ‡

45. Baumer RE*, Demkowicz MJ, Glass transition by gelation in a phase

separating binary alloy, Physical Review Letters 110, 145502 (2013). ‡§ 46. Vattré AJ, Demkowicz MJ, Determining the Burgers vectors and elastic strain

energies of interface dislocation arrays using anisotropic elasticity theory, Acta Materialia 61, 5172 (2013). ‡§


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47. Kashinath A*, Wang P, Majewski J, Baldwin JK, Wang YQ, Demkowicz MJ, Detection of helium bubble formation at fcc-bcc interfaces using neutron reflectometry, Journal of Applied Physics 114, 043505 (2013). ‡§

48. Zhang L*, Demkowicz MJ, Morphological stability of Cu-Nb nanocomposites

under high-energy collision cascades, Applied Physics Letters 103, 061604 (2013). ‡§

49. Han WZ, Demkowicz MJ, Mara NA, Fu EG, Sinha S, Rollett AD, Wang YQ,

Carpenter JS, Beyerlein IJ, Misra A, Design of radiation tolerant materials via interface engineering, Advanced Materials 25, 6975 (2013). ‡

50. Han WZ, Fu EG, Demkowicz MJ, Wang YQ, Misra A, Irradiation Damage of

Single Crystal, Coarse-grained and Nano-grained Copper under Helium Bombardment at 450°C, Journal of Materials Research 28, 2763 (2013). ‡

51. Xu GQ*, Demkowicz MJ, Healing of nanocracks by disclinations, Physical

Review Letters 111, 145501 (2013). ‡§ 52. Skirlo SA*, Demkowicz MJ, Viscoelasticity of stepped interfaces, Applied

Physics Letters 103, 171908 (2013). ‡§ 53. Beyerlein IJ, Caro A, Demkowicz MJ, Mara NA, Misra A, Uberuaga BP,

Radiation damage tolerant nanomaterials, Materials Today 16, 443 (2013). 54. Vattré AJ, Demkowicz MJ, Effect of interface dislocation Burgers vectors on

elastic fields in anisotropic bicrystals, Computational Materials Science 88, 110 (2014). ‡§

55. Baumer RE*, Demkowicz MJ, Prediction of spontaneous plastic deformation

of irradiated metallic glasses due to thermal spike-induced plasticity, Materials Research Letters 2, 221 (2014). ‡§

56. Han WZ, Mara NA, Wang YQ, Misra A, Demkowicz MJ, He implantation of

bulk Cu-Nb nanocomposites fabricated by accumulated roll bonding, Journal of Nuclear Materials 452, 57 (2014). ‡

57. Zhang L*, Demkowicz MJ, Radiation-induced mixing between metals of low

solid solubility, Acta Materialia 76, 135 (2014). ‡§ 58. Zhernenkov M, Gill S, Stanic V, DiMasi E, Kisslinger K, Baldwin JK, Misra A,

Demkowicz MJ, Ecker L, Design of radiation resistant metallic multilayers for advanced nuclear systems, Applied Physics Letters 104, 241906 (2014).


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59. Watkins EB, Kashinath A*, Wang P, Baldwin JK, Majewski J, Demkowicz MJ, Characterization of a Fe/Y2O3 metal/oxide interface using neutron and x-ray scattering, Applied Physics Letters 105, 041601 (2014). ‡§

60. Vattré AJ, Abdolrahim N, Kolluri K, Demkowicz MJ, Computational design of

patterned interfaces using reduced order models, Scientific Reports 4, 6231 (2014). ‡§

61. Yuryev DY*, Demkowicz MJ, Computational design of solid-state interfaces

using O-lattice theory: an application to mitigating helium-induced damage, Applied Physics Letters 105, 221601 (2014). ‡§

62. Vattré AJ, Demkowicz MJ, Partitioning of elastic distortions at a semicoherent

heterophase interface between anisotropic crystals, Acta Materialia 82, 234 (2015). ‡§

63. Baumer RE*, Demkowicz MJ, Radiation response of amorphous metal alloys:

subcascades, thermal spikes, and super-quenched zones, Acta Materialia 83, 419 (2015). ‡§

64. Aggarwal R*, Demkowicz MJ, Marzouk YM, Bayesian inference of substrate

properties from film behavior, Modelling and Simulation in Materials Science and Engineering 23, 015009 (2015). ‡§

65. Seita M, Hanson JP, Gradečak S, Demkowicz MJ, The Dual Role of Coherent

Twins in Hydrogen Embrittlement, Nature Communications 6, 6164 (2015). ‡§ 66. González C, Iglesias R, Demkowicz MJ, Point defect stability in a

semicoherent metallic interface, Physical Review B 91, 064103 (2015). 67. Yu WS, Demkowicz MJ, Non-coherent Cu grain boundaries driven by

continuous vacancy loading, Journal of Materials Science 50, 4047 (2015); June nominee for JMS’s 2015 Cahn award. ‡§

68. Hanson JP, Seita M, Jones E, Gradečak S, Demkowicz MJ, Investigation of

hydrogen embrittlement behavior in precipitation hardened Ni-base alloys, CORROSION 2015, paper no. 05853 (Dallas, TX: NACE, 2015). ‡§

69. Lee TS, Caro A, Demkowicz MJ, Atomistic modeling of radiation-induced

disordering and dissolution at a Ni/Ni3Al interface, Journal of Materials Research 30, 1456 (2015). ‡§

70. Beyerlein IJ, Demkowicz MJ, Misra A, Uberuaga BP, Interface-Defect

Interactions, Progress in Materials Science 74, 125 (2015).


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71. Johnson OK, Li L, Demkowicz MJ, Schuh CA, Inferring Grain Boundary

Structure-Property Relations from Effective Property Measurements, Journal of Materials Science 50, 6907 (2015); November nominee for JMS’s 2015 Cahn award. ‡

72. Ding H, Demkowicz MJ, Hydrogen reverses the clustering tendency of carbon

in amorphous silicon oxycarbide, Scientific Reports 5, 13051 (2015). ‡§ 73. Mujica N, Demowicz MJ, Lund F, Caro A, New horizons for mechanical

spectroscopy in materials science, JOM 67, 1830 (2015). ‡ 74. Baumer RE*, Demkowicz MJ, A "figure of merit" for susceptibility of irradiated

amorphous metal alloys to thermal spike-induced plasticity, Acta Materialia 102, 251 (2016). ‡§

75. Zheng S, Shao S, Zhang J, Wang YQ, Demkowicz MJ, Beyerlein IJ, Mara

NA, Adhesion of voids to interfaces with non-uniform energies, Scientific Reports 5, 15428 (2015).

76. Aggarwal R*, Demkowicz MJ, Marzouk YM, Information-driven experimental

design in materials science, in Information-driven Approaches to Materials Discovery and Design, Lookman T, Alexander F, Rajan K eds. (Springer, 2016). ‡§

77. Demkowicz MJ, Majewski J, Probing interfaces in metals using neutron

reflectometry, Metals 6, 20 (2016). 78. Vattré AJ, Jourdan T, Ding H, Marinica CM, Demkowicz MJ, Non-random

walk diffusion enhances the sink strength of semicoherent interfaces, Nature Communications 7, 10424 (2016). ‡

79. Abdolrahim N, Demkowicz MJ, Determining coherent reference states of

general semicoherent interfaces, Computational Materials Science 118, 297 (2016); Editor’s choice for Vol. 118. ‡§

80. Li N, Demkowicz MJ, Mara N, Wang YQ, Misra A, Hardening due to

interfacial He bubbles in nanolayered composites, Materials Research Letters 4, 75 (2016).

81. Seita M, Volpi M, Patala S, McCue I, Schuh CA, Diamanti MV, Erlebacher J,

Demkowicz MJ, A high-throughput technique for determining grain boundary character non-destructively, Nature Computational Materials 2, 16016 (2016). ‡§


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82. Lin K-J, Ding H, Demkowicz MJ, Formation, migration, and clustering

energies of interstitial He in a-quartz and b-cristobalite, Journal of Nuclear Materials 479, 224 (2016). ‡§

83. Chen-Wiegart YCK, Williams G, Zhao CH, Jiang H, Li L, Demkowicz MJ,

Seita M, Short M, Wada T, Kato H, Chou KW, Petrash S, Catalano J, Yao Y, Murphy A, Zumbulyadis N, Centeno SA, Dybowski C, Thieme J, Early Science Commissioning Results of the Sub-micron Resolution X-ray Spectroscopy Beamline (SRX) in the Field of Materials Science and Engineering, 23rd International Congress on X-ray Optics and Microanalysis, AIP Conf. Proc. 1764, 030004 (2016).

84. Xu G*, Demkowicz MJ, Crack healing in nanocrystalline palladium, Extreme

Mechanics Letters 8, 208 (2016). ‡§ 85. Godet J, Furgeaud C, Pizzagalli L, Demkowicz MJ, Uniform tensile elongation

in Au-Si core-shell nanowires, Extreme Mechanics Letters 8, 151 (2016). 86. Coenen JW, Berger M, Demkowicz MJ, Matveev D, Manhard A, Neu R,

Riesch J, Unterberg B, Wirtz M, Linsmeier C, Plasma-wall interaction of advanced materials, 22nd International Conference on Plasma Surface Interaction in Controlled Fusion Devices, Nuclear Materials and Energy accepted (2016).

87. Bagri A, Hanson JP, Lind J, Kenesei P, Suter RM, Gradečak S, Demkowicz

MJ, Measuring grain boundary character distributions in Ni-base alloy 725 using high-energy diffraction microscopy, Metallurgical and Materials Transactions A 48, 354 (2017). ‡§

88. Seita M, Hanson JP, Gradečak S, Demkowicz MJ, Probabilistic failure criteria

for individual microstructural elements: an application to hydrogen-assisted crack initiation in alloy 725, Journal of Materials Science 52, 2763 (2017); March nominee for JMS’s 2017 Cahn award. ‡§

89. Seita M, Nimerfroh MM, Demkowicz MJ, Acquisition of partial grain

orientation information using optical microscopy, Acta Materialia 123, 70 (2017). §

90. Yuryev DV*, Demkowicz MJ, Modeling growth, coalescence, and stability of

helium precipitates on patterned interfaces, Modelling and Simulation in Materials Science and Engineering 25, 015003 (2017). ‡§


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91. Chen D, Li N, Yuryev DV*, Wen J, Baldwin JK, Demkowicz MJ, Wang YQ, Imaging the in-plane distribution of helium precipitates at a Cu/V interface, Materials Research Letters accepted (2017).

92. Demkowicz MJ, Plurality of inherent states in equiatomic solid solutions,

Physical Review B 95, 094108 (2017). † 93. Su Q, Inoue S, Ishimaru M, Gigax J, Wang T, Ding H, Demkowicz MJ, Shao

L, Nastasi M, Helium irradiation and implantation effects on the structure of amorphous silicon oxycarbide, Scientific Reports accepted (2017).

Manuscripts in review 1. Zhernenkov M, Ding H, Price L, Haskel D, Watkins EB, Majewski J, Shao L,

Demkowicz MJ, Nastasi N, Structure of amorphous/crystalline interfaces in SiOC/Fe nanocomposites, Acta Materialia (2017).

2. Ding H, Demkowicz MJ, Hydrogen enhances the radiation resistance of amorphous silicon oxycarbides, Acta Materialia (2017). ‡§

Invited conference talks 1. “Explaining He accumulation in CuNb multilayers using elastic recoil detection

and atomistic modeling,” Conference on the Application of Accelerators in Research and Industry (CAARI), August 20-25 2006, Fort Worth TX

2. “The He solubility limit in buried Cu-Nb interfaces,” Conference on the

Application of Accelerators in Research and Industry (CAARI), August 10-15 2008, Fort Worth TX

3. “Combining Experiments with Atomistic Modeling to Design Radiation

Damage Resistant Composite Materials,” Conference on the Application of Accelerators in Research and Industry (CAARI), August 10-15 2008, Fort Worth TX

4. “Are all interfaces equally effective as defect sinks?,” Radiation Stability of

Complex Microstructures, September 2-4 2008, Santa Fe NM 5. "Interface structure-driven design of nanocomposite materials,” Materials

Research Society (MRS) 2008 Fall Meeting, Boston MA


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6. “Interfaces and the behavior of nanocomposites under irradiation,” The Minerals, Metals, and Materials Society (TMS) 2009 Spring Meeting, San Francisco CA

7. “Interface- and free surface-dependent behaviors of nanocomposite and

nanoporous materials,” 2009 CINT Users Conference, Los Alamos National Laboratory, Los Alamos NM

8. “Tailoring nanocomposite properties by atomic-scale design of interfaces,”

Materials Research Society (MRS) 2010 Spring Meeting, San Francisco CA 9. “Tailoring nanocomposite properties by atomic-scale design of interfaces,”

Thin film and small-scale mechanical behavior, 2010 Gordon Conference, Colby College, Waterville ME

10. “On the mechanisms of plastic deformation in amorphous and nanocrystalline

silicon”, Materials Research Society (MRS) 2010 Fall Meeting, Boston MA 11. “On the atomic-scale design of metal-metal heterointerfaces,” American

Physical Society (APS) 2011 March Meeting, Dallas TX 12. “Tailoring nanocomposite properties through atomic-scale design of

interfaces,” European Materials Research Society (eMRS), May 2011 Meeting, Nice, France

13. “On the mechanisms of plastic deformation in amorphous and nanocrystalline

silicon,” CECAM Workshop "Multiscale Modelling of Amorphous Materials: from Structure to Mechanical Properties," June 2011, Dublin, Ireland

14. “Predicting and controlling defect and crack interactions with interfaces and

grain boundaries,” Second Meeting of the QMN: Quantitative Micro-Nano Project 2011, Sun Valley Resort ID

15. “Tailoring nanocomposite properties through atomic-scale design of

interfaces,” Sixth MIT Conference on Computational Solid and Fluid Mechanics, June 2011, Cambridge MA

16. “Analytical model for predicting structures and energies of metal-metal

interfaces,” US National Congress on Computational Mechanics, July 2011, Minneapolis MN

17. “Predicting and controlling defect and crack interactions with interfaces and

grain boundaries,” Second International Workshop on the Plasticity of Nanocrystalline Metals, September 2011, Lake Bostal, Germany


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18. “Predicting defect interactions with interfaces and grain boundaries using

misfit dislocation models,” Materials Science and Technology 2011 Conference and Exhibition, October 2011, Columbus OH

19. “The influence of interface sink strength on the reduction of radiation-induced

defect concentrations and fluxes in materials with large interface area per unit volume,” Conference on Computational Physics, October 2011, Gatlinburg TN

20. “The influence of interface sink efficiency on the reduction of radiation-

induced defect concentrations and fluxes in materials with large interface area per unit volume,” Center for Nonlinear Studies (CNLS) Complex Dynamics of Dislocations, Defects, and Interfaces workshop, November 2011, Los Alamos NM

21. “On the feasibility of designing interfaces immune to helium damage,” The

Minerals, Metals, and Materials Society (TMS) 2012 Spring Meeting, Orlando FL

22. “Designing materials for extreme environments,” USC-DOE conference on

Materials Genome: Simulations, Synthesis, Characterization and Manufacturing, April 4-6 2012, Terranea Resort CA

23. “Coarsening by Network Restructuring in Model Nanoporous Gold,” ESMC

2012: 8th European Solid Mechanics Conference, July 2012, Graz, Austria 24. “The effect of grain boundary character on sink efficiency under irradiation,”

Conference on the Application of Accelerators in Research and Industry (CAARI), August 5-10 2012, Fort Worth TX

25. “Using implantation and ion beam analysis methods to develop quantitative

figures of merit for interface radiation response,” Conference on the Application of Accelerators in Research and Industry (CAARI), August 5-10 2012, Fort Worth TX

26. “Enhancing materials performance in extreme environments through design

of interfaces,” MIT Industrial Liaison Program (ILP) conference, November 14-15 2012, Cambridge MA

27. “Plasticity in amorphous alloys under irradiation” (keynote lecture),

International Symposium on Plasticity and Its Current Applications, January 3-8 2013, Nassau, Bahamas


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28. “On the connection between grain boundary structure and intergranular fracture in Ni,” The Minerals, Metals, and Materials Society (TMS) 2013 Spring Meeting, San Antonio TX

29. “Healing of nanocracks by disclinations,” The Minerals, Metals, and Materials

Society (TMS) 2013 Spring Meeting, San Antonio TX 30. “Healing of nanocracks by stress-induced grain boundary migration,”

Materials Research Society (MRS) 2013 Spring Meeting, San Francisco CA 31. “Designer nanocomposite materials for future nuclear reactors” (keynote

lecture), Cleantech Conference and Showcase, May 2013, Washington DC 32. “Atomic scale investigations of cracks at interfaces,” Fourth Meeting of the

QMN: Quantitative Micro-Nano Project, June 2013, Toronto, Canada 33. “Enhancing the ductility of nanocrystalline metals using disclinations,” US

National Congress on Computational Mechanics, July 2013, Charlotte NC 34. “Design of He-resistant materials: from mechanisms to applications” (keynote

lecture), Nanoscale Multilayers workshop, October 2013, Madrid, Spain 35. “The influence of disclinations on mechanical properties of polycrystals,”

Materials Science and Technology 2013 Conference and Exhibition, October 2013, Montreal, Quebec, Canada

36. “Radiation-induced mixing between metals of low solid solubility,” NuMat

2014: The Nuclear Materials Conference, October 2014, Clearwater FL 37. “Radiation-induced super-quenching and plasticity in metallic glasses,”

Materials Research Society (MRS) 2013 Fall Meeting, December 2013, Boston MA

38. “Accurate predictions using imperfect models: an application in materials

research,” Institute for Mathematics and its Applications (IMA) workshop on Uncertainty Quantification in Materials Modeling, December 2014, Minneapolis MN

39. “The influence of disclinations on mechanical properties of polycrystals”

(keynote lecture), International Symposium on Plasticity and Its Current Applications, January 2014, Freeport, Bahamas


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40. “Radiation-induced super-quenching and plasticity in metallic glasses,” The Minerals, Metals, and Materials Society (TMS) 2014 Spring Meeting, San Diego CA

41. “Viscoelasticity of stepped interfaces,” The Minerals, Metals, and Materials

Society (TMS) 2014 Spring Meeting, San Diego CA 42. “Disclinations and the mechanical properties of polycrystals,” The Minerals,

Metals, and Materials Society (TMS) 2014 Spring Meeting, San Diego CA 43. “Calculating wear coefficients from microscale simulations,” The Minerals,

Metals, and Materials Society (TMS) 2014 Spring Meeting, San Diego CA 44. “Glass transition by gelation,” The Minerals, Metals, and Materials Society

(TMS) 2014 Spring Meeting, San Diego CA 45. “Radiation-induced super-quenching and plasticity in metallic glasses,”

American Chemical Society (ACS) March 2014 National Meeting, Dallas TX 46. “Stable storage of helium in nanometer-scale interfacial platelets,” Materials

Research Society (MRS) 2014 Spring Meeting, San Francisco CA 47. “Coupled chemistry, cracking, and time in predictive models: light years

away,” Centre Européen de Calcul Atomique et Moleculaire (CECAM) workshop on “Modeling Metal Failure Across Multiple Scales,” May 2014, Lausanne, Switzerland

48. “Interface design using reduced order mesoscale models,” ICACM workshop

on multiscale materials modeling, Rensselaer Polytechnic Institute, June 2014, Troy NY

49. “Spontaneous plastic deformation of irradiated metallic glasses,” SES Annual

Technical Meeting, Purdue University, October 2014, Lafayette IN 50. “Design of composite materials for outgassing of implanted He,” Joint ICTP-

IAEA Conference on Models and Data for Plasma-Material Interaction in Fusion Devices, November 2014, Trieste, Italy

51. “Glass transition by gelation,” Materials Research Society (MRS) 2014 Fall

Meeting, December 2014, Boston MA 52. “Viscoelasticity of stepped interfaces,” Materials Research Society (MRS)

2014 Fall Meeting, December 2014, Boston MA


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53. “Grain boundary character and H-assisted intergranular fracture in Ni-base superalloys” (keynote lecture), International Symposium on Plasticity and Its Current Applications, January 2015, Montego Bay, Jamaica

54. “Modeling radiation-induced mixing and disordering in high-dose atomistic

simulations,” Materials Research Society (MRS) 2015 Spring Meeting, April 2015, San Francisco CA

55. “Brittle intergranular fracture frustrated by intermittent dislocation emission”,

8th International Workshop on Materials Behavior at the Micro- and Nano- Scale, June 2015, Xi’an, China

56. “Bringing Bayesian methods into the materials modeling mainstream,” NSRC

workshop on big, deep, and smart data, June 2015, Oak Ridge TN 57. “Brittle intergranular fracture frustrated by intermittent dislocation emission,”

13th US National Congress on Computational Mechanics (USNCCM13), July 2015, San Diego CA

58. “Decohesion restrained by emission of dislocations,” AECL Seminar on

Irradiation Damage in Materials, August 2015, Ottawa, Canada 59. “Investigations on buried interfaces,” Center for Nanophase Materials

Sciences annual user meeting, September 2015, Oak Ridge National Laboratory, Oak Ridge TN

60. “Investigating the vacancy sink efficiency of grain boundaries using coupled

experiments and atomistic simulations,” Materials Science and Technology 2015 Conference and Exhibition, October 2015, Columbus OH

61. “Non-random walk diffusion enhances the sink strength of semicoherent

interfaces,” SES Annual Technical Meeting, Texas A&M University, October 2015, College Station TX

62. “Brittle intergranular fracture frustrated by intermittent dislocation emission,”

SES Annual Technical Meeting, Texas A&M University, October 2015, College Station TX

63. “Brittle intergranular fracture frustrated by intermittent dislocation emission”

(keynote lecture), International Symposium on Plasticity and Its Current Applications, January 2016, Kona HI

64. “Grain boundary character and hydrogen-assisted intergranular fracture in Ni-

base alloys” (Keynote), Joint HYDROGENIUS and I2CNER International


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Workshop on Hydrogen-Materials Interactions, February 2016, Kyushu, Japan

65. “Predicting the structure of semicoherent interfaces,” 2016 Oberwolfach

workshop on Mechanics of Materials: Mechanics of Interfaces and Evolving Microstructure, March 2016, Oberwolfach, Germany.

66. “Quantitative inference of failure conditions for individual grain boundaries,”

Engineering Mechanics Institute / Probabilistic Methods Conference, May 2016, Vanderbilt University, Nashville TN.

67. “Towards dislocation-based models of general interfaces in crystals,” 2016

PRISMS Center workshop, August 2016, Ann Arbor MI.

68. “Towards dislocation-based models of general interfaces in crystals,” Dislocations 2016, Purdue University, September 2016, West Lafayette IN.

69. “Nanoporosity induced by helium implantation and how to prevent it,” Second

International Symposium on Nanoporous Materials by Alloy Corrosion, September 2016, Lake Bostal, Germany.

70. “Predicting He behavior at Cu-V interfaces to mitigate He-induced damage in

plasma-facing materials,” 24th Conference on Application of Accelerators in Research and Industry, October-November 2016, Denton TX.

71. “Quantitative inference of failure conditions for individual grain boundaries,”

Materials Research Society (MRS) 2016 Fall Meeting, November-December 2016, Boston MA.

72. “Failure conditions for individual grain boundaries in a Ni-base alloy embrittled

by H,” The Minerals, Metals, and Materials Society (TMS) 2017 Spring Meeting, San Diego CA.

73. “Predicting the evolution of He precipitate networks in metals using phase-

field models,” The Minerals, Metals, and Materials Society (TMS) 2017 Spring Meeting, San Diego CA.

74. “The effect of interface elastic fields on interface sink strengths,” The

Minerals, Metals, and Materials Society (TMS) 2017 Spring Meeting, San Diego CA.

75. “Averting flow localization in metal nanocomposites by tailoring microstructure

morphology,” Materials Research Society (MRS) 2017 Spring Meeting, April 2017, Phoenix AZ.


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76. “Environmentally-induced degradation of coherent twin boundaries,” Materials

Research Society (MRS) 2017 Spring Meeting, April 2017, Phoenix AZ. 77. Title TBA, The Minerals, Metals, and Materials Society (TMS) 2018 Spring

Meeting, Phoenix AZ. Invited seminars 1. “Computer Simulation of Plastic Deformation in Amorphous Si,” Universität

Erlangen-Nürnberg, Nürnberg, Germany, July 2002 2. “Computer Simulation of Plastic Deformation in Amorphous Si,” Danish

Technical University, Lyngby, Denmark, July 2002 3. “Computer Simulation of Plastic Deformation in Amorphous Si,” Paul Scherrer

Institut, Zurich, Switzerland, July 2002 4. “Computer Simulation of Plastic Deformation in Amorphous Si,” Technical

University of Munich, Munich, Germany, July 2002 5. “Computer Simulation of Plastic Deformation in Amorphous Si,” Max-Planck-

Institut für Metallforschung, Stuttgart, Germany, July 2002 6. “Atomistic simulation of plastic deformation in amorphous Si,” Massachusetts

Institute of Technology, Cambridge MA, May 2003 7. “Liquidlike atomic environments as plasticity carriers in a model covalently-

bonded network material: simulation of atomic mechanisms of plastic deformation in a-Si,” Rensselaer Polytechnic Institute, Albany NY, August 2003

8. “Finding the Mechanisms of Plasticity in Amorphous Silicon (a-Si) Using

Atomistic Simulations,” Ames National Laboratory, Ames IA, June 2004 9. “Finding the Mechanisms of Plasticity in Amorphous Silicon (a-Si) Using

Atomistic Simulations,” General Electric Global Research, Niskayuna NY, November 2004


Atomistic Simulations,” University of Minnesota-Twin Cities, Minneapolis MN, December 2004


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11. “Finding the Mechanisms of Plasticity in Amorphous Silicon (a-Si) Using Atomistic Simulations,” Los Alamos National Laboratory, Los Alamos NM, December 2004


Atomistic Simulations,” Brown University, Providence RI, March 2005 13. “Creating radiation damage-resistant materials: the case of CuNb multilayer

composites,” Massachusetts Institute of Technology, Cambridge MA, November 2006

14. “The Effect of Interface Structure on the Reduction of Radiation Damage in

CuNb Multilayers,” New Mexico State University, Las Cruces NM, March 2007

15. “Becoming a better scientist by learning the history of science,” Los Alamos

National Laboratory, Los Alamos NM, May 2007 16. "Postdoctoral Research at LANL and the Los Alamos Postdoc Association,”

Demkowicz MJ, Mara NA, Dougherty LM, Los Alamos National Laboratory, Los Alamos NM, August 2007

17. “Finding the mechanisms of plastic deformation in amorphous and

nanocrystalline silicon by atomistic simulation,” University of Texas at Austin, Austin TX, February 2008

18. “Interface structure and radiation damage resistance in Cu-Nb multilayer

nanocomposites,” Lawrence Livermore National Laboratory, Livermore CA, February 2008

19. “Enabling design of materials by understanding unit mechanisms of atomic

structure evolution,” Columbia University, New York NY, February 2008 20. “Enabling design of materials by understanding unit mechanisms of atomic

structure evolution,” Brown University, Providence RI, March 2008 21. “Enabling design of materials by understanding unit mechanisms of atomic

structure evolution,” Massachusetts Institute of Technology, Cambridge MA, March 2008

22. “Combining experiments with atomistic modeling to design radiation damage

resistant nanocomposites,” Massachusetts Institute of Technology, Cambridge MA, October 6, 2008


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23. “Designing Heterophase Interfaces for Radiation Damage Resistance,” AICES-MIT 2009 Spring School, RWTH Aachen, Germany, March 2009

24. “Combining experiments with atomistic modeling to design radiation damage

resistant nanocomposites,” Harvard University, Cambridge MA, April 30, 2009 25. “Interface structure and radiation damage resistance in Cu-Nb multilayer

nanocomposites,” Université de Poitiers, France, June 12, 2009 26. “Tailoring nanocomposite properties by atomic-scale design of interfaces,”

McMaster University, Ontario, Canada, October 19, 2009 27. “Tailoring nanocomposite properties by atomic-scale design of interfaces,”

MRS MIT chapter, Cambridge MA, October 22, 2009 28. “Atomistic modeling of He at Cu-Nb interfaces,” Los Alamos National

Laboratory, Los Alamos NM, April 2010 29. “On the mechanisms of plastic deformation in amorphous and nanocrystalline

silicon,” University of Poitiers, Poitiers, France, October 2010 30. “On the mechanisms of plastic deformation in amorphous and nanocrystalline

silicon,” Georgia Tech—Lorraine, Metz, France, October 2010 31. “Atomic-scale design of metal-metal heterointerfaces for radiation resistance,”

University of Michigan, Ann Arbor MI, February 2011 32. “On the feasibility of designing materials immune to helium damage,” Harvard

University, Cambridge MA, February 2012 33. “Enhancing materials performance in extreme environments through design

of interfaces,” University of Manchester, UK, July 2012 34. “Enhancing materials performance in extreme environments through design

of interfaces,” National Physical Laboratory, London UK, July 2012 35. “Designing materials immune to helium damage,” University of Houston,

Houston TX, August 2012 36. “Healing of nanocracks by disclinations,” University of Illinois at Urbana-

Champaign, Urbana IL, December 2012 37. “Designing self-healing metals using reduced order mesoscale models,”

McGill University, Montreal, Quebec, Canada, September 2013


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38. “Designing radiation resistant materials using reduced order mesoscale

models,” Georgia Institute of Technology, Atlanta GA, September 2013 39. “Design of structural materials using reduced order mesoscale models,”

Purdue University, West Lafayette, IN, September 2013 40. “Designing metallic glasses with tailored radiation response using reduced

order mesoscale models,” Virginia Tech, Blacksburg, VA, October 2013 41. “Designing metallic glasses with tailored radiation response using reduced

order mesoscale models,” California Institute of Technology, Pasadena, CA, October 2013

42. “Design of helium-resistant materials using reduced order mesoscale

models,” Universität des Saarlandes, Saarbrücken, Germany, November 2013

43. “Designing self-healing metals using reduced order mesoscale models,”

Karlsruhe Institute of Technology, Karlsruhe, Germany, November 2013 44. “Interface design using reduced order mesoscale models,” Georg-August

Universität Göttingen, Göttingen, Germany, November 2013 45. “Design of helium-resistant materials using reduced order mesoscale

models,” Oxford University, Oxford, United Kingdom, November 2013 46. “Radiation-induced super-quenching and plasticity in metallic glasses,”

Thomas Young Society of London, King’s College London, London, United Kingdom, November 2013

47. “Designing metallic glasses with tailored radiation response using reduced

order mesoscale models,” Stanford University, Stanford CA, January 2014 48. “Design of helium-resistant materials using reduced order mesoscale

models,” University of Texas at Austin, Austin TX, March 2014 49. “Healing of nanocracks by disclinations,” ONERA, Paris, France, March 2014 50. “Design of helium-resistant materials using reduced order mesoscale

models,” Federation Francillienne de Mécanique, Ecole des Mines, Paris, France, March 2014


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51. “Radiation-induced super-quenching and plasticity in metallic glasses,” CEA-Saclay, Paris, France, March 2014

52. “Interface design using reduced order mesoscale models,” Carnegie-Mellon

University, Pittsburgh PA, April 2014 53. “Interface design using reduced order mesoscale models,” Massachusetts

Institute of Technology, Cambridge MA, April 2014 54. “Interface design using reduced order mesoscale models,” University of

California in Berkeley, Berkeley CA, April 2014 55. “Interface design using reduced order mesoscale models,” Ohio State

University, Columbus OH, September 2014 56. “Radiation response of amorphous metal alloys,” University of Rhode Island,

Kingston RI, October 2014 57. “Computational materials design using reduced order models: an application

to mitigating helium-induced damage,” University of Pennsylvania, Philadelphia PA, January 2015

58. “Computational materials design using reduced order models: an application

to mitigating helium-induced damage,” Texas A&M University, College Station TX, March 2015


to mitigating helium-induced damage,” University of California-San Diego, San Diego CA, April 2015


to mitigating helium-induced damage,” Brown University, Providence RI, May 2015

61. “Discovering constitutive laws for grain boundaries using high-throughput

experiments,” Stevens Institute of Technology, Hoboken NJ, November 2015 62. “Using microstructure to improve predictions of hydrogen embrittlement,” Rice

University, Houston TX, January 2017


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Research programs (past and ongoing) Enhanced Radiation Damage Resistance via Manipulation of the Properties of Nanoscale Materials

• Sponsor: Los Alamos National Security (LANS), LLC • Project duration: Sept. 2008-Sept. 2011 • Total support: $300,000 (for MJD: $300,000)

MJD role: authored modeling section of proposal; sole modeler on project; studied the behavior of He impurities at metal-metal heterointerfaces. Extreme Environment-Tolerant Materials via Atomic Scale Design of Interfaces

• Sponsor: DOE Office of Science, EFRC program • Project duration: August 2009-August 2014 • Total support: $1,000,000 (for MJD: $1,000,000)

MJD role: authored radiation response section of proposal; led the “irradiation in metals” team (managed ca. 5 senior scientists, 10 postdocs, and 5 students at MIT and LANL); used coupled modeling/experimental studies to understand the connection between atomic-level structure of heterophase metal-metal interfaces their behavior when driven far from equilibrium by radiation. Joint experimental/theoretical investigation of immiscible element nanocomposites

• Sponsor: MIT MISTI-France program • Project duration: Jan. 2009-Aug. 2010 • Total support: $20,000 (for MJD: $20,000)

MJD role: PI; initiated collaboration with Université de Poitiers on wire drawn Cu-Nb nanocomposites. Materials engineering using reduced order micromechanical models

• Sponsor: MIT School of Engineering Research Support Council • Project duration: Sept. 2009-present • Total support: $50,000 (for MJD: $50,000)

MJD role: PI; develop methods for solving inverse problems in multiscale materials modeling to enable computer-based design of new materials. Improved lifetime predictions via mechanistic understanding of ductile-to-brittle transitions at “weakest link” interfaces in Ni-base superalloys

• Sponsor: BP • Project duration: Sept. 2010-Sept. 2015 • Total support: $1,140,746 (for MJD: $569,736)

MJD role: PI; lead team of 2 faculty, 3 postdocs, and 3 students; study the role of grain boundaries in the hydrogen embrittlement in Ni-base superalloys.


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Consortium for Advanced Simulation of LWRs (CASL) • Sponsor: DOE • Project duration: July 2010-July 2014 • Total support: $431,631 (for MJD: $431,631)

MJD role: develop a micromechanical model for wear during grid-to-rod fretting. Connecting interface structure to interface-defect interactions in metals

• Sponsor: NSF CAREER • Project duration: Sept. 2012- Sept. 2016 • Total support: $500,000 (for MJD: $500,000)

MJD role: PI; create quantitative models for interface structure and relate them to transport and mechanical properties. Joining nanocomposites

• Sponsor: MIT MISTI-Germany program • Project duration: Jan. 2012-Aug. 2013 • Total support: $27,000 (for MJD: $27,000)

MJD role: PI; initiated collaboration with TU-Chemnitz on methods for joining nanocomposite materials. Relating the structure and acoustical properties of solid-state interfaces

• Sponsor: MIT MISTI-Chile program • Project duration: Jan. 2012-Aug. 2013 • Total support: $20,660 (for MJD: $20,660)

MJD role: PI; initiated collaboration with Universidad de Chile on investigating interface elastic properties using resonant ultrasound spectroscopy. Radiation tolerance and mechanical properties of nanostructured ceramic/metal composites

• Sponsor: DOE, Nuclear Energy Enabling Technologies (NEET) program • Project duration: Sept. 2012- Sept. 2015 • Total support: $313,530 (for MJD: $313,530)

MJD role: sole modeler on project; perform atomistic simulations on the radiation response of amorphous network formers and their composites with metals. Inferring grain boundary properties from heterogeneous data

• Sponsor: DOE Office of Science, Office of Basic Energy Sciences • Project duration: Sept. 2012- Sept. 2015 • Total support: $900,000 (for MJD: $354,231)

MJD role: PI; develop grain boundary crystallography-property relations for gallium permeation into polycrystalline aluminum by integrating experimental and modeling methods.


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Phase Stability of Multi-Component Nanocomposites under Irradiation • Sponsor: Los Alamos National Laboratory LDRD program • Project duration: Sept. 2012- Sept. 2015 • Total support: $300,000 (for MJD: $300,000)

MJD role: conduct atomistic modeling studies of phase stability in irradiated Ni-Al-Cr alloys. Controlled He outgassing from composite plasma facing materials

• Sponsor: Los Alamos National Laboratory LDRD program • Project duration: Sept. 2014- Sept. 2017 • Total support: $105,000 (for MJD: $105,000)

MJD role: sole modeler on project; design and model interfaces with tailored precipitation of implanted He. Radiation tolerance and mechanical properties of nanostructured amorphous-ceramic/metal composites

• Sponsor: DOE NEET program • Project duration: October 2015- September 2018 • Total support: $197,213 (for MJD: $197,213)

MJD role: sole modeler on project; perform atomistic simulations on the radiation response of amorphous network formers and their composites with metals. Constructing comprehensive models of hydrogen behavior at grain boundaries using high-throughput experiments

• Sponsor: DOE/BES • Project duration: September 2015- May 2016 • Total support: $226,962 (for MJD: $226,962)

MJD role: PI; rapidly construct, analyze, and model an experimental database of hydrogen solubility and diffusivity at thousands of individual grain boundaries in nickel and to determine how local GB plasticity affects these properties. DMREF: Collaborative Research: Designing and synthesizing nano-metallic materials that resist flow localization under mechanical deformation

• Sponsor: NSF • Project duration: September 2015- August 2018 • Total support: $1,450,000 (for MJD: $307,033)

MJD role: PI; design bi-continuous metal nano-composites and nano-porous materials that undergo uniform plastic deformation without flow localization. Consulting Kinectrics, Inc. (June 2014-present).


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Mentorship Bachelor's theses supervised • Rosario, Ryan A., “Topological characterization of nanoporous gold during

coarsening,” June 2012. Current placement: N/A. • Galiano, Kevin, “Investigations of interface elasticity using resonant

ultrasound spectroscopy,” June 2013 (MIT Department of Physics). Current placement: PhD candidate in Physics at the Ohio State University.

• Chesser, Ian, “Simulating the Microstructural Evolution of Rolled Cu-Nb Composites,” June 2016. Current placement: PhD candidate in Materials Science and Engineering at Carnegie Mellon University.

Master's theses supervised • Liu, Tung Yan, “Atomistic modeling of equiatomic solid solutions,” August

2018. Doctoral theses supervised • Baumer, Richard E., “Atomistic Simulations of Radiation Damage in

Amorphous Metal Alloys,” July 2013. Current placement: Dow Chemical Co. • Kashinath, Abishek, “He behavior at fcc-bcc semicoherent interfaces:

trapping, clustering, nucleation, and growth of cavities,” August 2013. Current placement: Saudi Aramco.

• Zhang, Liang, “Modeling Radiation-induced Mixing at Interfaces Between Low Solubility Metals,” January 2014 (MIT Department of Nuclear Science and Engineering). Current placement: Thasos Group.

• Xu, Guoqiang, “Investigating Intergranular Fracture in Nickel via Atomistic Simulations,” October 2015. Current placement: N/A.

• Yuryev, Dina, “Computational Design of Interfaces: Mitigating He Damage in Nuclear Fusion Applications,” January 2017. Current placement: N/A.

• Aggarwal, Raghav, “Inferring grain boundary properties from heterogeneous data,” expected June 2017. (Department of Mechanical Engineering)

• Hayrapetian, Areg V., “Microstructure-level modeling of wear using the discrete element method,” expected June 2017. (Department of Mechanical Engineering)

• Navale, Sanket S., “Machine learning approaches to the analysis of long-time molecular dynamics trajectories,” expected June 2017.

• Jiang, Lai, “Site-specific quantification of hydrogen content in polycrystalline Ni-base alloys,” expected June 2020.

• Mengying Liu, “Mechanisms of hydrogen-assisted crack initiation in Ni-base alloys,” expected June 2020.

Postdoctoral researchers supervised: twelve (three currently in group)


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Student awards • NSF Graduate Fellowships: R. E. Baumer (2009), S. A. Skirlo (2013), I. W.

Chesser (2016) • U.S. Department of Energy Office of Science Graduate Student Research

award: D. V. Yuryev (2014) • Acta Student Award: S. A. Skirlo (2013) • MRS Silver Graduate Student Award: R. E. Baumer (2013) • MRS Best Poster Award: R. E. Baumer (2010) • DOE-BES Energy Frontier Research Center Graduate Student Award: A.

Kashinath (2013) • Outstanding Senior Thesis, MIT Department of Materials Science and

Engineering: I. W. Chesser (2016) • Singapore Science and Engineering Fair 2015 silver medal: F. S. Tseng • ORNL Nuclear Science and Engineering Directorate's student poster session

award: A. V. Hayrapetian (2011, 2nd place) • ASME Tribology Division travel grant to SES 2014 meeting in Providence: A.

V. Hayrapetian (2014) Classes taught MSEN 620: Kinetic Processes in Materials Science Spring 2017 Texas A&M University College Station, TX • Required class for all materials science and engineering PhD students • Developed the entire class content, including syllabus, lectures, lecture notes, website,

assignments, and tests • Student evaluations: N/A ENRG 111: Foundations of Engineering I Fall 2016 Texas A&M University College Station, TX • Introductory class to engineering for freshmen • Instructed a section of ENGR 111 for students in the engineering honors program • Student evaluations: 3.8/5 (mean for all sections: 3.7/5) MSEN/MEEN 625: Mechanical Behavior of Materials Spring 2016 Texas A&M University College Station, TX • Graduate elective class taken primarily by materials science and engineering PhD students • Provided the entire class content, including syllabus, lectures, lecture notes, website,

assignments, and tests • Student evaluations: 4.6/5 (MSEN: 4.5, MEEN: 4.6) 3.22: Mechanical Behavior of Materials Springs 2009-2015 MIT Department of Materials Science and Engineering Cambridge, MA • Required class for all first-year materials science and engineering PhD students • Redeveloped the entire class content, including syllabus, lectures, lecture notes, website,


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assignments, and tests • Student evaluations: 6.5/7 (2015), 6.3/7 (2014), 6.3/7 (2013) • Received 2014 and 2015 Graduate Materials Council outstanding teaching awards for 3.22 3.021: Introduction to Modeling and Simulation Fall 2014 MIT Department of Materials Science and Engineering Cambridge, MA • Elective for materials science and engineering undergraduate students • Developed half of the class content, including syllabus, lectures, website, assignments, and

tests • Last student evaluation: 6.3/7 (2014) 3.33: Defects in Materials Fall 2011 and 2012 MIT Department of Materials Science and Engineering Cambridge, MA • Elective for materials science and engineering graduate students • Developed the entire class content, including syllabus, lectures, lecture notes, website,

assignments, and tests • Last student evaluation: 6.4/7 (2012), 6.3/7 (2011) Service University/departmental committees • TAMU MSEN departmental committees: founder and chair of student awards

committee; member of seminar committee; member of graduate admissions committee (2017); member of MSEN faculty search committee (2017); member and/or chair on several PhD qualifying committees; MSEN SWOT committee (2016)

• TAMU COE committees: MSEN representative on the COE research council (2016); MSEN representative for COE’s Engineering Global Programs (2017)

• TAMU committees: member of the Postdoc Policies Advisory Committee, faculty representative on TAMU Postdoctoral Association steering committee.

• MIT DMSE departmental committees: departmental committee on graduate studies (DCGS), head of graduate general written exam; seminar series (led committee for one year); graduate admissions; two faculty search committees; numerous oral qualifying exam committees

• MIT institute committees: Center for Computation Engineering (CCE) Kambourides Fellowship selection committee (1 year); Center for Design and Optimization (CDO) admissions (1 year); Tech Catholic Community Advisory Board (2009-2015)

Special initiatives • Co-founder and co-organizer of Trajectories Towards Graduate School

(TTGS), an on-campus event at TAMU designed to inform, encourage, and mentor students from underrepresented minorities to pursue graduate degrees in engineering as well as to attract them to the COE at TAMU. The


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first installment of the program was held in the fall of 2016 and is expected to be organized on a yearly basis going forward.

• Lead organizer of Forum on Materials for Sustainable Energy (FMSE), a workshop in 2013 co-organized by MIT-DMSE, University of Stuttgart, and the Max-Planck Institute for Intelligent Systems

• Co-chair of syllabus committee for 2010 summer school “Atomic-level response of materials to irradiation,” organized by three DOE Energy Frontier Research Centers (EFRCs); member of syllabus committee for 2011 summer school.

Meeting organization • Lead organizer for spring TMS 2010 symposium “Solid-State Interfaces:

towards an atomistic understanding of structure, properties, and behavior through theory and experiment”

• Co-organizer of fall MRS 2010 symposium “Nanostructured Materials in Harsh Environments”

• Co-organizer of fall MRS 2012 symposium “Structure-Property Relations in Amorphous Solids”

• Co-organizer of spring TMS 2013 symposium “Computational Thermodynamics and Kinetics”

• Co-organizer of spring TMS 2015 symposium “New Horizons for Mechanical Spectroscopy in Materials Science”

• Co-organizer of fall MRS 2015 symposium “Microstructure Evolution and Mechanical Properties in Interface-dominated Metallic Materials”

• Co-organizer of spring TMS 2016 symposium “Nanostructured Materials for Nuclear Applications”

• Co-organizer of spring TMS 2017 symposium “Interface-Mediated Properties of Nanostructured Materials”

• Lead organizer of spring MRS 2018 symposium “Nano-metallic materials by design”

Activities within professional organizations • Member of the selection committee for TMS Educator, William Hume-

Rothery, and Early Career Faculty Fellow awards (2014-2016) • Member of the selection committee for the JOM structural materials division

best paper award (2015) • Member of the TMS Chemistry and Physics of Materials Committee (2008-

present) Editorial • Member of the Advisory Editorial Board for the Journal of Nuclear Materials

(2014-present) • Member of the Editorial Board for Scientific Reports (2015-present) • Member of the Editorial Board for Materials Theory (2016-present)


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• Co-editor of a special section entitled “Solid State Interfaces: Toward and Atomistic-scale Understanding of Structure, Properties, and Behavior” in the December 2011 issue of JOM

• Co-editor of a special section entitled “New Horizons for Mechanical Spectroscopy in Materials Science” in the August 2015 issue of JOM

Advisory boards • Nuclear Process Science Initiative (NPSI), Pacific Northwest National

Laboratory (2015-present) Reviewing • Journals: Science, Nature, Nature Materials, Nature Communications, Nature

Nanotechnology, Nature Asia, PNAS, PRL, PRB, PRE, Acta Materialia, Scripta Materialia, Journal of Nuclear Materials, Metallurgical and Materials Transactions A, Journal of Materials Science, Journal of Applied Physics, Applied Physics Letters, Philosophical Magazine, Journal of Materials Research, Modelling and Simulation in Materials Science and Engineering, JOM, Nano Letters, Chemistry of Materials, PLOS ONE, Langmuir, Computational Materials Science, Thin Solid Films, and others

• Proposals: DOE Office of Basic Energy Sciences, DOE Office of Fusion Energy Sciences, DOE Office of Nuclear Energy, DOE ASCR Leadership Computing Challenge, Defense Threat Reduction Agency (DTRA), National Science Foundation (NSF), Army Research Office (ARO), Swiss National Science Foundation (SNSF), Chilean National Fund for Scientific and Technological Development (FONDECYT), MIT MISTI program, CINT user program, PAZY Foundation, and others

Workshop participation • National Research Council dissemination forum on ICME (Integrated

Computational Materials Engineering), December 10, 2008 • DOE Office of Fusion Energy Sciences (OFES) Research Needs Workshop

(ReNeW), Los Angeles CA, March 3, 2009 • DOE NNSA/ASCR, “Scientific Grand Challenges for National Security: the

role of computing at the extreme scale,” Washington DC, October 6-8, 2009 • DOE, “Nuclear Materials Compatibility Workshop,” Golden CO, September

13-15, 2011 • DOE, “NanoNuclear 2012,” Washington DC, June 6-8, 2012 • IMA/NIST “Uncertainty Quantification in Materials Modeling” Workshop,

Minneapolis MN, Dec. 16-17, 2013 • Centre Européen de Calcul Atomique et Moleculaire (CECAM) workshop on

“Modeling Metal Failure Across Multiple Scales,” Lausanne, Switzerland, May 26-27, 2014

• ICACM workshop on multiscale materials modeling, Rensselaer Polytechnic Institute, Troy NY, June 10-12, 2014


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• DOE NE-SE Information Exchange Meeting, Washington DC, September 17, 2014

• NSRC workshop on big, deep, and smart data, June 2015, Oak Ridge TN • Basic Research Needs for Environmental Management: New science

approaches to accelerate the rate and efficacy of nuclear waste processing and disposition (BRN-EM), July 2015, Bethesda MD

• PNNL Workshop on Complex Interfaces, October 2015, Richland WA • Advanced Manufacturing Office-U.S. DOE workshop on Materials for Harsh

Service Conditions, November 2015, Pittsburgh PA • Mathematisches Forschungsinstitut Oberwolfach, “Mechanics of Materials:

Mechanics of Interfaces and Evolving Microstructure,” March 2016, Oberwolfach, Germany

• Toyota Research Institute workshop, June 2016, Cambridge MA

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