Selected Publications


Mathieu Bauchy, Ph.D.


List of all publications of M. Bauchy

  1. Nanoscale Composition-Texture-Property-Relation in Calcium-Silicate-Hydrates
    MJA Qomi, M Bauchy, RJM Pellenq

    Handbook of Materials Modeling, 2018

  2. Effect of irradiation on silicate aggregates’ density and stiffness
    NMA Krishnan, Y Le Pape, G Sant, M Bauchy
    Journal of Nuclear Materials, 2018
  3. Effects of Polydispersity and Disorder on the Mechanical Properties of Hydrated Silicate Gels
    H Liu, S Dong, L Tang, NMA Krishnan, G Sant, M Bauchy
    Journal of the Mechanics and Physics of Solids, 2018
  4. Glass relaxation and hysteresis of the glass transition by molecular dynamics simulations
    Z Liu, Y Hu, X Li, W Song, S Goyal, M Micoulaut, M Bauchy
    Physical Review B 98(10), 104205, 2018
  5. Steel corrosion inhibition by calcium nitrate in halide-enriched completion fluid environments
    S Dong, EC La Plante, X Chen, M Torabzadegan, M Balonis, M Bauchy, G Sant
    npj Materials Degradation 2 (1), 32, 2018
  6. Anomalous variations in the viscous activation energy of suspensions induced by fractal structuring
    J Timmons, G Falzone, M Balonis, M Bauchy, G Sant
    Journal of colloid and interface science 530, 603-609, 2018
  7. Competitive effects of modifier charge and size on mechanical and chemical resistance of aluminoborate glasses
    N Mascaraque, KF Frederiksen, K Januchta, RE Youngman, M Bauchy, …
    Journal of Non-Crystalline Solids 499, 264-271, 2018
  8. New insights into the atomic structure of amorphous TiO2 using tight-binding molecular dynamics
    K Yang, A Kachmar, B Wang, NMA Krishnan, M Balonis, G Sant, M Bauchy
    The Journal of chemical physics 149 (9), 094501, 2018
  9. Topological optimization of cementitious binders: Advances and challenges
    H Liu, T Du, NMA Krishnan, H Li, M Bauchy
    Cement and Concrete Composites, 2018
  10. Role of Electrochemical Surface Potential and Irradiation on Garnet-Type Almandine’s Dissolution Kinetics
    YH Hsiao, EC La Plante, NMA Krishnan, HA Dobbs, Y Le Pape, M Bauchy
    The Journal of Physical Chemistry C 122 (30), 17268-17277, 2018
  11. Combining high hardness and crack resistance in mixed network glasses through high-temperature densification
    S Kapoor, K Januchta, RE Youngman, X Guo, JC Mauro, M Bauchy, …
    Physical Review Materials 2 (6), 063603, 2018
  12. New insights into the sol–gel condensation of silica by reactive molecular dynamics simulations
    T Du, H Li, G Sant, M Bauchy
    The Journal of Chemical Physics 148 (23), 234504, 2018
  13. Topological Phases of Chalcogenide Glasses Encoded in the Melt Dynamics
    P Boolchand, M Bauchy, M Micoulaut, C Yildirim
    physica status solidi (b) 255 (6), 1870122, 2018
  14. Hardness of silicate glasses: Atomic-scale origin of the mixed modifier effect
    Y Yu, M Wang, NMA Krishnan, MM Smedskjaer, KD Vargheese, M Bauchy
    Journal of Non-Crystalline Solids 489, 16-21, 2018
  15. Direct observation of pitting corrosion evolutions on carbon steel surfaces at the nano-to-micro-scales
    P Guo, EC La Plante, B Wang, X Chen, M Balonis, M Bauchy, G Sant
    Scientific reports 8 (1), 7990, 2018
  16. Structural Dependence of Chemical Durability in Modified Aluminoborate Glasses
    N Mascaraque, K Januchta, KF Frederiksen, RE Youngman, M Bauchy, …
    arXiv preprint arXiv:1805.05191, 2018
  17. A new transferable interatomic potential for molecular dynamics simulations of borosilicate glasses
    M Wang, NMA Krishnan, B Wang, MM Smedskjaer, JC Mauro, M Bauchy
    Journal of Non-Crystalline Solids, 2018
  18. Temperature-modulated differential scanning calorimetry analysis of high-temperature silicate glasses
    TK Bechgaard, O Gulbiten, JC Mauro, Y Hu, M Bauchy, MM Smedskjaer
    arXiv preprint arXiv:1805.01433, 2018
  19. Structural Compromise between High Hardness and Crack Resistance in Aluminoborate Glasses
    KF Frederiksen, K Januchta, N Mascaraque, RE Youngman, M Bauchy, …
    The Journal of Physical Chemistry B, 2018
  20.  Predicting the dissolution kinetics of silicate glasses using machine learning
    NMA Krishnan, S Mangalathu, MM Smedskjaer, A Tandia, H Burton, M Bauchy
    Journal of Non-Crystalline Solids 487, 37-45, 2018
  21. The hydrophilic-to-hydrophobic transition in glassy silica is driven by the atomic topology of its surface
    Y Yu, NMA Krishnan, MM Smedskjaer, G Sant, M Bauchy
    The Journal of chemical physics 148 (7), 074503, 2018
  22. Rate controls on silicate dissolution in cementitious environments
    T Oey, YH Hsiao, E Callagon, B Wang, M Bauchy, GN Sant
    RILEM Technical Letters 2, 67-73, 2017
  23. Topological controls on the dissolution kinetics of glassy aluminosilicates
    T Oey, A Kumar, I Pignatelli, Y Yu, N Neithalath, JW Bullard, M Bauchy, …
    Journal of the American Ceramic Society 100 (12), 5521-5527, 2017
  24. Modifier field strength effects on densification behavior and mechanical properties of alkali aluminoborate glasses
    K Januchta, M Bauchy, RE Youngman, SJ Rzoska, M Bockowski, …
    Physical Review Materials 1 (6), 063603, 2017
  25. Topological Origin of the Network Dilation Anomaly in Ion-Exchanged Glasses
    M Wang, MM Smedskjaer, JC Mauro, G Sant, M Bauchy
    Physical Review Applied 8 (5), 054040, 2017
  26. Irradiation-driven amorphous-to-glassy transition in quartz: The crucial role of the medium-range order in crystallization
    NMA Krishnan, B Wang, Y Le Pape, G Sant, M Bauchy
    Physical Review Materials 1 (5), 053405, 2017
  27. Effects of irradiation on albite’s chemical durability
    YH Hsiao, EC La Plante, NMA Krishnan, Y Le Pape, N Neithalath, M Bauchy
    The Journal of Physical Chemistry A 121 (41), 7835-7845, 2017
  28. An improved basis for characterizing the suitability of fly ash as a cement replacement agent
    T Oey, J Timmons, P Stutzman, JW Bullard, M Balonis, M Bauchy, G Sant
    Journal of the American Ceramic Society 100 (10), 4785-4800, 2017
  29. Dissolution kinetics of hot compressed oxide glasses
    N Mascaraque, M Bauchy, JLG Fierro, SJ Rzoska, M Bockowski, M Bauchy
    The Journal of Physical Chemistry B 121 (38), 9063-9072, 2017
  30. Revealing the Effect of Irradiation on Cement Hydrates: Evidence of a Topological Self-Organization
    NMA Krishnan, B Wang, G Sant, JC Phillips, M Bauchy
    ACS applied materials & interfaces 9 (37), 32377-32385, 2017
  31. Thermometer effect: Origin of the mixed alkali effect in glass relaxation
    Y Yu, M Wang, MM Smedskjaer, JC Mauro, G Sant, M Bauchy
    Physical review letters 119 (9), 095501, 2017
  32. Cooling rate effects in sodium silicate glasses: Bridging the gap between molecular dynamics simulations and experiments
    X Li, W Song, K Yang, NMA Krishnan, B Wang, MM Smedskjaer, M Bauchy
    The Journal of chemical physics 147 (7), 074501, 2017
  33.  Enthalpy landscape dictates the irradiation-induced disordering of quartz
    NMA Krishnan, B Wang, Y Yu, Y Le Pape, G Sant, M Bauchy
    Physical Review X 7 (3), 031019, 2017
  34. Topological control on the structural relaxation of atomic networks under stress
    M Bauchy, M Wang, Y Yu, B Wang, NMA Krishnan, E Masoero, FJ Ulm, …
    Physical Review Letters 119 (3), 035502, 2017
  35. The filler effect: The influence of filler content and type on the hydration rate of tricalcium silicate
    A Kumar, T Oey, G Falzone, J Huang, M Bauchy, M Balonis, N Neithalath, …
    Journal of the American Ceramic Society 100 (7), 3316-3328, 2017
  36. Discovery of ultra-crack-resistant oxide glasses with adaptive networks
    K Januchta, RE Youngman, A Goel, M Bauchy, SL Logunov, SJ Rzoska, …
    Chemistry of Materials 29 (14), 5865-5876, 2017
  37. Methodology for Estimation of Nanoscale Hardness via Atomistic Simulations
    MJ Abdolhosseini Qomi, D Ebrahimi, M Bauchy, R Pellenq, FJ Ulm
    Journal of Nanomechanics and Micromechanics 7 (4), 04017011, 2017
  38. Irradiation- vs. vitrification-induced disordering: The case of -quartz and glassy silica
    NMA Krishnan, B Wang, Y Le Pape, G Sant, M Bauchy
    The Journal of Chemical Physics 146 (20), 204502, 2017
  39.  Evidence for Anomalous Dynamic Heterogeneities in Isostatic Supercooled Liquids
    M Micoulaut, M Bauchy
    Physical Review Letters 118 (14), 145502, 2017
  40. Irradiation-induced topological transition in SiO 2: Structural signature of networks’ rigidity
    B Wang, NMA Krishnan, Y Yu, M Wang, Y Le Pape, G Sant, M Bauchy
    Journal of Non-Crystalline Solids 463, 25-30, 2017
  41. Fragility and configurational heat capacity of calcium aluminosilicate glass-forming liquids
    TK Bechgaard, JC Mauro, M Bauchy, Y Yue, LA Lamberson, LR Jensen, …
    Journal of Non-Crystalline Solids 461, 24-34, 2017
  42. Structural origin of high crack resistance in sodium aluminoborate glasses
    K Januchta, RE Youngman, A Goel, M Bauchy, SJ Rzoska, M Bockowski, …
    Journal of Non-Crystalline Solids 460, 54-65, 2017
  43. Correlating the Network Topology of Oxide Glasses with their Chemical Durability
    N Mascaraque, M Bauchy, MM Smedskjaer
    The Journal of Physical Chemistry B, 2017
  44. Stretched Exponential Relaxation of Glasses: Origin of the Mixed-Alkali Effect
    Y. Yu, J. C. Mauro, M Bauchy
    American Ceramic Society Bulletin 96, 34-36, 2017
  45. Ion exchange strengthening and thermal expansion of glasses: Common origin and critical role of network connectivity
    M Wang, B Wang, NMA Krishnan, Y Yu, MM Smedskjaer, JC Mauro, M. Bauchy
    Journal of Non-Crystalline Solids 455, 70-74, 2017
  46. Nanoengineering of concrete via topological constraint theory
    M Bauchy
    MRS Bulletin 42 (1), 50-54, 2017
  47. Fracture toughness anomalies: Viewpoint of topological constraint theory
    M Bauchy, B Wang, M Wang, Y Yu, MJA Qomi, MM Smedskjaer, …
    Acta Materialia 121, 234-239, 2016
  48. Crucial effect of angular flexibility on the fracture toughness and nano-ductility of aluminosilicate glasses
    M Wang, B Wang, TK Bechgaard, JC Mauro, SJ Rzoska, M Bockowski, MM Smedskjaer, M Bauchy
    Journal of Non-Crystalline Solids 454, 46-51, 2016
  49. Monovalent Ion Exchange Kinetics of Hydrated Calcium-Alumino Layered Double Hydroxides
    G Puerta-Falla, M Balonis, G Falzone, M Bauchy, N Neithalath, G Sant
    Industrial & Engineering Chemistry Research, 2016
  50. NMA Krishnan, B Wang, G Falzone, Y Le Pape, N Neithalath, L Pilon, M Bauchy, G Sant
    ACS Applied Materials & Interfaces, 2016
  51. Y Yu, B Wang, M Wang, G Sant, M Bauchy
    International Journal of Applied Glass Science, 2016
  52. I Pignatelli, A Kumar, K Shah, M Balonis, M Bauchy, B Wu, G Sant
    Dental Materials 32 (10), e251-e261, 2016
  53. The influences of soft and stiff inclusions on the mechanical properties of cementitious composites
    G Falzone, GP Falla, Z Wei, M Zhao, A Kumar, M Bauchy, N Neithalath, …
    Cement and Concrete Composites 71, 153-165, 2016
  54. A dissolution-precipitation mechanism is at the origin of concrete creep in moist environments
    I Pignatelli, A Kumar, R Alizadeh, Y Le Pape, M Bauchy, G Sant
    The Journal of Chemical Physics 145 (5), 054701, 2016
  55. Revisiting silica with ReaxFF: Towards improved predictions of glass structure and properties via reactive molecular dynamics
    Y Yu, B Wang, M Wang, G Sant, M Bauchy
    Journal of Non-Crystalline Solids 443, 148-154, 2016
  56. Misfit Stresses Caused by Atomic Size Mismatch: The Origin of Doping-Induced Destabilization of Dicalcium Silicate
    P Guo, B Wang, M Bauchy, G Sant
    Crystal Growth & Design 16 (6), 3124-3132, 2016
  57. Topological Control on Silicates’ Dissolution Kinetics
    I Pignatelli, A Kumar, M Bauchy, G Sant
    Langmuir 32 (18), 4434-4439, 2016
  58.  Effects of Thermal and Pressure Histories on the Chemical Strengthening of Sodium Aluminosilicate Glass
    MN Svenson, LM Thirion, RE Youngman, JC Mauro, M Bauchy, …
    Frontiers in Materials 3, 14, 2016
  59. The Influence of Water Activity on the Hydration Rate of Tricalcium Silicate
    T Oey, A Kumar, G Falzone, J Huang, S Kennison, M Bauchy, …
    Journal of the American Ceramic Society, 2016
  60. Mesoscale texture of cement hydrates
    K Ioannidou, KJ Krakowiak, M Bauchy, CG Hoover, E Masoero, S Yip, …
    Proceedings of the National Academy of Sciences, 201520487, 2016
  61. Nanoductility in silicate glasses is driven by topological heterogeneity
    B Wang, Y Yu, M Wang, J Mauro, M Bauchy
    Physical Review B 93 (6), 064202, 2016
  62. Direct Experimental Evidence for Differing Reactivity Alterations of Minerals following Irradiation: The Case of Calcite and Quartz
    I Pignatelli, A Kumar, KG Field, B Wang, Y Yu, YL Pape, M Bauchy, G Sant
    Scientific Reports 6, 20155, 2016
  63. Stretched Exponential Relaxation of Glasses at Low Temperature
    Y Yu, M Wang, D Zhang, B Wang, G Sant, M Bauchy
    Physical Review Letters 115, 165901, 2015
  64. Sub-critical crack growth in silicate glasses: Role of network topology
    MM Smedskjaer, M Bauchy
    Applied Physics Letters 107 (14), 141901, 2015
  65. Cycling through the glass transition: Evidence for reversibility windows and dynamic anomalies
    B Mantisi, M Bauchy, M Micoulaut
    Physical Review B 92 (13), 134201, 2015
  66. Unique effects of thermal and pressure histories on glass hardness: Structural and topological origin
    MM Smedskjaer, M Bauchy, JC Mauro, SJ Rzoska, M Bockowski
    The Journal of Chemical Physics 143 (16), 164505, 2015
  67. Electronic Origin of Doping-Induced Enhancements of Reactivity: Case Study of Tricalcium Silicate
    J Huang, B Wang, Y Yu, L Valenzano, M Bauchy, G Sant
    The Journal of Physical Chemistry C, 2015
  68. CSH across Length Scales: From Nano to Micron
    MJA Qomi, E Masoero, M Bauchy, FJ Ulm, E Del Gado, RJM Pellenq
    CONCREEP 10, 39-48, 2015
  69. Kinetic simulations of cement creep: mechanisms from shear deformations of glasses
    E Masoero, M Bauchy, E Del Gado, H Manzano, RM Pellenq, FJ Ulm
    CONCREEP 10, 39-48, 2015
  70. Creep of Bulk C-S-H: Insights from Molecular Dynamics Simulations
    M. Bauchy, E. Masoero, F.-J. Ulm, R. Pellenq
    CONCREEP 10, 511-516, 2015
  71. Nature of radiation-induced defects in quartz
    B Wang, Y Yu, I Pignatelli, G Sant, M Bauchy
    The Journal of Physical Chemistry 143, 024505, 2015
  72. Linking Fly Ash Composition to Performance in Cementitious Systems
    T Oey, J Bullard, P Stutzmann, M Zhao, A Kumar, M Bauchy, G Sant
    World of Coal Ash Conference, 2015
  73. The Direct Carbonation of Ca (OH) 2 using Liquid and Supercritical CO2: Implications on Carbon-Neutral Cementation
    K Vance, G Falzone, I Pignatelli, M Bauchy, M Balonis, G Sant
    Industrial & Engineering Chemistry Research, 2015
  74. The influence of filler type and surface area on the hydration rates of calcium aluminate cement
    G Puerta-Falla, A Kumar, L Gomez-Zamorano, M Bauchy, N Neithalath, G Sant
    Construction and Building Materials 96, 657-665, 2015
  75. Polymorphism and Its Implications on Structure-Property Correlation in Calcium-Silicate-Hydrates
    MJA Qomi, M Bauchy, FJ Ulm, R Pellenq
    Nanotechnology in Construction, 99-108, 2015
  76. Topological Constraints, Rigidity Transitions, and Anomalies in Molecular Networks
    M Micoulaut, M Bauchy, H Flores-Ruiz
    Molecular Dynamics Simulations of Disordered Materials, 275-311, 2015
  77. Fracture toughness of calcium–silicate–hydrate from molecular dynamics simulations
    M Bauchy, H Laubie, MJA Qomi, CG Hoover, FJ Ulm, RJM Pellenq
    Journal of Non-Crystalline Solids 419, 58-64, 2015
  78. Rigidity Transition in Materials: Hardness is Driven by Weak Atomic Constraints
    M Bauchy, MJA Qomi, C Bichara, FJ Ulm, RJM Pellenq
    Physical Review Letters 114 (12), 125502, 2015
  79. Densified network glasses and liquids with thermodynamically reversible and structurally adaptive behaviour
    M Bauchy, M Micoulaut
    Nature Communications 6, 2015
  80. Intrinsic Nano-Ductility of Glasses: The Critical Role of Composition
    B Wang, Y Yu, YJ Lee, M Bauchy
    Name: Frontiers in Materials 2 (11), 2015
  81. Fracture Toughness of Silicate Glasses: Insights from Molecular Dynamics Simulations
    Y Yu, B Wang, YJ Lee, M Bauchy
    MRS Proceedings 1757, 2015
  82.  Structural, dynamic, electronic, and vibrational properties of flexible, intermediate...
    M Bauchy, A Kachmar, M Micoulaut
    The Journal of chemical physics 141 (19), 194506, 2014
  83. Combinatorial molecular optimization of cement hydrates
    M.J. Abdolhosseini Qomi, K.J. Krakowiak, M. Bauchy, K.L. Stewart, R …
    Nature Communications 5, 4960, 2014
  84. Order and disorder in calcium–silicate–hydrate
    M Bauchy, MJA Qomi, FJ Ulm, RJM Pellenq
    The Journal of Chemical Physics 140 (21), 214503, 2014
  85. Nanoscale Structure of Cement: the Viewpoint of Rigidity Theory
    M Bauchy, MJ Abdolhosseini Qomi, C Bichara, FJ Ulm, RJM Pellenq
    The Journal of Physical Chemistry C, 2014
  86. Is cement a glassy material?
    M Bauchy, MA Qomi, RJM Pellenq, FJ Ulm
    Computational Modelling of Concrete Structures, 169, 2014
  87. Anomalous composition-dependent dynamics of nanoconfined water in the interlayer of disordered calcium-silicates
    MJ Abdolhosseini Qomi, M Bauchy, FJ Ulm, RJM Pellenq
    Journal of Chemical Physics 140 (5), 054515, 2014
  88. 16) Structural, vibrational, and elastic properties of a calcium aluminosilicate glass from molecular dynamics simulations: the role of the potential
    M Bauchy
    Journal of Chemical Physics 141, 024507, 2014
  89. 15) Percolative heterogeneous topological constraints and fragility in glass-forming liquids
    M Bauchy, M Micoulaut
    EPL (Europhysics Letters) 104 (5), 56002, 2013
  90. 14) Structure of As2Se3 and AsSe network glasses: Evidence for coordination defects and homopolar bonding
    M Bauchy, M Micoulaut
    Journal of Non-Crystalline Solids 377, 34-38, 2013
  91. Structure, topology, rings, and vibrational and electronic properties of Ge_x Se_1−x glasses across the rigidity transition: A numerical study
    M Micoulaut, A Kachmar, M Bauchy, S Le Roux, C Massobrio, M Boero
    Physical Review B 88 (5), 054203, 2013
  92. Viscosity and viscosity anomalies of model silicates and magmas: A numerical investigation
    M Bauchy, B Guillot, M Micoulaut, N Sator
    Chemical Geology 346, 47-56, 2013
  93. Anomalies of the first sharp diffraction peak in network glasses: Evidence for correlations with dynamic and rigidity properties
    M Micoulaut, M Bauchy
    physica status solidi (b) 250 (5), 976-982, 2013
  94. Compositional Thresholds and Anomalies in Connection with Stiffness Transitions in Network Glasses
    M Bauchy, M Micoulaut, M Boero, C Massobrio
    Physical Review Letters 110 (16), 165501, 2013
  95. Transport anomalies and adaptative pressure-dependent topological constraints in tetrahedral liquids: evidence for a reversibility window analogue
    M Bauchy, M Micoulaut
    Physical Review Letters 110 (9), 095501, 2013
  96. Structure and dynamics of liquid AsSe4 from ab initio molecular dynamics simulation
    M Bauchy
    Journal of Non-Crystalline Solids, 2013
  97. Applying Tools from Glass Science to Study Calcium-Silicate-Hydrates
    MJA Qomi, M Bauchy, RJM Pellenq, FJ Ulm
    Mechanics and Physics of Creep, Shrinkage, and Durability of Concrete: A …, 2013
  98. Structural, vibrational, and thermal properties of densified silicates: Insights from molecular dynamics
    M Bauchy
    Journal of Chemical Physics 137 (4), 044510, 2012
  99. Topological constraints and rigidity of network glasses from molecular dynamics simulations
    M Bauchy
    AMERICAN CERAMIC SOCIETY BULLETIN 91 (4), 34-38, 2012
  100. Angular rigidity in tetrahedral network glasses with changing composition
    M Bauchy, M Micoulaut, M Celino, S Le Roux, M Boero, C Massobrio
    Physical Review B 84 (5), 054201, 2011
  101. Atomic scale foundation of temperature-dependent bonding constraints in network glasses and liquids
    M Bauchy, M Micoulaut
    Journal of Non-Crystalline Solids 357 (14), 2530-2537, 2011
  102. From pockets to channels: Density-controlled diffusion in sodium silicates
    M Bauchy, M Micoulaut
    Physical Review B 83 (18), 184118, 2011
  103. Dynamics of slab tear faults: Insights from numerical modelling
    AJ Hale, KD Gottschaldt, G Rosenbaum, L Bourgouin, M Bauchy, …
    Tectonophysics 483 (1), 58-70, 2010