She, Z.; Wei, Z.; Young, B. A.; Falzone, G.; Neithalath, N.; Sant, G.; Pilon, L. Examining the Effects of Microencapsulated Phase Change Materials on Early-Age Temperature Evolutions in Realistic Pavement Geometries. Cem. Concr. Comp. 2019, 103, 149–159. https://doi.org/10.1016/j.cemconcomp.2019.04.002.

Ketel, S.; Falzone, G.; Wang, B.; Washburn, N.; Sant, G. A Printability Index for Linking Slurry Rheology to the Geometrical Attributes of 3D-Printed Components. Cem. Concr. Comp. 2019, 101, 32–43. https://doi.org/10.1016/j.cemconcomp.2018.03.022.

Balonis, M.; Sant, G.; Burkan Isgor, O. Mitigating Steel Corrosion in Reinforced Concrete Using Functional Coatings, Corrosion Inhibitors, and Atomistic Simulations. Cem. Concr. Comp. 2019, 101, 15–23. https://doi.org/10.1016/j.cemconcomp.2018.08.006.

Das, S.; Hoffarth, C.; Ren, B.; Spencer, B.; Sant, G.; Rajan, S. D.; Neithalath, N. Simulating the Fracture of Notched Mortar Beams through Extended Finite-Element Method and Peridynamics. J. Eng. Mech. 2019, 145 (7), 04019049. https://doi.org/10.1061/(ASCE)EM.1943-7889.0001628.

Nair, S. A. O.; Alghamdi, H.; Arora, A.; Mehdipour, I.; Sant, G.; Neithalath, N. Linking Fresh Paste Microstructure, Rheology and Extrusion Characteristics of Cementitious Binders for 3D Printing. J. Am. Ceram. Soc. 2019, 102 (7), 3951–3964. https://doi.org/10.1111/jace.16305.

Du, T.; Li, H.; Zhou, Q.; Wang, Z.; Sant, G.; Ryan, J. V.; Bauchy, M. Chemical Composition of Calcium-Silicate-Hydrate Gels: Competition between Kinetics and Thermodynamics. Phys. Rev. Materials 2019, 3 (6), 065603. https://doi.org/10.1103/PhysRevMaterials.3.065603.

Liu, H.; Tang, L.; Krishnan, N. M. A.; Sant, G.; Bauchy, M. Structural Percolation Controls the Precipitation Kinetics of Colloidal Calcium–Silicate–Hydrate Gels. J. Phys. D: Appl. Phys. 2019, 52 (31), 315301. https://doi.org/10.1088/1361-6463/ab217b.

Yu, Z.; Okoronkwo, M. U.; Sant, G.; Misture, S. T.; Wang, B. Understanding Oxygen Nonstoichiometry in Mayenite: From Electride to Oxygen Radical Clathrate. J. Phys. Chem. C 2019, 123 (18), 11982–11992. https://doi.org/10.1021/acs.jpcc.9b01995.

Liu, H.; Dong, S.; Tang, L.; Anoop Krishnan, N. M.; Masoero, E.; Sant, G.; Bauchy, M. Long-Term Creep Deformations in Colloidal Calcium–Silicate–Hydrate Gels by Accelerated Aging Simulations. J. Coll. Interf. Sci. 2019, 542, 339–346. https://doi.org/10.1016/j.jcis.2019.02.022.

Krishnan, N. M. A.; Ravinder, R.; Kumar, R.; Le Pape, Y.; Sant, G.; Bauchy, M. Density–Stiffness Scaling in Minerals upon Disordering: Irradiation vs. Vitrification. Acta Materialia 2019, 166, 611–617. https://doi.org/10.1016/j.actamat.2019.01.015.

La Plante, E. C.; Oey, T.; Hsiao, Y.-H.; Perry, L.; Bullard, J. W.; Sant, G. Enhancing Silicate Dissolution Kinetics in Hyperalkaline Environments. J. Phys. Chem. C 2019, 123 (6), 3687–3695. https://doi.org/10.1021/acs.jpcc.8b12076.

Du, T.; Li, H.; Zhou, Q.; Wang, Z.; Sant, G.; Ryan, J. V.; Bauchy, M. Atomistic Origin of the Passivation Effect in Hydrated Silicate Glasses. npj Mat. Deg. 2019, 3 (1), 6. https://doi.org/10.1038/s41529-019-0070-9.

Oey, T.; Frederiksen, K. F.; Mascaraque, N.; Youngman, R.; Balonis, M.; Smedskjaer, M. M.; Bauchy, M.; Sant, G. The Role of the Network-Modifier’s Field-Strength in the Chemical Durability of Aluminoborate Glasses. J. Non-Cryst. Solids 2019, 505, 279–285. https://doi.org/10.1016/j.jnoncrysol.2018.11.019.

Young, B. A.; Hall, A.; Pilon, L.; Gupta, P.; Sant, G. Can the Compressive Strength of Concrete Be Estimated from Knowledge of the Mixture Proportions?: New Insights from Statistical Analysis and Machine Learning Methods. Cem. Concr. Res. 2019, 115, 379–388. https://doi.org/10.1016/j.cemconres.2018.09.006.

Liu, H.; Dong, S.; Tang, L.; Krishnan, N. M. A.; Sant, G.; Bauchy, M. Effects of Polydispersity and Disorder on the Mechanical Properties of Hydrated Silicate Gels. J. Mech. Phys. Solids 2019, 122, 555–565. https://doi.org/10.1016/j.jmps.2018.10.003.

Wei, Z.; Hsiao, Y.-H.; Chen, X.; La Plante, E. C.; Mehdipour, I.; Simonetti, D.; Neithalath, N.; Pilon, L.; Bauchy, M.; Israelachvili, J.; et al. Isothermal Stimulation of Mineral Dissolution Processes by Acoustic Perturbation. J. Phys. Chem. C 2018, 122 (50), 28665–28673. https://doi.org/10.1021/acs.jpcc.8b08343.

Krishnan, N. M. A.; Le Pape, Y.; Sant, G.; Bauchy, M. Effect of Irradiation on Silicate Aggregates’ Density and Stiffness. J. Nucl. Mater. 2018, 512, 126–136. https://doi.org/10.1016/j.jnucmat.2018.10.009.

Giron, R. G. P.; Chen, X.; La Plante, E. C.; Gussev, M. N.; Leonard, K. J.; Sant, G. Revealing How Alkali Cations Affect the Surface Reactivity of Stainless Steel in Alkaline Aqueous Environments. ACS Omega 2018, 3 (11), 14680–14688. https://doi.org/10.1021/acsomega.8b02227.

Timmons, J.; Falzone, G.; Balonis, M.; Bauchy, M.; Sant, G. Anomalous Variations in the Viscous Activation Energy of Suspensions Induced by Fractal Structuring. J. Colloid Interf. Sci. 2018, 530, 603–609. https://doi.org/10.1016/j.jcis.2018.07.008.

Das, S.; Aguayo, M.; Kabay, N.; Mobasher, B.; Sant, G.; Neithalath, N. Elucidating the Influences of Compliant Microscale Inclusions on the Fracture Behavior of Cementitious Composites. Cem. Concr. Comp. 2018, 94, 13–23. https://doi.org/10.1016/j.cemconcomp.2018.08.009.

Okoronkwo, M. U.; Balonis, M.; Juenger, M.; Bauchy, M.; Neithalath, N.; Sant, G. Stability of Calcium–Alumino Layered-Double-Hydroxide Nanocomposites in Aqueous Electrolytes. Ind. Eng. Chem. Res. 2018, 57 (40), 13417–13426. https://doi.org/10.1021/acs.iecr.8b02618.

Rakngan, W.; Williamson, T.; Ferron, R. D.; Sant, G.; Juenger, M. C. G. Controlling Workability in Alkali-Activated Class C Fly Ash. Constr. Build. Mater. 2018, 183, 226–233. https://doi.org/10.1016/j.conbuildmat.2018.06.174.

Dong, S.; Plante, E. C. L.; Chen, X.; Torabzadegan, M.; Balonis, M.; Bauchy, M.; Sant, G. Steel Corrosion Inhibition by Calcium Nitrate in Halide-Enriched Completion Fluid Environments. npj Mater. Deg. 2018, 2 (1), 32. https://doi.org/10.1038/s41529-018-0051-4.

Yang, K.; Kachmar, A.; Wang, B.; Krishnan, N. M. A.; Balonis, M.; Sant, G.; Bauchy, M. New Insights into the Atomic Structure of Amorphous TiO2 Using Tight-Binding Molecular Dynamics. J. Chem. Phys. 2018, 149 (9), 094501. https://doi.org/10.1063/1.5042783.

Hsiao, Y.-H.; La Plante, E. C.; Krishnan, N. M. A.; Dobbs, H. A.; Le Pape, Y.; Neithalath, N.; Bauchy, M.; Israelachvili, J.; Sant, G. Role of Electrochemical Surface Potential and Irradiation on Garnet-Type Almandine’s Dissolution Kinetics. J. Phys. Chem. C 2018, 122 (30), 17268–17277. https://doi.org/10.1021/acs.jpcc.8b04459.

Okoronkwo, M. U.; Balonis, M.; Katz, L.; Juenger, M.; Sant, G. A Thermodynamics-Based Approach for Examining the Suitability of Cementitious Formulations for Solidifying and Stabilizing Coal-Combustion Wastes. J. Environ. Manage. 2018, 217, 278–287. https://doi.org/10.1016/j.jenvman.2018.02.095.

Okoronkwo, M.U.; Falzone, G.; Wada, A.; Franke, W.; Neithalath, N.; Sant, G. Rheology-Based Protocol to Establish Admixture Compatibility in Dense Cementitious Suspensions. J. Mater. Civil Eng. 2018, 30 (7), 04018122. https://doi.org/10.1061/(ASCE)MT.1943-5533.0002277.

Du, T.; Li, H.; Sant, G.; Bauchy, M. New Insights into the Sol–Gel Condensation of Silica by Reactive Molecular Dynamics Simulations. J. Chem. Phys. 2018, 148 (23), 234504. https://doi.org/10.1063/1.5027583.

Guo, P.; Plante, E. C. L.; Wang, B.; Chen, X.; Balonis, M.; Bauchy, M.; Sant, G. Direct Observation of Pitting Corrosion Evolutions on Carbon Steel Surfaces at the Nano-to-Micro- Scales. Sci. Rep. 2018, 8 (1), 7990. https://doi.org/10.1038/s41598-018-26340-5.

Das, S.; Aguayo, M.; Rajan, S. D.; Sant, G.; Neithalath, N. Microstructure-Guided Numerical Simulations to Predict the Thermal Performance of a Hierarchical Cement-Based Composite Material. Cem. Concr. Comp. 2018, 87, 20–28. https://doi.org/10.1016/j.cemconcomp.2017.12.003.

Yu, Y.; Krishnan, N. M. A.; Smedskjaer, M. M.; Sant, G.; Bauchy, M. The Hydrophilic-to-Hydrophobic Transition in Glassy Silica Is Driven by the Atomic Topology of Its Surface. J. Chem. Phys. 2018, 148 (7), 074503. https://doi.org/10.1063/1.5010934.

Young, B. A.; Falzone, G.; Wei, Z.; Sant, G.; Pilon, L. Reduced-Scale Experiments to Evaluate Performance of Composite Building Envelopes Containing Phase Change Materials. Constr. Build. Mater. 2018, 162, 584–595. https://doi.org/10.1016/j.conbuildmat.2017.11.160.

Wei, Z.; Wang, B.; Falzone, G.; La Plante, E. C.; Okoronkwo, M. U.; She, Z.; Oey, T.; Balonis, M.; Neithalath, N.; Pilon, L.; et al. Clinkering-Free Cementation by Fly Ash Carbonation. J. CO2 Util. 2018, 23, 117–127. https://doi.org/10.1016/j.jcou.2017.11.005.

Williamson, T.; Han, J.; Katz, L.; Sant, G.; Juenger, M. Method for Experimentally Determining N-A-S-(H) Solubility. RILEM Tech. Lett. 2018, 3, 104–113. https://doi.org/10.21809/rilemtechlett.2018.63.

Oey, T.; Hsiao, Y.-H.; Callagon, E.; Wang, B.; Pignatelli, I.; Bauchy, M.; Sant, G. N. Rate Controls on Silicate Dissolution in Cementitious Environments. RILEM Tech. Lett. 2017, 2, 67–73. https://doi.org/10.21809/rilemtechlett.2017.35.

Wang, M.; Smedskjaer, M. M.; Mauro, J. C.; Sant, G.; Bauchy, M. Topological Origin of the Network Dilation Anomaly in Ion-Exchanged Glasses. Phys. Rev. Applied 2017, 8 (5), 054040. https://doi.org/10.1103/PhysRevApplied.8.054040.

Falzone, G.; Balonis, M.; Bentz, D.; Jones, S.; Sant, G. Anion Capture and Exchange by Functional Coatings: New Routes to Mitigate Steel Corrosion in Concrete Infrastructure. Cem. Concr. Res. 2017, 101, 82–92. https://doi.org/10.1016/j.cemconres.2017.08.021.

Krishnan, N. M. A.; Wang, B.; Le Pape, Y.; Sant, G.; Bauchy, M. Irradiation-Driven Amorphous-to-Glassy Transition in Quartz: The Crucial Role of the Medium-Range Order in Crystallization. Phys. Rev. Materials 2017, 1 (5), 053405. https://doi.org/10.1103/PhysRevMaterials.1.053405.

Hsiao, Y.-H.; La Plante, E. C.; Krishnan, N. M. A.; Le Pape, Y.; Neithalath, N.; Bauchy, M.; Sant, G. Effects of Irradiation on Albite’s Chemical Durability. J. Phys. Chem. A 2017, 121 (41), 7835–7845. https://doi.org/10.1021/acs.jpca.7b05098.

Wei, Z.; Falzone, G.; Das, S.; Saklani, N.; Le Pape, Y.; Pilon, L.; Neithalath, N.; Sant, G. Restrained Shrinkage Cracking of Cementitious Composites Containing Soft PCM Inclusions: A Paste (Matrix) Controlled Response. Mater. Design 2017, 132, 367–374. https://doi.org/10.1016/j.matdes.2017.06.066.

Krishnan, N. M. A.; Wang, B.; Sant, G.; Phillips, J. C.; Bauchy, M. Revealing the Effect of Irradiation on Cement Hydrates: Evidence of a Topological Self-Organization. ACS Appl. Mater. Interfaces 2017, 9 (37), 32377–32385. https://doi.org/10.1021/acsami.7b09405.

Yang, P.; Sant, G.; Neithalath, N. A Refined, Self-Consistent Poisson-Nernst-Planck (PNP) Model for Electrically Induced Transport of Multiple Ionic Species through Concrete. Cem. Concr. Comp. 2017, 82, 80–94. https://doi.org/10.1016/j.cemconcomp.2017.05.015.

Neithalath, N.; Sant, G. Advances in Characterization and Modeling of Cementitious Materials: Materials and Test Methods. Int. J. Adv. Eng. Sci. Appl. Math. 2017, 9 (3), 135–135. https://doi.org/10.1007/s12572-017-0195-4.

Yu, Y.; Wang, M.; Smedskjaer, M. M.; Mauro, J. C.; Sant, G.; Bauchy, M. Thermometer Effect: Origin of the Mixed Alkali Effect in Glass Relaxation. Phys. Rev. Lett. 2017, 119 (9), 095501. https://doi.org/10.1103/PhysRevLett.119.095501.

Young, B. A.; Falzone, G.; She, Z.; Thiele, A. M.; Wei, Z.; Neithalath, N.; Sant, G.; Pilon, L. Early-Age Temperature Evolutions in Concrete Pavements Containing Microencapsulated Phase Change Materials. Constr. Build. Mater. 2017, 147, 466–477. https://doi.org/10.1016/j.conbuildmat.2017.04.150.

Li, X.; Song, W.; Yang, K.; Krishnan, N. M. A.; Wang, B.; Smedskjaer, M. M.; Mauro, J. C.; Sant, G.; Balonis, M.; Bauchy, M. Cooling Rate Effects in Sodium Silicate Glasses: Bridging the Gap between Molecular Dynamics Simulations and Experiments. J. Chem. Phys. 2017, 147 (7), 074501. https://doi.org/10.1063/1.4998611.

Egan, G.; Kumar, A.; Neithalath, N.; Sant, G. Re-Examining the Influence of the Inclusion Characteristics on the Drying Shrinkage of Cementitious Composites. Constr. Build. Mater. 2017, 146, 713–722. https://doi.org/10.1016/j.conbuildmat.2017.04.048.

Wei, Z.; Falzone, G.; Wang, B.; Thiele, A.; Puerta-Falla, G.; Pilon, L.; Neithalath, N.; Sant, G. The Durability of Cementitious Composites Containing Microencapsulated Phase Change Materials. Cem. Concr. Comp. 2017, 81, 66–76. https://doi.org/10.1016/j.cemconcomp.2017.04.010.

Arora, A.; Sant, G.; Neithalath, N. Numerical Simulations to Quantify the Influence of Phase Change Materials (PCMs) on the Early- and Later-Age Thermal Response of Concrete Pavements. Cem. Concr. Comp. 2017, 81, 11–24. https://doi.org/10.1016/j.cemconcomp.2017.04.006.

Krishnan, N. M. A.; Wang, B.; Yu, Y.; Le Pape, Y.; Sant, G.; Bauchy, M. Enthalpy Landscape Dictates the Irradiation-Induced Disordering of Quartz. Phys. Rev. X 2017, 7 (3), 031019. https://doi.org/10.1103/PhysRevX.7.031019.

Young, B. A.; Wei, Z.; Rubalcava-Cruz, J.; Falzone, G.; Kumar, A.; Neithalath, N.; Sant, G.; Pilon, L. A General Method for Retrieving Thermal Deformation Properties of Microencapsulated Phase Change Materials or Other Particulate Inclusions in Cementitious Composites. Mater. Design 2017, 126, 259–267. https://doi.org/10.1016/j.matdes.2017.04.023.

Thiele, A. M.; Liggett, R. S.; Sant, G.; Pilon, L. Simple Thermal Evaluation of Building Envelopes Containing Phase Change Materials Using a Modified Admittance Method. Energ. Buildings 2017, 145, 238–250. https://doi.org/10.1016/j.enbuild.2017.03.046.

Neithalath, N.; Sant, G. Advances in Characterization and Modeling of Cementitious Materials: Transport and Volume Change in Cementitious Materials. Int. J. Adv. Eng. Sci. Appl. Math. 2017, 9 (2), 52–53. https://doi.org/10.1007/s12572-017-0192-7.

Krishnan, N. M. A.; Wang, B.; Le Pape, Y.; Sant, G.; Bauchy, M. Irradiation- vs. Vitrification-Induced Disordering: The Case of -Quartz and Glassy Silica. J. Chem. Phys. 2017, 146 (20), 204502. https://doi.org/10.1063/1.4982944.

Wang, B.; Krishnan, N. M. A.; Yu, Y.; Wang, M.; Le Pape, Y.; Sant, G.; Bauchy, M. Irradiation-Induced Topological Transition in SiO2: Structural Signature of Networks’ Rigidity. J. Non-Cryst. Solids 2017, 463, 25–30. https://doi.org/10.1016/j.jnoncrysol.2017.02.017.

Wang, M.; Wang, B.; Krishnan, N. M. A.; Yu, Y.; Smedskjaer, M. M.; Mauro, J. C.; Sant, G.; Bauchy, M. Ion Exchange Strengthening and Thermal Expansion of Glasses: Common Origin and Critical Role of Network Connectivity. J. Non-Cryst. Solids 2017, 455, 70–74. https://doi.org/10.1016/j.jnoncrysol.2016.10.027.

Ricklefs, A.; Thiele, A. M.; Falzone, G.; Sant, G.; Pilon, L. Thermal Conductivity of Cementitious Composites Containing Microencapsulated Phase Change Materials. Int. J. Heat Mass Tran. 2017, 104, 71–82. https://doi.org/10.1016/j.ijheatmasstransfer.2016.08.013.

Yu, Y.; Wang, B.; Wang, M.; Sant, G.; Bauchy, M. Reactive Molecular Dynamics Simulations of Sodium Silicate Glasses — Toward an Improved Understanding of the Structure. Int. J. Appl. Glass Sci. 2017, 8 (3), 276–284. https://doi.org/10.1111/ijag.12248.

Puerta-Falla, G.; Balonis, M.; Falzone, G.; Bauchy, M.; Neithalath, N.; Sant, G. Monovalent Ion Exchange Kinetics of Hydrated Calcium-Alumino Layered Double Hydroxides. Ind. Eng. Chem. Res. 2017, 56 (1), 63–74. https://doi.org/10.1021/acs.iecr.6b03474.

Oey, T.; Timmons, J.; Stutzman, P.; Bullard, J. W.; Balonis, M.; Bauchy, M.; Sant, G. An Improved Basis for Characterizing the Suitability of Fly Ash as a Cement Replacement Agent. J. Am. Ceram. Soc. 2017, 100 (10), 4785–4800. https://doi.org/10.1111/jace.14974.

Oey, T.; Kumar, A.; Pignatelli, I.; Yu, Y.; Neithalath, N.; Bullard, J. W.; Bauchy, M.; Sant, G. Topological Controls on the Dissolution Kinetics of Glassy Aluminosilicates. J. Am. Ceram. Soc. 2017, 100 (12), 5521–5527. https://doi.org/10.1111/jace.15122.

Liu, Z.; Balonis, M.; Huang, J.; Sha, A.; Sant, G. The Influence of Composition and Temperature on Hydrated Phase Assemblages in Magnesium Oxychloride Cements. J. Am. Ceram. Soc. 2017, 100 (7), 3246–3261. https://doi.org/10.1111/jace.14817.

Kumar, A.; Oey, T.; Falzone, G.; Huang, J.; Bauchy, M.; Balonis, M.; Neithalath, N.; Bullard, J.; Sant, G. The Filler Effect: The Influence of Filler Content and Type on the Hydration Rate of Tricalcium Silicate. Journal of the American Ceramic Society 2017, 100 (7), 3316–3328. https://doi.org/10.1111/jace.14859.

Gomez‐Zamorano, L.; Balonis, M.; Erdemli, B.; Neithalath, N.; Sant, G. C–(N)–S–H and N–A–S–H Gels: Compositions and Solubility Data at 25°C and 50°C. J. Am. Ceram. Soc. 2017, 100 (6), 2700–2711. https://doi.org/10.1111/jace.14715.

Krishnan, N. M. A.; Wang, B.; Falzone, G.; Le Pape, Y.; Neithalath, N.; Pilon, L.; Bauchy, M.; Sant, G. Confined Water in Layered Silicates: The Origin of Anomalous Thermal Expansion Behavior in Calcium-Silicate-Hydrates. ACS Appl. Mater. Inter. 2016, 8 (51), 35621–35627. https://doi.org/10.1021/acsami.6b11587.

Pignatelli, I.; Kumar, A.; Shah, K.; Balonis, M.; Bauchy, M.; Wu, B.; Sant, G. Vertical Scanning Interferometry: A New Method to Quantify Re-/de-Mineralization Dynamics of Dental Enamel. Dent. Mater. 2016, 32 (10), e251–e261. https://doi.org/10.1016/j.dental.2016.07.004.

Aguayo, M.; Das, S.; Maroli, A.; Kabay, N.; Mertens, J. C. E.; Rajan, S. D.; Sant, G.; Chawla, N.; Neithalath, N. The Influence of Microencapsulated Phase Change Material (PCM) Characteristics on the Microstructure and Strength of Cementitious Composites: Experiments and Finite Element Simulations. Cem. Concr. Comp. 2016, 73, 29–41. https://doi.org/10.1016/j.cemconcomp.2016.06.018.

Arora, A.; Vance, K.; Sant, G.; Neithalath, N. A Methodology to Extract the Component Size Distributions in Interground Composite (Limestone) Cements. Constr. Build. Mater. 2016, 121, 328–337. https://doi.org/10.1016/j.conbuildmat.2016.06.006.

Pignatelli, I.; Kumar, A.; Alizadeh, R.; Le Pape, Y.; Bauchy, M.; Sant, G. A Dissolution-Precipitation Mechanism Is at the Origin of Concrete Creep in Moist Environments. J. Chem. Phys. 2016, 145 (5), 054701. https://doi.org/10.1063/1.4955429.

Falzone, G.; Falla, G. P.; Wei, Z.; Zhao, M.; Kumar, A.; Bauchy, M.; Neithalath, N.; Pilon, L.; Sant, G. The Influences of Soft and Stiff Inclusions on the Mechanical Properties of Cementitious Composites. Cem. Concr. Comp. 2016, 71, 153–165. https://doi.org/10.1016/j.cemconcomp.2016.05.008.

Yu, Y.; Wang, B.; Wang, M.; Sant, G.; Bauchy, M. Revisiting Silica with ReaxFF: Towards Improved Predictions of Glass Structure and Properties via Reactive Molecular Dynamics. J. Non-Cryst. Solids 2016, 443, 148–154. https://doi.org/10.1016/j.jnoncrysol.2016.03.026.

Puerta-Falla, G.; Balonis, M.; Le Saout, G.; Kumar, A.; Rivera, M.; Falzone, G.; Neithalath, N.; Sant, G. The Influence of Slightly and Highly Soluble Carbonate Salts on Phase Relations in Hydrated Calcium Aluminate Cements. J. Mater. Sci. 2016, 51 (12), 6062–6074. https://doi.org/10.1007/s10853-016-9912-9.

Guo, P.; Wang, B.; Bauchy, M.; Sant, G. Misfit Stresses Caused by Atomic Size Mismatch: The Origin of Doping-Induced Destabilization of Dicalcium Silicate. Cryst. Growth Des. 2016, 16 (6), 3124–3132. https://doi.org/10.1021/acs.cgd.5b01740.

Pignatelli, I.; Kumar, A.; Bauchy, M.; Sant, G. Topological Control on Silicates’ Dissolution Kinetics. Langmuir 2016, 32 (18), 4434–4439. https://doi.org/10.1021/acs.langmuir.6b00359.

Pignatelli, I.; Kumar, A.; Field, K. G.; Wang, B.; Yu, Y.; Le Pape, Y.; Bauchy, M.; Sant, G. Direct Experimental Evidence for Differing Reactivity Alterations of Minerals Following Irradiation: The Case of Calcite and Quartz. Sci. Rep. 2016, 6, 20155. https://doi.org/10.1038/srep20155.

Arora, A.; Sant, G.; Neithalath, N. Ternary Blends Containing Slag and Interground/Blended Limestone: Hydration, Strength, and Pore Structure. Constr. Build. Mater. 2016, 102, 113–124. https://doi.org/10.1016/j.conbuildmat.2015.10.179.

Young, B. A.; Fujii, A. M. K.; Thiele, A. M.; Kumar, A.; Sant, G.; Taciroglu, E.; Pilon, L. Effective Elastic Moduli of Core-Shell-Matrix Composites. Mech. Mater. 2016, 92, 94–106. https://doi.org/10.1016/j.mechmat.2015.09.006.

Thiele, A. M.; Wei, Z.; Falzone, G.; Young, B. A.; Neithalath, N.; Sant, G.; Pilon, L. Figure of Merit for the Thermal Performance of Cementitious Composites Containing Phase Change Materials. Cem. Concr. Comp. 2016, 65, 214–226. https://doi.org/10.1016/j.cemconcomp.2015.10.023.

Oey, T.; Kumar, A.; Falzone, G.; Huang, J.; Kennison, S.; Bauchy, M.; Neithalath, N.; Bullard, J. W.; Sant, G. The Influence of Water Activity on the Hydration Rate of Tricalcium Silicate. J. Am. Ceram. Soc. 2016, 99 (7), 2481–2492. https://doi.org/10.1111/jace.14181.

Huang, J.; Wang, B.; Yu, Y.; Valenzano, L.; Bauchy, M.; Sant, G. Electronic Origin of Doping-Induced Enhancements of Reactivity: Case Study of Tricalcium Silicate. J. Phys. Chem. C 2015, 119 (46), 25991–25999. https://doi.org/10.1021/acs.jpcc.5b08286.

Yu, Y.; Wang, M.; Zhang, D.; Wang, B.; Sant, G.; Bauchy, M. Stretched Exponential Relaxation of Glasses at Low Temperature. Phys. Rev. Lett. 2015, 115 (16), 165901. https://doi.org/10.1103/PhysRevLett.115.165901.

Oey, T.; Stoian, J.; Li, J.; Vong, C.; Balonis, M.; Kumar, A.; Franke, W.; Sant, G. Comparison of Ca(NO3)2 and CaCl2 Admixtures on Reaction, Setting, and Strength Evolutions in Plain and Blended Cementing Formulations. J. Mater. Civ. Eng. 2015, 27 (10), 04014267. https://doi.org/10.1061/(ASCE)MT.1943-5533.0001240.

Puerta-Falla, G.; Kumar, A.; Gomez-Zamorano, L.; Bauchy, M.; Neithalath, N.; Sant, G. The Influence of Filler Type and Surface Area on the Hydration Rates of Calcium Aluminate Cement. Constr. Build. Mater. 2015, 96, 657–665. https://doi.org/10.1016/j.conbuildmat.2015.08.094.

Thiele, A. M.; Jamet, A.; Sant, G.; Pilon, L. Annual Energy Analysis of Concrete Containing Phase Change Materials for Building Envelopes. Energ. Convers. Manage. 2015, 103, 374–386. https://doi.org/10.1016/j.enconman.2015.06.068.

Jennings, H. M.; Kumar, A.; Sant, G. Quantitative Discrimination of the Nano-Pore-Structure of Cement Paste during Drying: New Insights from Water Sorption Isotherms. Cem. Concr. Res. 2015, 76, 27–36. https://doi.org/10.1016/j.cemconres.2015.05.006.

Vance, K.; Falzone, G.; Pignatelli, I.; Bauchy, M.; Balonis, M.; Sant, G. Direct Carbonation of Ca(OH)2 Using Liquid and Supercritical CO2: Implications for Carbon-Neutral Cementation. Ind. Eng. Chem. Res. 2015, 54 (36), 8908–8918. https://doi.org/10.1021/acs.iecr.5b02356.

Huang, J.; Valenzano, L.; Sant, G. Framework and Channel Modifications in Mayenite (12CaO·7Al2O3) Nanocages By Cationic Doping. Chem. Mater. 2015, 27 (13), 4731–4741. https://doi.org/10.1021/acs.chemmater.5b01360.

Wang, B.; Yu, Y.; Pignatelli, I.; Sant, G.; Bauchy, M. Nature of Radiation-Induced Defects in Quartz. J. Chem. Phys. 2015, 143 (2), 024505. https://doi.org/10.1063/1.4926527.

Das, S.; Aguayo, M.; Sant, G.; Mobasher, B.; Neithalath, N. Fracture Process Zone and Tensile Behavior of Blended Binders Containing Limestone Powder. Cem. Concr. Res. 2015, 73, 51–62. https://doi.org/10.1016/j.cemconres.2015.03.002.

Falzone, G.; Balonis, M.; Sant, G. X-AFm Stabilization as a Mechanism of Bypassing Conversion Phenomena in Calcium Aluminate Cements. Cem. Concr. Res. 2015, 72, 54–68. https://doi.org/10.1016/j.cemconres.2015.02.022.

Vance, K.; Sant, G.; Neithalath, N. The Rheology of Cementitious Suspensions: A Closer Look at Experimental Parameters and Property Determination Using Common Rheological Models. Cem. Concr. Comp. 2015, 59, 38–48. https://doi.org/10.1016/j.cemconcomp.2015.03.001.

Stoian, J.; Oey, T.; Bullard, J. W.; Huang, J.; Kumar, A.; Balonis, M.; Terrill, J.; Neithalath, N.; Sant, G. New Insights into the Prehydration of Cement and Its Mitigation. Cem. Concr. Res. 2015, 70, 94–103. https://doi.org/10.1016/j.cemconres.2015.01.012.

Vance, K.; Arora, A.; Sant, G.; Neithalath, N. Rheological Evaluations of Interground and Blended Cement–Limestone Suspensions. Constr. Build. Mater. 2015, 79, 65–72. https://doi.org/10.1016/j.conbuildmat.2014.12.054.

Thiele, A. M.; Sant, G.; Pilon, L. Diurnal Thermal Analysis of Microencapsulated PCM-Concrete Composite Walls. Energ. Convers. Manage. 2015, 93, 215–227. https://doi.org/10.1016/j.enconman.2014.12.078.

Puerta‐Falla, G.; Balonis, M.; Saout, G. L.; Falzone, G.; Zhang, C.; Neithalath, N.; Sant, G. Elucidating the Role of the Aluminous Source on Limestone Reactivity in Cementitious Materials. J. Am. Ceram. Soc. 2015, 98 (12), 4076–4089. https://doi.org/10.1111/jace.13806.

Kumar, A.; Lewis, P.; Balonis, M.; Di Carlo, D.; Sant, G. On the Application of Inertial Microfluidics for the Size-Based Separation of Polydisperse Cementitious Particulates. Front. Mater. 2015, 2. https://doi.org/10.3389/fmats.2015.00048.

Aguayo, M.; Yang, P.; Vance, K.; Sant, G.; Neithalath, N. Electrically Driven Chloride Ion Transport in Blended Binder Concretes: Insights from Experiments and Numerical Simulations. Cem. Concr. Res. 2014, 66, 1–10. https://doi.org/10.1016/j.cemconres.2014.07.022.

Vance, K.; Dakhane, A.; Sant, G.; Neithalath, N. Observations on the Rheological Response of Alkali Activated Fly Ash Suspensions: The Role of Activator Type and Concentration. Rheol. Acta 2014, 53 (10), 843–855. https://doi.org/10.1007/s00397-014-0793-z.

Das, S.; Aguayo, M.; Dey, V.; Kachala, R.; Mobasher, B.; Sant, G.; Neithalath, N. The Fracture Response of Blended Formulations Containing Limestone Powder: Evaluations Using Two-Parameter Fracture Model and Digital Image Correlation. Cem. Concr. Comp. 2014, 53, 316–326. https://doi.org/10.1016/j.cemconcomp.2014.07.018.

Fernandes, F.; Manari, S.; Aguayo, M.; Santos, K.; Oey, T.; Wei, Z.; Falzone, G.; Neithalath, N.; Sant, G. On the Feasibility of Using Phase Change Materials (PCMs) to Mitigate Thermal Cracking in Cementitious Materials. Cem. Concr. Comp. 2014, 51, 14–26. https://doi.org/10.1016/j.cemconcomp.2014.03.003.

Thiele, A. M.; Kumar, A.; Sant, G.; Pilon, L. Effective Thermal Conductivity of Three-Component Composites Containing Spherical Capsules. Int. J. Heat Mass Tran. 2014, 73, 177–185. https://doi.org/10.1016/j.ijheatmasstransfer.2014.02.002.

Huang, J.; Valenzano, L.; Singh, T. V.; Pandey, R.; Sant, G. Influence of (Al, Fe, Mg) Impurities on Triclinic Ca3SiO5: Interpretations from DFT Calculations. Cryst. Growth Des. 2014, 14 (5), 2158–2171. https://doi.org/10.1021/cg401647f.

Kumar, A.; Ketel, S.; Vance, K.; Oey, T.; Neithalath, N.; Sant, G. Water Vapor Sorption in Cementitious Materials—Measurement, Modeling and Interpretation. Transp. Porous Med. 2014, 103 (1), 69–98. https://doi.org/10.1007/s11242-014-0288-5.

Vance, K.; Kumar, A.; Sant, G.; Neithalath, N. The Rheological Properties of Ternary Binders Containing Portland Cement, Limestone, and Metakaolin or Fly Ash. Cem. Concr. Res. 2013, 52, 196–207. https://doi.org/10.1016/j.cemconres.2013.07.007.

Kumar, A.; Oey, T.; Kim, S.; Thomas, D.; Badran, S.; Li, J.; Fernandes, F.; Neithalath, N.; Sant, G. Simple Methods to Estimate the Influence of Limestone Fillers on Reaction and Property Evolution in Cementitious Materials. Cem. Concr. Comp. 2013, 42, 20–29. https://doi.org/10.1016/j.cemconcomp.2013.05.002.

Kumar, A.; Oey, T.; Falla, G. P.; Henkensiefken, R.; Neithalath, N.; Sant, G. A Comparison of Intergrinding and Blending Limestone on Reaction and Strength Evolution in Cementitious Materials. Constr. Build. Mater. 2013, 43, 428–435. https://doi.org/10.1016/j.conbuildmat.2013.02.032.

Vance, K.; Aguayo, M.; Oey, T.; Sant, G.; Neithalath, N. Hydration and Strength Development in Ternary Portland Cement Blends Containing Limestone and Fly Ash or Metakaolin. Cem. Concr. Comp. 2013, 39, 93–103. https://doi.org/10.1016/j.cemconcomp.2013.03.028.

Oey, T.; Kumar, A.; Bullard, J. W.; Neithalath, N.; Sant, G. The Filler Effect: The Influence of Filler Content and Surface Area on Cementitious Reaction Rates. J. Am. Ceram. Soc. 2013, 96 (6), 1978–1990. https://doi.org/10.1111/jace.12264.

Sant, G.; Kumar, A.; Patapy, C.; Le Saout, G.; Scrivener, K. The Influence of Sodium and Potassium Hydroxide on Volume Changes in Cementitious Materials. Cem. Concr. Res. 2012, 42 (11), 1447–1455. https://doi.org/10.1016/j.cemconres.2012.08.012.

Kumar, A.; Sant, G.; Patapy, C.; Gianocca, C.; Scrivener, K. L. The Influence of Sodium and Potassium Hydroxide on Alite Hydration: Experiments and Simulations. Cem. Concr. Res. 2012, 42 (11), 1513–1523. https://doi.org/10.1016/j.cemconres.2012.07.003.

Abou Najm, M.; Jesiek, J.; Mohtar, R. H.; Lura, P.; Sant, G. Assessing the Role of the Pore Solution Concentration on Horizontal Deformations in an Unsaturated Soil Specimen during Drying. Geoderma 2012, 187–188, 31–40. https://doi.org/10.1016/j.geoderma.2012.04.009.

Sant, G. The Influence of Temperature on Autogenous Volume Changes in Cementitious Materials Containing Shrinkage Reducing Admixtures. Cem. Concr. Comp. 2012, 34 (7), 855–865. https://doi.org/10.1016/j.cemconcomp.2012.04.003.