Publication List PEER-REVIEWED JOURNAL PUBLICATIONS

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1 Publication List PEER-REVIEWED JOURNAL PUBLICATIONS Shahsavari R., Pellenq R., Ulm F.-J.*, (2011), Empirical force fields for complex caclio-silicate layered materials, Physical Chemistry Chemical Physics, 13, Sakhavand N. Muthuramalingam P, Shahsavari R.*, (2013) Toughness Governs the Rupture of Interfacial H-bond Assemblies at a Critical Length Scale in Hybrid Materials, Langmuir, 29 (25), Muthuramalingam P., Sakhavand N., Shahsavari R.*, (2013), H 2, N 2, and CH 4 gas adsorption in zeolitic imidazolate framework-95 and-100: ab initio based grand canonical monte carlo simulations, Journal of Physical Chemistry C, 117 (46), A. Rafiee, T. N. Narayanan, D. P. Hashim, N. Sakhavand, R. Shahsavari, R. Vajtai, P. M. Ajayan, (2013), Hexagonal Boron Nitride and Graphite Oxide Reinforced Multifunctional Porous Cement Composites, Advanced Functional Materials, 23, Qomi MJ, Krakowiak K, Bauchy M, Stewart K, Shahsavari R., Jagannathan D, Brommera D, Baronnet A, Buehler M, Van Vliet K, Yip S, Ulm FJ, Pellenq R, (2014), Combinatorial molecular optimization of cement hydrates, Nature Communications, 5:4960. Sakhavand N., Shahsavari R.*, (2014), Synergistic behavior of tubes, junctions, and sheets imparts mechano-mutable functionality in 3D porous boron nitride nanostructures, Journal of Physical Chemistry C, 18 (39), Shahsavari R.*, Chen L., (2014) Screw dislocations in Complex, Low Symmetry Oxides: Core Structures, Energetics and Impact on Crystal Growth, ACS Applied Materials and Interfaces, 7 (4), (13 pages). Jalilvand S., Shahsavari R.*, (2014), Molecular Mechanistic Origin of Nanoscale Contact, Friction and Scratch in Complex Particulate Systems, ACS Applied Materials and Interfaces, 7 (5), Sakhavand N, Shahsavari R.*, (2015), Universal composition structure property maps for natural and biomimetic platelet matrix composites and stacked heterostructures, Nature Communications, 6: Shahsavari R.*, Sakhavand N., (2015), Junction Configuration-Induced Mechanisms Govern Elastic and Inelastic Deformations in Hybrid Carbon Nanomaterials, Carbon, 95, Sakhavand N., Shahsavari R.*, (2015), Dimensional Crossover of Thermal Transport in Hybrid Boron Nitride Nanostructures, ACS Applied Materials and Interfaces, 8, Rouzbeh Daniel Cohan Shahsavari 1 P a g e

2 Tian Y., Zhang N., Xia H.*, Shahsavari R., (2016) Accurate Dynamic Response Analysis of Orthopedic Steel Decks Using a Novel Multiscale Time-Varying Boundary Approximation Method, International Journal of Structural Stability and Dynamics, 17 (4), Hosseinzadeh F., Shirazian F., Shahsavari R, Khoei A.R.*, (2016), Local Density Variation of Gold Nanoparticles in Aquatic Environments, Physica E, 84, Shahsavari R.*, Chen L., Tao L., (2016), Edge dislocations in dicalcium silicates: Experimental observations and atomistic analysis, Cement and Concrete Research, 90, Shahsavari R.*, Lei T., Chen L., (2016), Structure, Energetics and Impact of Screw Dislocations in Tric alcium Silicates, Journal of America Ceramics Society, 18, 1-9. Kim N., Metzger A., Hejazi V., Li Y., Kovalchuk A., Lee S.K., Ye R., Mann J., Kittrell C., Shahsavari R.*, Tour J.M.*, (2016) Microwave Heating of Functionalized Graphene Nanoribbons in Thermoset Polymers for Wellbore Reinforcement, ACS Applied Materials and Interfaces, 8, N. Zhang, Shahsavari, R*. (2016), Balancing strength and toughness of calcium-silicatehydrate via random nanovoids and particle inclusions: Atomistic modeling and statistical analysis, Journal of Mechanics and Physics of Solids, 96, Shayeganfar F., Shahsavari R.*, (2016), Electronic and pseudomagnetic properties of hybrid carbon/boron-nitride nanomaterials via ab-initio calculations and elasticity theory, Carbon, 95, Shayeganfar F., Shahsavari R.*, (2016), Oxygen and Lithium doped Hybrid Boron- Nitride/Carbon Networks for Hydrogen Storage, Langmuir, Taha-Tijerina, Sakhavand N., J, Raji K., Ajayan P.M., Shahsavari R.*, (2017), Theoretical Prediction of Physical Properties (Viscosity) on 2D-based Nanofluids, Ingeniería. Investigación y Tecnología, 1, R. Shahsavari, * Hwang Sung (2017), Concrete strategies towards eco-friendly cementitious materials, American Ceramics Society Bulletin, Accepted. R. Mishra, A. Mohamed, D. Geissbühler, H. Manzano, T. Jamil, R. Shahsavari, * A. Kalinichev, S. Galmarini, L.Tao, H. Heinz, R. Pellenq, A. van Duin, S. Parker, R. Flatt, P. Bowen (2017), CEMFF: A force field database for cementitious materials including validations, applications and opportunities, Cement and Concrete Research, In Press. Shayeganfar F., Shahsavari R.* (2017) Electro- and Opto-Mutable Properties of MgO Nanoclusters Adsorbed on Mono- and Double-layer Graphene, Nanoscale, 9, P a g e

3 4218. Tao L., Sreeparasad S.T., Shahsavari R.* (2017), Interlaced, Nanostructured Interface with Graphene Buffer Layer Reduces Thermal Boundary Resistance in Nano/Microelectronic Systems, ACS Applied Materials and Interfaces, 9, J. Biernacki, J Bullard, G. Sant, N. Banthia, K. Brown, F. Glasser, S. Jones, T. Ley, R. Livingston, L. Nicoleau, J. Olek, F. Sanchez, R. Shahsavari, P. Stutzman, K. Sobolev, T. Prater, (2017), Cements in the 21 st Century: Challenges, Perspectives and Opportunities, Journal of the American Ceramics Society, Zhang N., Carrazone P., Shahsavari R.*, (2017) Screw-Dislocation-Induced Strengthening Toughening Mechanisms in Complex Layered Materials: The Case Study of Tobermorite, ACS Applied Materials and Interfaces, 9, Tao L., Shahsavari R.*, (2017), Diffusive, Displacive Deformations and Local Phase Transformation Govern the Mechanics of Layered Crystals: The Case Study of Tobermorite, Scientific Reports, Nature Publishing Group 7, Moghaddam S., Hejazi V., Sung Hwang, Sreepasad, S.T., Miller J., Shi B., Shuo S., Rusakova I., Alizadeh R.A., Whitmire K., Shahsavari R.*, (2017), Morphogenesis of cement hydrate, Journal of Materials Chemistry A, 5, Hwang S, Miller J., Shahsavari R.* (2017), Biomimetic, strong, tough, and self-healing materials using universal sealant-loaded, porous building blocks, ACS Applied Materials and Interfaces, In-Press, doi: /acsami.7b Shahsavari R.* (2017), Intercalated hexagonal boron nitride/silicates as bi-layer multifunctional ceramics, ACS Applied Materials and Interfaces, In Review. Shahsavari R.*, Zhao S., (2017), Merger of energetic affinity and optimal geometry provides a new class of sorbent for hydrogen storage, Small, In Revision. Sreepasad S.T, Zhan Q, Farzanian S., Shahsavari R.* (2017), Self-sensing hierarchical hybrid composites with an unprecedented balance of strength, toughness, and thermal and electrical conductivities, Materials Today, In Review. Shayeganfar F., Shahsavari R, Beheshtian J., (2017) Peculiar water nanotubes captured inside carbon/boron nitride nanotubes from first principles, Nanoscale, In Review. 3 P a g e

4 Hwang S, Shahsavari R.*, (2017), Intrinsic and pseudo size-effect in scaffolded porous nanoparticles and their self-assembled ensembles, Small, In Review Sakhavand N., Shahsavari R.* (2017), Hydrogen bond regulated synergy of structure and materials in platelet-matrix composites, Journal of Royal Society Interface, In Review. Hwang S, Shahsavari R.*, (2017), Low cost, environmentally benign, and CO2 free binder as a replacement for cement, ACS Sustainable Chemistry and Engineering, In Review. Tao L., Shahsavari R.*, (2017), Collateral atoms govern strength degradation in radiationtemperature shock maps of 2D materials, Nature Communications, In Submission. Sakhavand N., Shahsavari R.* (2017), Asymmetric junctions boost in-plane thermal transport in pillared graphene, ACS Applied Materials and Interfaces, Accepted. Zhao S., Shahsavari R.*, (2017), Hybrid force- and energy matching for potential parameterization in physisorption, Langmuir, In review. Shayeganfar F., Shahsavari R.* (2017) Accelerated discovery of hybrid organicinorganic composites using machines learning and first principles calculations, Nature Materials, In Submission. Hejazi V., Shahsavari R.* (2017), Size- and shape-controlled synthesis of cement hydrate impart self-assembly and superior mechanical and durability properties, ACS Applied Materials and Interfaces, In Review. Farzanian S., Shahsavari R.*, (2017), Mapping the role of structure and materials in platelet-matrix composites Journal of Mechanics and Physics of Solids, Accepted. * Corresponding author **Candidate s student or post-doc is the co-author PATENTS Shahsavari R., Pellenq J.M.-R., Stewart K., van Vliet K., Yip S., Ulm F.-J., (2013), Cement hydrate compositions and methods of synthesis, Pending US Patent No. 61/ (38 pages). Shahsavari R., Pourmoghaddam S.E., Whitemire K., Shape-controlled Synthesis of 4 P a g e

5 Calcium-Silicate- Hydrates and Self-Assembly (2016), PCT/US15/ Shahsavari R, Hierarchical Fiber Composites and Method of Synthesis (2017), Invention disclosure ID Shahsavari R, Hierarchical Platelet-matrix Composites and Method of Synthesis (2017), Invention disclosure ID BOOK CHAPTER(S) Shahsavari R, Sakhavand N, "Hybrid Cementitious Materials: Nanoscale Modeling and Characterizations," Innovative Developments of Advanced Multifunctional Nanocomposites in Civil And Structural Engineering (Eds. K.J. Loh and S. Nagarajaiah), Woodhead Publishing: Cambridge, England (2015). THESIS Shahsavari R., Hierarchical Investigation of Structure and Mechanics of Calcium- Silicate-Hydrates, Ph.D Thesis, Cambridge, MIT, Cambridge, MA, CONFERENCE PAPEPRS (excluding conference abstracts and proceedings) Shahsavari R., Pellenq R., Ulm F.-J., (2010) From atoms to microtexture of calcium-silicate hydrate, The Proceedings of the Materials Research Society, Boston, MA, Nov 29-Dec 3 (3 pages). Shahsavari R., Pellenq R., Ulm F.-J., (2010) Hierarchical structure of cement hydrates: From atoms to microstructure, Engineering Mechanics Institute, Los Angeles, CA (5 pages). Shahsavari R., Pellenq R., Ulm F.-J., (2011) From atoms to microtexture of cement hydrate, XIII International Conference on Chemistry of Cement, Madrid, Spain (7 pages). Shahsavari R., Pellenq R., Ulm F.-J., (2012) A bottom-up hierarchical modeling of cement hydrate: from electrons to microtexture of C-S-H, International Conference on Multiscale investigation of cementitious materials, Poland (6 pages). 5 P a g e

FINITE ELEMENT APPROACH TO SIMULATE CNT-REINFORCED CALCIUM-SILICATE-HYDRATE (C-S-H) COMPOSITE

FINITE ELEMENT APPROACH TO SIMULATE CNT-REINFORCED CALCIUM-SILICATE-HYDRATE (C-S-H) COMPOSITE Proceedings of the 7th International Conference on Mechanics and Materials in Design Albufeira/Portugal 11-15 June 2017. Editors J.F. Silva Gomes and S.A. Meguid. Publ. INEGI/FEUP (2017) PAPER REF: 6782