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 Multiscale Materials Laboratory 

 
 

 

Highlights of Publications

  1. Sakhavand N, Shahsavari R, (2015), Universal Composition-Structure-Property Map for Natural and Biomimetic Platelet-matrix Composites and Stacked HeterostructuresNature Communications, 6:6523.
              (Commentaries and Press Reports: Science Daily, National Science Foundation, Nanowerk, Phys.Org., Science News, American Ceramics Society, Science Centric, Science Codex, Extremetech, etc)     

  2. Abdolhosseini 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 hydratesNature Communications, 5:4960.
              (Commentaries and Press Reports: Science Daily, Phys Org, Scientific American, Nanowerk, Physics News, Next Big Future, Science Codex, R&D Magazine, etc.)

  3. Pellenq R., Kushima A., Shahsavari R., Van Vliet K., Buehler M., Yip S., Ulm F.-J., (2009), A realistic molecular model of cement hydratesProceedings of National Academy of Sciences of US, 09021180106, 1-6. 
             (Commentaries and Press Reports: ScienceNews, ScienceDaily, Innovation Report, Nanowerk, ScienceCodex, Next Big Future, Science Centric, R&D Magazine, Nanotechnology Now, Chemistry Times, Physics News, Discovery Online, encyclopedia.com, etc.). 

  4. M. 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 CompositesAdvanced Functional Materials, 23, 5624-5630.

  5. Shahsavari R., Zhao S. (2018), Merger of Energetic Affinity and Optimal Geometry Provides a New Class of Sorbents with Unprecedented Hydrogen Storage CapacitySmall, 1702863-1702873.
             (Commentaries and Press Reports: ScienceDaily, Nanowerk, Phys. Org, R&D Magazine, eurakalert, Science news online, Rice news, etc.).

Full List of Publications

  

  1. Shahsavari R. (2018), Intercalated hexagonal boron nitride/silicate as bilayer multifunctional ceramicsACS Applied Materials and Interfaces, 10, 2203-2209. 

  2. Shahsavari R., Zhao S. (2018), Merger of Energetic Affinity and Optimal Geometry Provides a New Class of Sorbents with Unprecedented Hydrogen Storage CapacitySmall, 1702863-1702873.

  3. Hwang S., Shahsavari R. (2018) Intrinsic size-effect in scaffolded porous calcium-silicate particles and mechanical behavior of their self-assembled ensembles, ACS Applied Materials and Interfaces, 10, 890-899.

  4. Sakhavand N., Shahsavari R., (2018) Insights on synergy of  materials and structures in biommimetic platelet-matrix compositesApplied Physics Letters, 112, 051601.

  5. Shayeganfar F., Beheshtian J., Shahsavari R, (2018) First principles study of water nanotubes in carbon/boron nitride nanotubesLangmuir, In Press. 


  6. Hwang S, Shahsavari R (2018) High calcium flyash binder with low environmental footprintJournal of the American Ceramics Society, In-Press.


  7. Shahsavari R. et al (2018) Size and shape controlled synthesis of cement hydrate to impart superior mechanical properties, Langmuir, In-Press. 

  8. Hwang S., Miller J., Shahsavari R. (2017) Biomimetic, Strong, Tough, and Self-Healing Composites Using Universal Sealant-Loaded, Porous Building BlocksACS Applied Materials and Interfaces, 9, 37055-37063.

  9. Farzanian M, Shahsavari R. (2017) Mapping the coupled role of materials and structures in mechanics of platelet-matrix compositesJournal of Mechanics and Physics of Solids, 112, 169-186.

  10. Journal Cover Article. Moghaddam H.E., Hejazi V., Hwang S., Sreeparasad ST., Miller J., Shi B., Zhou S., Rusakova I., Alizadeh A., Whitmire K., Shahsavari R., (2017), Morphogenesis of Cement HydrateJournal of Materials Chemistry A, 5, 3798-3811. 

  11. Tao L., Shahsavari R, (2017), Diffusive, Displasive, and Strain Gradient Based Deformation Mechanisms Govern the Mechanics of Layered CrystalsNature Scientific Reports, 7, 5907. 

  12. Kishro MR., et al., (2017) CEMFF: A force field database for cementitious materials: validations, applications and opportunitiesCement and Concrete Research, 102, 68-89.

  13. Zhang N., Shahsavari R. (2017), Screw Dislocation-Induced Strenghening-Toughening Mechanisms in Complex, Layered MaterialsACS Applied Materials and Interfaces, 9, 1496-1506.

  14.  Journal Cover Article and Feature Article. Biernacki J., et al., (2017), Cements in the 21st Century: Challenges, Perspectives and OpportunitiesJournal of American Ceramics Society, 1-28. 

  15. Journal Cover Article. Tao L., Sreeparasad S.T., Shahsavari R. (2017), Interlaced, Nanostructured Interface With Graphene Buffer Layer Reduces Thermal Boundary Resistance in Nano/Microelectronic SystemsACS Applied Materials and Interfaces, 9, 989-998.

  16. Shayeganfar F., Beheshtian J., Neek-Amal M., Shahsavari R. (2017) Electro- and Opto-Mutuble Properties of MgO Clusters Adsorbed on Mono- and Double-Layer GrapheneNanoscale, 9, 4205-4218.

  17. Shahsavari R., Hwang S. (2017) Innovative concretes provide the ultimate solution to the rising construction costs and environmental footprintsAmerican Ceramics Society Bulletin, 97 (1), 24-30.

  18. Sakhavand N., Shahsavari R. (2017) Asymmetric Junctions Boost In-Plane Thermal Transport in Pillared GrapheneACS Applied Materials and Interfaces, 9(45), 39122-39126. 

  19. Journal Cover Article. Shayeganfar F., Shahsavari R. (2016), Oxygen and Lithium Doped Hybrid Boron-Nitrde/Carbon Network for Hydrogen StorageLangmuir, 32, 13313-13321.

  20. Shayeganfar F., Shahsavari R., (2016) Electronic and Pseudomagnetic Properties of Hybrid Carbon/Boron-Nitride Nanomaterials via Ab-initio Calculations and Elasticity TheoryCarbon, 99, 523-532. 

  21. Zhang N., Shahsavari R., (2016), Balancing Strength and Toughness of Calcium-Silicate-Hydrate via Random Voids and Particle InclusionsJournal of Mechanics and Physics of Solids, 96, 204-222.  

  22. Kim N., Metzler A., Hejazi V., Kovalchuck A., Lee S.K., Ye R., Mann J., Kittrel C., Shahsavari R., Tour J.M., (2016) Microwave heating of functionalized graphene nano ribbons in thermoset polymers for wellborn reinforcementACS Applied Materials and Interfaces, 8-12985-12991. 

      
  23. Shahsavari R., Chen L., Tao L. (2016) Structure, Energetic and Impact of Screw Dislocations in Tricalcium SilicatesJournal of American Ceramics Society, 1-9.

  24. Shahsavari R., Chen L., Tao L. (2016) Edge Dislocations in Dicalcium Silicates: Experimental Observation and Atomistic AnalysisCement and Concrete Research, 90, 80-88. 

  25. Hosseinzadeh F., Shirazian F., Shahsavari R, Khoei A.R., (2016), Local Density Variation of Gold Nanoparticles in Aquatic EnvironmentsPhysica E, 84, 489-497. 

  26. 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 MethodInternational Journal of Structural Stability and Dynamics, 17 (4), 1750059.

  27. Taha-Tijerina J., Sakhavand N., Raji K., Ajayan P., Shahsavari R., (2016) Theoretical prediction of physical properties of 2D-based nano fluidsIn press

  28. Journal Cover Article. Sakhavand N., Shahsavari R., (2015), Dimensional Crossover of Thermal Transport in Hybrid Boron Nitride NanostructuresACS Applied Materials and Interfaces8,18312-18319. 

  29. Journal Cover Article. Shahsavari R., Sakhavand N (2015), Junction Configuration-Inducded Mechanisms Govern Elastic and Inelastic Deformations in Hybrid Carbon NanomaterialsCarbon, 95, 699-709.

  30. Sakhavand N, Shahsavari R, (2015), Universal Composition-Structure-Property Map for Natural and Biomimetic Platelet-matrix Composites and Stacked HeterostructuresNature Communications, 6:6523.

  31. Abdolhosseini 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 hydratesNature Communications, 5:4960.

  32. Journal Cover Article. Jalilvand S., Shahsavari R., (2014), Molecular Mechanistic Origin of Nanoscale Contact, Friction and Scratch in Complex Particulate SystemsACS Applied Materials and Interfaces, 7, 3362-3372. DOI: 10.1021/am506411h.
        (Commentaries and Press Reports: Phys Org, Nanowerk, Technology Blog, Inoreganic Chemistry News, Rice News, etc.

  33. Shahsavari R., Chen L. (2014), Screw dislocations in complex, low Symmetry Oxides: Structures, Energetics and Impacts on Crystal GrowthACS Applied Materials and Interfaces, 7 (4), 2223-2234. 
              (Commentaries and Press Reports: Science Daily, Innovation Report, Phys Org, Materials Gate, Rice News, etc.)

  34. Journal Cover Article. Sakhavand N., Shahsavari R., (2014), Synergistic Behavior of Tubes, Junctions and Sheets Imparts Mechano-Mutable Functionality in 3D Porous Multifunctional Boron Nitride NanostructureJournal of Physical Chemistry C, 18 (39), 22730-22738, DOI: 10.1021/jp5044706.
        (Commentaries and press reports: Science Daily, Next Big Future, NSF Science 360, Materials Today, Phys Org, R&D Magazine, Rice News, Kurzweil Accelerating Intelligence, etc.)

  35. M. 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 CompositesAdvanced Functional Materials, 23, 5624-5630.

  36. Sakhavand N., Muthuramalingam P., Shahsavari R., (2013), Toughness Governs the Rupture of Interfacial H-bond Assemblies at a Critical Length Scale in Hybrid MaterialsLangmuir, 29 (25), 8154-163.   
             (Commentaries and Press Reports: Physics News, Nanotechnology Now, Phys.Org, Rice News, etc.

  37. Muthuramalingam P., Sakhavand N., Shahsavari R., (2013), H2, N2 and CH4 Gas Adsorptions in Zeolitic Imidazolate Framework-95, -100: Ab-initio Based Grand Canonical Monte-carlo SimulationJournal of Physical Chemistry C, 117 (46), 24407-24416.  
        (Commentaries and press reports: Science News, Nanowerk, Physics News, R&D Magazine, Nanotechnology Now, Product Design and Development, Rice News, etc.)

  38. Shahsavari R., Pellenq R., Ulm F.-J., (2011), Empirical force fields for complex caclio-silicate layered materialsPhysical Chemistry Chemical Physics, 13, 1002-1011.
        (Won the 2010 best poster award in the American Ceramic Society). 

  39. Shahsavari R., Pellenq R., Ulm F.-J., (2010) From atoms to microtexture of cement hydrate, The Proceedings of the Materials Research Society, Boston, MA, Nov 29 - Dec 3.  
        (Won Silver Medal in the Materials Research Society). 

  40. Pellenq R., Kushima A., Shahsavari R., Van Vliet K., Buehler M., Yip S., Ulm F.-J., (2009), A realistic molecular model of cement hydratesProceedings of National Academy of Sciences of USA, 09021180106, 1-6. 

  41. Shahsavari R., Buehler M.J., Pellenq R., Ulm F.-J., (2009), First-principles study on elastic constants and interlayer interaction of complex hydrated oxides: the case study of tobermorite and jennite, Journal of American Ceramic Society, 92 (10) 2323-2330
            (Won the 2011 Brunauer award for best paper in the American Ceramic Society). 

  42. Shahsavari R., Ulm F.-J., (2009), Indentation analysis of fractional viscoelastic solids, Journal of Mechanics of Materials and Structures, 4 (3)-523-550.

  43. Ostoja-Starzewski M., Shahsavari R., (2008), Response of a helix made of a fractional viscoelastic materialJournal of Applied Mechanics, 75, 0110121-4.

  44. Shahsavari R., Ostoja-Starzewski M.,(2005), On elastic and viscoelastic helices, Philosophical Magazine, 85 (33-35), 4213-4230. 
        (Commentaries: Invited paper to Special Issue on Recent Advances in Theoretical Mechanics)

  45. Shahsavari R., Ostoja-Starzewski M., (2005), Spectral finite element of a helix, Mechanics Research Communications, 32(2), 147-152. 

  46. Shuo Z, Shahsavari R. (2018) Hybrid force- and energy matching for potential parametrization in physisorption, In Review.
      
  47. Shayeganfar F. Shahsavari (2018), Accelerated discovery of hybrid organic-inorganic materials via first-principles calculation and machine learning, In submission.

  48. Sreeparasad S, Zhang, Q., Farzanian M, Shahsavari R. (2017), Self-sensing hierarchical composites with an unprecedented balance of strength, toughness and thermal and electrical conductivities,  In Review.

  49. Tao L., Shahsavari R. (2018) Collateral atoms govern strength of 2D materials at extreme conditions, Nature Communications, In Review.

  50. Hundi P, Shahsavari R. (2018) Structure-property mapping using artificial neural networks: predicting mechanical properties of damaged microstructures, In Submission.

  51. Tao L., Shahsavari R. (2018) Thermal-radiational shocks maps of hybrid cement-based materials, In Submission.

  52. Meysami S. Carter M., Liu X., Evers K., Babenko V., Lear B., Acapulco A., LuanWutthi S., Xiao A., Holiday P., Griffiths I., Young N., Shayeganfar F., Shahsavari R., Grober N, (2018) Hybrid carbon boron nitride nanomaterials, In Submission.

  53. Fallas P., Kimzey J., Islam M., Schowarz C., Noveron J., Shahsavari R., Alvarez P, (2018) Photocatalytic cements for water desalination: Linking feedstock properties, kinetics, structure and activity, Applied Catalysis B: Environmental, In Review.
     
  54. Hosseini E, Zakertabrizi M., Korayem A.H., Shahsavari R. (2018) Tunable, multifunctional ceramic composites via intercalation of fused  graphene-boron nitride nanosheets, Small, In Review.

  55. Shayeganfar F., Beheshtian J., Shahsavari R, (2018) Interfacial properties of water/heavy water encapsulated in boron nitride nanochannels, ACS Applied Materials and Interfaces, In Review.

  56. Shayeganfar F., Torkashvand Z., Mirabbaszadeh K., Shahsavari R (2018) Flexoelectric effect in corrugated Boron Nitride nanoribbons, ACS Applied Materials and Interfaces, In Review. 

  57. Han et al, (2018) Ultrastiff Graphene Foams as Three-Dimensional Conductive Fillers for Epoxy Resins, ACS Nano, Accepted.

Book Chapter(s)

    58. Shahsavari R, Hwang S. "Morphogenesis of Calcium-Silicate-Hydrate," An In Depth Look at Morphogenesis, Nova Science Publishers Inc., Hauppaugem, NY (2018). 

     59. 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 (2016). 

 

 

Selected Conference Proceedings/Abstracts

Shahsavari R., Ulm F.-J., Indentation Analysis of Fractional Viscoelastic Solids, 49th Annual Technical Conference of the Society of Engineering Sciences, Atlanta, GA, 2012.

Sakhavand. N, Shahsavari R., H-bond mediated load transfer in hybrid organic-inorganic materials, 49th Annual Technical Conference of the Society of Engineering Sciences, Atlanta, GA, 2012.

Sakhavand. N, Shahsavari R., Mechanisms of H-bonds in Polymer modified cementitous materials, 2012 Engineering Mechanics Institute, University of Notre-Dam, IN, 2012.

Shahsavari R., Sakahvand N., Mechanics of PVA modified Cementitious materials, The American Ceramic Society, Cements Division, Austin, TX, 2012.

Shahsavari R., Pellenq R., Ulm F.-J., Hierarchical modeling of structure and mechanics of cement hydrate: from electrons to microtexture of C-S-H, The American Ceramic Society, Cements Division, Nashville, TN, 2011.

Shahsavari R., Pellenq R., Ulm F.-J., Hierarchical modeling of cement hydrate, 48th Annual Technical Conference of the Society of Engineering Sciences, Chicago, IL, 2011.

Shahsavari R., Pellenq R., Ulm F.-J., From atoms to microtexture of cement hydrate, XIII International Conference on Chemistry of Cement, Madrid, Spain, 2011.

Pellenq R., Kushima A., Shahsavari R., Van Vliet K., Buehler M., Yip S., Ulm F.-J., A realistic molecular model of cement hydrates, 7th International Conference on Inorganic Materials, Biarrtiz, France, 2010.

Shahsavari R., Pellenq R., Ulm F.-J., Developing a robust empirical force field for cement hydrates, The American Ceramic Society, Cements Division, Lafayette, IN, July 11-13, 2010.

Shahsavari R., Pellenq R., Ulm F.-J., Microstructure of cement hydrate: from atoms to microns, Engineering Mechanics Institute, Los Angeles, CA, 2010.

Stewart K., Shahsavari R., Qu M., Lebreiro S., Yip S., Pellenq R., Ulm F.-J., van Vliet K., 2010, Designing liquid Stone: Modulating cement mechanics via computation and physical chemistry, The American Ceramic Society, Cements Division, Lafayette, IN, July 11-13, 2010.

Shahsavari R., Buehler M.J., Ulm F.-J., First-principles study on elastic constants of C-S-H minerals, San Francisco, CA, Dec 17-20, 2008.

Ostoja-Starzewski M., Shahsavari R., Response of a helix made of a fractional viscoelastic material, ASME Applied Mechanics and Materials Conference, Austin, TX, June 3-7, 2007.

Shahsavari R., Ostoja-Starzewski M., On elastic and viscoelastic helices, 20th Canadian Congress of Applied Mechanics, Montreal, Canada, May 30-June 2, 2005.