Peer Reviewed Journal Publications


54. Villada J. T., Lyngdoh G., Paswan R., Oladipo, B., Das, S. Evaluating the adhesion response of acrylonitrile-butadiene-styrene (ABS)/thermoplastic polyurethane (TPU) fused interface using multiscale simulation and experiments, Materials & Design. (2023) Volume 232, August 2023, 112155.

53. Oladipo, B., Matos, H., Krishnan, N.M.A, Das, S. Integrating Experiments, Finite Element Analysis, and Interpretable Machine Learning to Evaluate the Auxetic Response of 3D Printed Re-entrant Metamaterials, Journal of Materials Research and Technology. (2023) Volume 25, July–August 2023, Pages 1612-1625.

52. Doner, S., Paswan, R., Das, S. The influence of metallic particulate inclusions on the mechanical and thermal performance of 3D printable acrylonitrile-butadiene-styrene/thermoplastic polyurethane fused polymer blends, Materials Today Communications. 35 (2023) 106111.

51. Li, H.-W.-X., Lyngdoh, G., Krishnan, N. M. A. & Das, S. Machine learning guided design of microencapsulated phase change materials-incorporated concretes for enhanced freeze-thaw durability. Cement and Concrete Composites 140, 105090 (2023)

50.Chaudhary, B., Matos, H., Das, S. & Owens, J. Multifunctional carbon/epoxy composites with power transmission capabilities. Materials Today Communications 35, 105665 (2023).

49. Doner, S., Villada, J. T. & Das, S. Improving the Creep Resistance of Hardened Cement Paste through the Addition of Wollastonite Microfibers: Evaluation Using the Micro-Indentation Technique. Applied Sciences 13, 2933 (2023).


48. Lyngdoh G.A., Das S., (2022) “Elucidating the Interfacial Bonding Behavior of Over-Molded Hybrid Fiber Reinforced Polymer Composites: Experiment and Multiscale Numerical Simulation”, ACS Applied Materials & Interfaces, , 14, 38, 43666–43680.

47. Pittie T., Kunwar G., Das S., Jain J., Krishnan NMA. (2022), “ Determining the threshold displacement energy of magnesium using molecular dynamics simulations”, Bulletin of Materials Science 45 (3), 1-7.

46. Doner S., Lyngdoh G., Nayak S., Das S. (2022), “ Fracture Response of Wollastonite Fiber-reinforced Cementitious Composites: Evaluation using Micro-indentation and Finite Element Simulation”, Ceramics International, 48 (11), 15493-15503.

45. Lyngdoh G., Zaki M., Krishnan N.M.A., Das S., (2022) “Prediction of Concrete Strengths Enabled by Missing Data Imputation and Interpretable Machine Learning” Cement and Concrete Composites, Volume 128, April 2022, 104414.

44. Lyngdoh, G. A.; Kelter, N.-K.; Doner, S.; Krishnan, N. M. A.; Das, S. (2022) Elucidating the Auxetic Behavior of Cementitious Cellular Composites Using Finite Element Analysis and Interpretable Machine Learning. Mater. Des., 213, 110341.

43. Nayak S., Lyngdoh G.A., Shukla A., Das S, (2022) “Predicting the Near Field Underwater Explosion Response of Coated Composite Cylinders using Multiscale Simulations, Experiments, and Machine Learning”, Composite Structures.


42. Lyngdoh G.A., Das S., (2021) “Integrating Multiscale Numerical Simulations with Machine Learning to Predict the Strain Sensing Efficiency of Nano-engineered Smart Cementitious Composites”, Materials & Design 209, 1 November 2021, 109995.

41. Nayak S., Das S., (2021) “Strain sensing efficiency of hierarchical nano-engineered smart twill-weave composites: Evaluations using multiscale numerical simulations”, Composite Structures, 255, 112905.

40. Lyngdoh, G.A.; Doner, S.; Nayak, S.; Das, S., (2021), “Finite Element-Based Numerical Simulations to Evaluate the Influence of Wollastonite Microfibers on the Dynamic Compressive Behavior of Cementitious Composites”, Materials 2021, 14, 4435.


39. Lyngdoh G.A., Li H., Zaki M., Krishnan NMA, Das S, (2020) “Elucidating the Constitutive Relationship of Calcium–Silicate–Hydrate Gel using High Throughput Reactive Molecular Simulations and Machine Learning”, Scientific Reports, 10, Article number: 21336.

38. Lyngdoh G.A., Kumar R., Krishnan N.M.A, Das S., (2020) “Dynamics of confined water and its interplay with ionic species in sodium aluminosilicate hydrate gel: Insights from reactive force field molecular dynamics”, Physical Chemistry Chemical Physics, Royal Society of Chemistry, 22, 23707-23724.

37. Lyngdoh G.A., Nayak S., Krishnan N.M.A, Das S., (2020) “Fracture toughness of fly ash-based geopolymer gels: Evaluations using nanoindentation experiment and molecular dynamics simulation”, Construction and Building Materials , 262, 120797.

36. Lyngdoh G.A., Nayak S., Kumar R., Krishnan N.M.A, Das S., (2020) “Fracture Toughness of Sodium Aluminosilicate Hydrate Gels: Insights from Molecular Dynamics Simulations”, Journal of Applied Physics, 127, 165107 (2020).

35. Nayak S., Ravinder R., Krishnan NMA., Das S., (2020) “A peridynamics-based micromechanical modeling approach for random heterogeneous structural materials”, Materials, 13, 1298.

34. P. Bhaskar, R. Kumar, Y. Maurya, R. Ravinder, A.R. Allu, S. Das, N.N. Gosvami, R.E. Youngman, M.S. Bødker, N. Mascaraque, M.M. Smedskjaer, M. Bauchy, N.M.A. Krishnan, Cooling rate effects on the structure of 45S5 bioglass: Insights from experiments and simulations, Journal of Non-Crystalline Solids. 534 (2020) 119952


33. Rivera J., Berjikian J., Ravinder R., Kodamana H., Das S., Bhatnagar N., Bauchy M., Krishnan NMA, (2019) “Glass Fracture upon Ballistic Impact: New Insights from Peridynamics Simulations”, Frontiers in Materials, 6:239. doi: 10.3389/fmats.2019.00239

32. Doner S., Nayak S., Senol K., Shukla A., Krishnan N.M.A, Yilmazcoban KI, Das S., (2019) “ Dynamic Compressive Behavior of Metallic Particulate-reinforced Cementitious Composites: SHPB Experiments and Numerical Simulations”, Construction and Building Materials, 227, 116668.

31. Lyngdoh G.A., Kumar R., Krishnan N.M.A, Das S., (2019) “ Realistic atomic structure of fly ash-based geopolymer gels: Insights from molecular dynamics simulations”, Journal of chemical physics, 151 (6), 064307.

30. Das S., Yang P., Singh SS., Mertens JCE, Xiao X., Chawla N., Neithalath N., (2019) “Prediction of Effective Properties of Fly Ash-Based Geopolymers”, ACI Special Publication: Nanotechnology for Improved Concrete Performance , 335, 49-62

29. Akturk B., Nayak S., Das S., Kizilkanat A.B., (2019) “Microstructure and Strength Development of Sodium Carbonate Activated Blast Furnace Slags”, Journal of Materials in Civil Engineering ASCE, 31(11): 04019283 .

28. Nayak S., Das S., (2019) “Spatial damage sensing ability of metallic particulate-reinforced cementitious composites: Insights from electrical resistance tomography”, Materials & Design, 175, 107817.

27. Nayak S., Lyngdoh GA, Das S., (2019) “A Influence of microencapsulated phase change materials (PCMs) on the chloride ion diffusivity of concretes exposed to Freeze-thaw cycles: Insights from multiscale numerical simulations”, Construction and Building Materials , 212, 317-328.

26. Nayak S., Krishnan N.M.A, Das S ., (2019) “Fracture Response of Metallic Particulate-reinforced Cementitious Composites: Insights from Experiments and Multiscale Numerical Simulations”, Cement and Concrete Composites,  97, 154-165.

25. Nayak S., Krishnan N.M.A, Das S., (2019) “Microstructure-guided Numerical Simulation to Evaluate the Influence of Phase Change Materials (PCMs) on the Freeze-thaw response of Concrete Pavements”, Construction and Building Materials , 201, 246-256

24. Das S ., Hoffarth C., Ren B., Spencer B., Sant G., Rajan S.D., Neithalath N., (2019) “Simulating the Fracture of Notched Mortar Beams through Extended Finite Element Method (XFEM) and Peridynamics”, Journal of Engineering Mechanics ASCE, Volume 145 Issue 7 – July 2019. DOI 10.1061/(ASCE)EM.1943-7889.0001628

23. Nayak S., Kizilkanat A., Neithalath N., Das S., (2019) “Experimental and Numerical Investigation of the Fracture Behavior of Particle Reinforced Alkali Activated Slag Mortars”, Journal of Materials in Civil Engineering ASCE, 31, 5, 04019043 1-11  DOI 10.1061/(ASCE)MT.1943-5533.0002673

22. Nayak S., Das S., (2019) “A Microstructure-guided Numerical Approach to Evaluate Strain Sensing and Damage Detection Ability of Random Heterogeneous Self-sensing Structural Materials”, Computational Materials Science, 156, 195-205.


21. Das S., Aguayo M., Kabay N., Mobasher B., Sant, G., Neithalath N. (2018), “Elucidating the influences of compliant microscale inclusions on the fracture behavior of cementitious composites”. Cement and Concrete Composites, 94, 13–23.

20. Das S., Aguayo M., Sant, G., Neithalath N. (2018), “Microstructure-Guided Numerical Simulation to Predict the Thermal Performance of a Hierarchical Cement-Based Composite Material”. Cement and Concrete Composites, 87, 20–28.

19. Dakhane A., Das, S., Hansen H., O’Donnell S., Hanoon F., Rushton A., Perla C., Neithalath N. (2018) “Crack Healing in Cementitious Mortars using Enzyme Induced Carbonate Precipitation (EICP): Quantification Based on Fracture Response”, Journal of Materials in Civil Engineering ASCE, Volume 30 Issue 4 – April 2018.


18. Das S., Xiao X., Chawla N., Neithalath N. (2017) “Effective Constitutive Response of Sustainable Next Generation Infrastructure Materials through High-Fidelity Experiments and Numerical Simulation”, Procedia Engineering, 173, 1258-1265.

17. Wei Z., Falzone G., Das S., Saklani N., Pepe YL, Pilon L., Neithalath N., Sant G. (2017) “Restrained shrinkage cracking of cementitious composites containing soft PCM inclusions: A paste (matrix) controlled response”, Materials and Design, 132, 367-374.

16. Aguayo, M., Das S., Castro, C., Kabay, N., Sant, G., Neithalath N. (2017) “Porous Inclusions as Hosts for Phase Change Materials in Cementitious Composites: Characterization, Thermal Performance, and Analytical Models”, Construction and Building materials, 134, 574-584.


15. Das S., Maroli A., Singh S., Stannard T., Mertens J., Xiao X., Chawla N., Neithalath N. (2016), “A Microstructure-Guided Constitutive Modeling Approach for Random Heterogeneous Materials: Application to Structural Binders”, Computational Materials Science, 119, 52-164.

14. Das S., Stone D., Mobasher B., Neithalath N. (2016), “Strain energy and process zone based fracture characterization of a novel iron carbonate binding material”, Engineering Fracture Mechanics, 156, 1-15.

13. Das S., Maroli A., Neithalath N. (2016) “Finite Element-Based Micromechanical Modeling of the Influence of Phase Properties on the Elastic Response of Cementitious Systems”, Construction and Building materials, 127, 153-166.

12. Das S., Kizilkanat A., Chowdhury S., Stone D., Neithalath N. (2016), “Temperature-induced Phase and Microstructural Transformations in a Synthesized Iron Carbonate (Siderite) Complex”, Materials and Design, 92, 189-199.

11. Dakhane A., Das S., Kailas S., Neithalath N. (2016), “Elucidating the Crack Resistance Response of Alkali Activated Slag Mortars through Coupled Fracture Tests and Digital Image Correlation”, Journal of the American Ceramic Society, 90, 273-280.

10. Aguayo M., Das S., Maroli A., Kabay N., Mertens J., Sant G., Rajan S.D., Chawla N., Neithalath N. (2016), “The Influence of Microencapsulated Phase Change Material (PCM) Characteristics on the Microstructure and Strength of Cementitious Composites: Experiments and Finite Element Simulations”, Cement and Concrete Composites, 73, 29-41.


9. Das S., Aguayo M., Sant G., Mobasher B., Neithalath N. (2015) , “Fracture process zone and tensile behavior of blended binders containing limestone powder”, Cement and Concrete Research,73, 51-62.

8. Das S., Kizilkanat A.B., Neithalath N. (2015), “Crack Propagation and Strain Localization in Metallic Particulate-Reinforced Cementitious Mortars”, Materials and Design, 79, 15-25.

7. Das S., Gur S., Mishra S. K., Chakraborty S. (2015) “Optimal performance of base isolated building considering limitation on excessive isolator displacement”, Structure and Infrastructure Engineering, 11, 7, 904-917.

6. Das S., Hendrix A., Stone D. A., Neithalath N. (2015) Flexural Fracture Response of a Novel Iron Carbonate Matrix – Glass Fiber Composite and its Comparison to Portland Cement-based Composites”, Construction and Building Materials, 93, 360-370.

5. Das S., Yang P., Singh S., Mertens J., Xiao X., Chawla N., Neithalath N. (2015), “Effective Properties of a Fly Ash Geopolymer: Synergistic Application of Tomography, Nanoindentation, and Homogenization Models”. Cement and Concrete Research, 78, 252-262.


4. Das S., Souliman B., Stone D. A., Neithalath N. (2014) “Synthesis and Properties of a Novel Structural Binder Utilizing the Chemistry of Iron Carbonation”, ACS applied materials & interfaces, American Chemical Society, 6, 11, 8295-8304.

3. Das S., Stone D. A., Convey D., Neithalath N. (2014) ‘‘Pore- and Micro-structural Characterization of a Novel Structural Binder based on Iron Carbonation’’, Materials Characterization, 98, 168-179.

2. Das S., Aguayo M., Dey V., Kachala R., Mobasher B., Sant G., Neithalath N. (2014) ‘‘The fracture response of blended formulations containing limestone powder: Evaluations using two-parameter fracture model and digital image correlation’’, Cement and Concrete Composites, 53, 316-326.

1. Das S., Mishra S. K. (2014), ‘‘Optimal Performance of Buildings Isolated By Shape-Memory-Alloy-Rubber-Bearing (SMARB) Under Random Earthquakes’’, International Journal for Computational Methods in Engineering Science and Mechanics,15, 3, 265-276.

Conference Proceedings Publications / Presentations

  1. Das, S., Neithalath, N., (2016). “Synergistic Application of X-Ray Synchrotron Tomography, Nanoindentation and Numerical Homogenization Toward Property Prediction of Geopolymers”, ACI Convention Fall 2016, Philadelphia, PA, October 26, 2016.
  2.  Das, S., and Neithalath, N., (2016). “Microstructure-Guided Constitutive Modeling and Fracture Prediction of Cementitious Systems”, 1st International Conference on Grand Challenges in Construction Materials, University of California Los Angeles, Los Angeles, March 17-18, 2016.
  3.  Das, S., and Neithalath, N., (2016). “Effective Constitutive Response of Sustainable Next Generation Infrastructure Materials through High-Fidelity Experiments and Numerical Simulation”, 11th International Symposium on Plasticity and Impact Mechanics, New Delhi, India, December 11-14, 2016.
  4.  Das, S., Maroli, A., and Neithalath, N., (2016). “Micromechanical Modeling for Material Design of Durable Infrastructural Materials: The Influence of Aggregate and Matrix Modification on Elastic Behavior of Mortars”, International Conference on the Durability of Concrete Structures, Shenzhen, P.R.China, Jun 30 –Jul 1, 2016.
  5.  Das, S., Singh, S., Chawla, N., and Neithalath, N., (2016). “Microstructure-Guided Design and Development of Sustainable Next Generation Infrastructure Materials through Numerical Simulation”, ACI Convention Spring 2016, Milwaukee, Wisconsin, April 17-21, 2016.
  6.  Das, S., Yang, P., Singh, S., Chawla, N., and Neithalath, N., (2015). “Microstructure-based modeling of effective properties of fly ash-based geopolymeric systems”, Proceedings of the 2nd International ACI India Chapter conference on Advances in Concrete, Mumbai, December 2015.
  7.  Das, S., Aguayo, M., Yang, P., Arora, A., Neithalath, N., (2014). “Beneficial Effects of Ternary Limestone Blended OPC Binders”, Arizona Pavements/Materials Conference, Phoenix, AZ. November 2014.
  8. Aguayo, M., Das, S., Neithalath, N., (2014). “Phase Change Materials in Transportation Infrastructure”, Arizona Pavements/Materials Conference, Phoenix, AZ. November 2014.
  9.  Das, S., Neithalath, N., (2013). “Utilizing the Chemistry of Iron Carbonation to Synthesize Novel Binder Systems.” Arizona Pavements/Materials Conference, Phoenix, AZ. November 2013.
  10. Mishra S.K., Das S. (2013), “Performance of Connected Buildings Under Parameter Uncertainty Subjected to Random Earthquakes”, Proceedings of the International Symposium on Engineering under Uncertainty: Safety Assessment and Management, Shibpur, Howrah, India, 2013.


Neithalath N., Stone D. and Das S. (2015). “High fracture toughness metallic carbonate matrix-fiber composites.” US patent 62/131,799.

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