Singh, Chandra Veer

Singh, Chandra Veer

Chandra Veer Singh | BSc (Dayalbagh), MTech (IISc), PhD (Texas A&M), PEng
Associate Professor, Associate Chair, Research & Erwin Edward Hart Endowed Professor

Office: WB 137
T: 416.946.5211

Research Group: Computational Materials Engineering (CME) Laboratory

** Positions available for graduate students; please contact Professor Singh for more information. Prospective graduate students must meet MSE Department admissions criteria for official acceptance. **

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Professional Memberships

  • Materials Research Society (MRS)
  • The Minerals, Metals & Materials Society (TMS), Lifetime Member
  • The American Society of Mechanical Engineers (ASME)

Research Areas

Improving performance limits of novel materials

In order to meet 21st Century challenges, we need to design and manufacture novel materials that are strong, light weight, durable and multifunctional. Despite significant breakthroughs in recent decades, materials fail at 1/10th or less of their intrinsic limits. This failure of materials is the principle bottleneck for developing future energy, healthcare, aerospace and automotive technologies.

In the past, advances in materials science involved extensive laboratory testing coupled with a healthy dose of guesswork. Often, this approach is expensive and time-consuming. Computational Materials Engineering (CME) permits controlled experimentation on computers and assists in designing novel materials. We employ a combination of newly developed CMS techniques to investigate following research problems:

Atomistic modeling of nano-scale fracture and failure

Our lab uses a combination of modern atomistic modeling techniques (Molecular Dynamics, Density Functional Theory) to develop a more fundamental understanding of the deformation and failure mechanisms in a variety of new-age materials such as graphene, nano-composites, nuclear and energy storage materials.

Improving strength and fracture properties of nano-composites used in tissue engineering through atomistic based multiscale modeling

Tissue damage due to congenital diseases, accidents and end-stage organ failures affects millions of people worldwide. Fortunately, it is now possible to engineer tissues in vitro that can specifically meet the needs of individual patients. Carbon nanotubes blended with Chitosan show significant improvement in mechanical properties such as stiffness and hardness. However, their interfacial strength and fracture toughness properties fall below expectations. By investigating failure characteristics, we develop a route for improving structural properties of these novel materials.

Developing efficient energy storage materials

By employing modern electron structure calculation techniques, our team tries to improve energy storage capabilities of nano-structured materials.

Designing ultra-strong alloys by nanostructuring

The strength of alloys comes from a variety of hardening mechanisms such as precipitation hardening, solid-solution hardening, grain boundary hardening etc. Until now, development of these alloys has been empirical in nature. By combining atomistic and continuum simulation approaches, we investigate different strength contributions and develop new alloys that have optimum strength and hardness characteristics.

Select publications

A. Book(s)

Talreja R and Singh CV. (2012) Damage and Failure of Composite Materials, Cambridge University Press, London. ISBN: 9780521819428, DOI: 10.1017/cbo9781139016063

B. Book Chapter(s)


C.V. Singh (2017), “Micromechanics of damage evolution in laminates”, Invited, In: Peter Beaumont and Carl Zweben (Eds.), Comprehensive Composite Materials II, Volume 2, Chapter 2.7, pp. 118-147.

C.V. Singh  (2016), “Multiscale predictions of age hardening curves in Al-Cu alloys”, Invited, In: Schmauder, S. (Ed), Multiscale Materials Modeling: Approaches to Full Multiscaling, ISBN: 9783110412369, De Gruyter, Germany, pp. 37-72. DOI: 10.1515/9783110412451-005

C.V. Singh  (2015), “Evolution of multiple matrix cracking”, Invited, Chapter 8, In: R. Talreja and Varna, J. (Eds), Modeling Damage, Fatigue and Failure in Composite Materials, ISBN: 9781782422860, Woodhead Publishing (Elsevier), pp. 143-171. DOI: 10.1016/B978-1-78242-286-0.00008-X

C.V. Singh  (2015), “A multi-scale synergistic damage mechanics approach for modelling progressive failure in composite laminates”, Invited, Chapter 4, In: Beaumont, P. W. R., Soutis, C. and Hodzic, A. (Eds), Structural Integrity and Durability of Advanced Composites: Innovative Modelling Methods and Intelligent Design, ISBN: 9780081001370, Woodhead Publishing (Elsevier), pp. 73-101. DOI: 10.1016/B978-0-08-100137-0.00004-3

C.V. Singh  and R. Talreja (2015), “A multiscale approach to modeling of composite damage”, Chapter 14, In: R. Talreja and Varna, J. (Eds), Modeling Damage, Fatigue and Failure in Composite Materials, ISBN: 9781782422860, Woodhead Publishing (Elsevier), pp. 329-345. DOI: 10.1016/B978-1-78242-286-0.00014-5

C. Refereed Journal Articles

T. Gao, S. Mukherjee, I. Srivastava, M. Daly, and C.V. Singh  (2017), “Atomistic origins of ductility enhancement in metal oxide coated silicon nanowires for Li-ion battery anodes”, Advanced Materials Interfaces, published online. DOI: 10.1002/admi.201700920

S. Yadav, K. Chattopadhyay, and C.V. Singh  (2017), “Solar grade silicon production: A review of kinetic, thermodynamic and fluid dynamics based continuum scale modeling”, Renewable & Sustainable Energy Reviews, 78, 1288-1314. DOI: 10.1016/j.rser.2017.05.019

W. Tu, M. Ghoussoub, C.V. Singh , Y.H. Chin (2017), “Consequences of surface oxophilicity of Ni, Ni-Co, and Co clusters on methane activation”, Journal of the American Chemical Society, 139, 6928-6945, DOI: 10.1021/jacs.7b01632 {IF=13.858}

Z. Shi, and C.V. Singh  (2017), “Ideal strength of two-dimensional stanene may reach or exceed Griffith strength estimate”, Nanoscale, 9, 7055-7062, highlighted on the back inside cover. DOI: 10.1039/C7NR00010C

L. Li, Chen, L., Mukherjee, S., Gao, J., H. Sun, Liu, Z., Ma, X., C. V. Singh, Ren, W., Cheng, H.M., and N. Koratkar (2017), “Phosphorene as a polysulfide immobilizer and catalyst in high-performance lithium-sulfur batteries”, Advanced Materials, 29(2), 1602734. DOI: 10.1002/adma.201602734

L. B. Hoch, P. Szymanski, K. K. Ghuman, L. He, K. Liao, Q., Q., Y. Zhu, M.A. El-Sayed, C.V. Singh , and G. A. Ozin (2016), “Charge carrier dynamics and the role of surface defects: Designing a photocatalyst for gas-phase CO2 reduction”, Proceedings of National Academy of Sciences (PNAS), 113 (50), E8011–E8020. DOI: 10.1073/pnas.1609374113

M. Ghoussoub, S. Yadav, K. K. Ghuman, G. A. Ozin, and C.V. Singh  (2016), “Metadynamics-biased ab initio molecular dynamics study of heterogeneous CO2 reduction via surface frustrated Lewis pairs”, ACS Catalysis, 6, 7109–7117. DOI: 10.1021/acscatal.6b01545 {IF=10.614}

H. Sun, Mukherjee, S., Krishnan, A., Manohar, K. H., M. A. Daly, and C.V. Singh (2016), “New insights into structure-nonlinear mechanical property relations for graphene allotropes”, Carbon, 110, 443–457. DOI: 10.1016/j.carbon.2016.09.018

Sun, W., C. Qian, L. He, K. K. Ghuman, A. P. Y. Wong, J. Jia, P. G. O’Brian, L. M. Reyes, T. E. Wood, A. S. Helmu, C. A. Mims, C.V. Singh, and G. A. Ozin (2016), “Heterogeneous reduction of CO2 by hydride-terminated silicon nanocrystals”, Nature Communications., 7, 12553.  DOI: 10.1038/ncomms12553 {IF=12.124}

J. Gao, L. Li, J. Tan, H. Sun, B. Li, J. C. Idrobo, C.V. Singh,, T. M. Lu, and N. Koratkar, “Vertically oriented arrays of ReS2 nanosheets for electrochemical energy storage and electrocatalysis”, Nano Letters, 16: 3780–3787. DOI: 10.1021/acs.nanolett.6b01180.

K. K. Ghuman, L. Hoch, P. Szymanski, M. El-Sayed, J. Loh, N. Kherani, G. A. Ozin, and C.V. Singh, (2016), “Photo-excited surface frustrated Lewis pairs for heterogeneous photocatalytic CO2 reduction”, Journal of the American Chemical Society (JACS), 138, 1206–1214. DOI: 10.1021/jacs.5b10179

C. Cao*, Daly*, M. A., Chen, B., C.V. Singh, T. Filleter, Y. Sun (2015), “Strengthening in graphene oxide nanosheets: bridging the gap between interplanar and intraplanar fracture”, Nano Letters, 15 (10), 6528–6534. DOI: 10.1021/acs.nanolett.5b02173 {IF=12.712} *Equal authors; all supervisors were corresponding authors. Cited 10 times

L. Li, Z. Wu, H. Sun, D. Chen, J. Gao, S. Suresh, C.V. Singh,, and N. Koratkar (2015), “A foldable lithium-sulfur battery”, ACS Nano, 9(11), 11342–11350. DOI: 10.1021/acsnano.5b05068

C. Cao*, M. A. Daly*, C.V. Singh, Y. Sun, and T. Filleter (2015), “High strength measurement of monolayer graphene oxide”, Carbon, 81, 497-504. DOI: 10.1016/j.carbon.2014.09.082. {IF=6.198} *Equal authors; all supervisors were corresponding authors. Cited 32 times

E. Bele, C.V. Singh,, and G. D. Hibbard (2015), “Failure mechanisms in thin-walled nanocrystalline tubes”, Acta Materialia, 86, 157-168. DOI: 10.1016/j.actamat.2014.11.041.

S. Yadav, Z. Zhu, and C.V. Singh, (2014), “Defect engineering of graphene for effective hydrogen storage”, International Journal of Hydrogen Energy, 39, 4981-4995. DOI: 10.1016/j.ijhydene.2014.01.051