Commenced in January 2007
Frequency: Monthly
Edition: International
Paper Count: 31203
Simulation of Hydrogenated Boron Nitride Nanotube’s Mechanical Properties for Radiation Shielding Applications

Authors: Joseph E. Estevez, Mahdi Ghazizadeh, James G. Ryan, Ajit D. Kelkar


Radiation shielding is an obstacle in long duration space exploration. Boron Nitride Nanotubes (BNNTs) have attracted attention as an additive to radiation shielding material due to B10’s large neutron capture cross section. The B10 has an effective neutron capture cross section suitable for low energy neutrons ranging from 10-5 to 104 eV and hydrogen is effective at slowing down high energy neutrons. Hydrogenated BNNTs are potentially an ideal nanofiller for radiation shielding composites. We use Molecular Dynamics (MD) Simulation via Material Studios Accelrys 6.0 to model the Young’s Modulus of Hydrogenated BNNTs. An extrapolation technique was employed to determine the Young’s Modulus due to the deformation of the nanostructure at its theoretical density. A linear regression was used to extrapolate the data to the theoretical density of 2.62g/cm3. Simulation data shows that the hydrogenated BNNTs will experience a 11% decrease in the Young’s Modulus for (6,6) BNNTs and 8.5% decrease for (8,8) BNNTs compared to non-hydrogenated BNNT’s. Hydrogenated BNNTs are a viable option as a nanofiller for radiation shielding nanocomposite materials for long range and long duration space exploration.

Keywords: Radiation Shielding, Atomistic Modeling, boron nitride nanotube, young modulus

Digital Object Identifier (DOI):

Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 5888


[1] Norbury, et al., NASA LaRC Space Radiation Roadmap.
[2] J. Ravichandran, A.J. Manoj, J. Liu, I. Manna, D.L. Carroll, "A novel polymer nanotube composite for photovoltaic packaging applications,” Nanotechnology, Vol. 19, pp. 085712 (5pp), 2008.
[3] C.W. Chang, W.Q. Han, A. Zettl, "Thermal conductivity of B–C–N and BN nanotubes,” Applied Physics Letters, 86, pp. 173102. 2005.
[4] H.H. Chen, Y. Chen, C.P. Li, H. Zhang, J.S. Williams, Y. Liu, Z. Liu, S.P Ringer, "Eu-doped Boron Nitride Nanotubes as a Nanometer-Sized Visible-Light Source,” Advanced Materials, Vol. 19, pp. 1845–1848, 2007.
[5] D. Golberg, Y. Bando, C.C. Tang, C.Y. Zhi, "Boron Nitride Nanotubes,” Advanced Materials, Vol. 19, pp. 2413–2432, 2007.
[6] Y. Chen, J. Zou, S.J. Campbell, G.L. Caer, "Boron nitride nanotubes: Pronounced resistance to oxidation” Applied Physics Letters, Vol. 84, pp. 2430-2433, 2004.
[7] G. Gianni Ciofani, V. Raffa, A. Menciassi, A. Cuschieri, "Cytocompatibility, interactions, and uptake of polyethyleneimine-coated boron nitride nanotubes by living cells: Confirmation of their potential for biomedical applications,” Biotechnology and Bioengineering, Vol. 101, pp. 850–858, 2008.
[8] T.A. Hilder, "Theoretical comparison of nanotube materials for drug delivery,” Micro & Nano Letters, 3, pp. 18, 2008.
[9] C. Harrison, S. Weaver, C. Bertelsen, E. Burgett, N. Hertel, E. Grulke, "Polyethylene/Boron Nitride Composites for Space Radiation Shielding,” Journal of Applied Polymer Science, Vol. 109, pp. 2529–2538, 2008.
[10] Y. Zhi, Y. Bando, C. Tang, D. Golberg, "Specific heat capacity and density of multi-walled boron nitride nanotubes by chemical vapor deposition.” Elsevier Ltd, 2010.
[11] J. Tanskanen, M. Linnolahti, A. Karttunen, T. Pakkanen, "Structural Charateristics of Hydrogenated Carbon and Boron Nitride Nanotubes: Impact of H-H interactions.” ChemPhysChem, Vol 9, pp. 2390-2396, 2008.
[12] J. Estevez, M. Ghazizadeh, A.D. Kelkar,"Property Prediction of Single-Walled Boron Nitride Nanotubes using Molecular Dynamics Simulation” AIAA, 2012.
[13] A.D. Kelkar, G. Chandekar, R. Mohan, "Prediction of Material Properties of Singled Walled Carbon Nanotubes using MD simulations.” Nanotechnology, 2008.
[14] Younes, R, Hallal A., Fardoun F, Chehade F, "Comparative Review Study on Elastic Properties Modeling for Unidirectional Composite Materials”, Composites and Their properties, pp391-408, 2012