Molecular Dynamics Analysis

Effect of bct-5 Si on the indentation of monocrystalline silicon                                      Download »     
K. Mylvaganam and L. C. Zhang, Effect of bct-5 Si on the indentation of monocrystalline silicon, Applied Mechanics and Materials, 117-119 (2012) 666-669

Rate dependent deformation of a silicon nanowire under uniaxial compression: yielding, buckling and constitutive description                                             Download »                                                           
CY Tang, LC Zhang and K Mylvaganam, Computational Materials Science 51 (2012) 117-121

Nanotwinning in monocrystalline silicon upon nanoscratching Download »
K Mylvaganam and LC Zhang, Scripta Materialia, 65 (2011) 214-216.

Theoretical analysis of nanotube functionalization and polymer grafting Download »
K Mylvaganam and LC Zhang, Chapter 5, in: Surface Modification of Nanotube Fillers, Edited by V Mittal, Wiley-VCH Verlag, Weinheim (2011) pp.91-111 (ISBN-10: 3-527-32878-5; ISBN-13: 978-3-527-32878-9).

Nano-grooving on copper by nano-milling and nano-cutting                                      Download »    
D. D. Cui, K. Mylvaganam and L. C. Zhang, Nano-grooving on copper by nano-milling and nano-cutting, Advanced Material research, Advanced Materials research, 35 (2011) 576-581

Analysis and modeling of the high vacuum scanning spreading resistance microscopy nanocontact on silicon Download »
P Eyben, F Clemente, K Vanstreels, G Pourtois, T Clarysse, E Duriau, T Hantschel, K Sankaran, J Mody, W Vandervorst, K Mylvaganam and LC Zhang, Journal of Vacuum Science Technology B, 28 (2010) 401-406.

Mechanical properties of a silicon nano-wire under uni-axial tension and compression Download »
CY Tang, LC Zhang and K Mylvaganam, Journal of Computational and Theoretical Nanoscience, 7 (2010) 2135-2143.

Nano-friction of some carbon allotropes Download »
K Mylvaganam and LC Zhang, Journal of Computational and Theoretical Nanoscience, 7 (2010) 2199-2202.

Effect of nano-scratching direction on the damage in monocrystalline silicon
Kausala Mylvaganam and L. C. Zhang, Effect of nano-scratching direction on the damage in monocrystalline silicon, 6th Australian Congress on Applied Mechnaics, ACAM 2010, Perth, Western Australia, 12-15 December 2010

Nanoscratching-induced phase transformation of monocrystallin silicon - the depth-of-cut effectDownload »
Kausala Mylvaganam and L. C. Zhang, Nanoscratching-induced phase transformation of monocrystalline silicon – the depth-of-cut effect, Advanced Materials research, 76-78 (2009) 387-391

Scale Effect of Nano-Indentation of Silicon - A Molecular Dynamics Investigation         Download »  
K. Mylvaganam and L. C. Zhang, Scale Effect of Nano-indentation of Silicon – A Molecular Dynamics Investigation, Key Engineering Materials, 389-390 (2009) 521-526

Evolution of the metastable phases in silicon during nanoindentation: mechanism analysis and experimental verification Download »
K Mylvaganam, LC Zhang, P Eyben, J Mody and W Vandervorst,  Nanotechnology, 20 (2009) 305705.

Origin of friction in films of horizontally oriented carbon nanotubes sliding against diamond Download »
K Mylvaganam, LC Zhang and K Xiao, Carbon, 47 (2009) 1693-1700.

Wrinkling of monolayer graphene: A study by molecular dynamics and continuum plate theory Download »
CY Wang, K Mylvaganam and LC Zhang, Physical Review B, 80 (2009) 155445.

Dynamic Properties of Carbon Nanotubes
Kausala Mylvaganam and L. C. Zhang, Dynamic Properties of Carbon Nanotubes, 5th International Symposium on Nanomanufacturing, ISNM 2008, Singapore, 23-25 January 2008, a9.

Effect of Water on the Nano-Friction and Nano-Wear of a Silicon-Diamond System at High Speed Sliding
C. Y. Tang, L. C. Zhang and Kausala Mylvaganam, Effect of Water on the Nano-Friction and Nano-Wear of a Silicon-Diamond System at High Speed Sliding, 5th International Symposium on Nanomanufacturing, ISNM 2008, 23-25 January 2008, a14

The intrinsic Frictional Property of Carbon Nanotubes                                                      Download » 
L. C. Zhang, Kausala Mylvaganam, K. Q. Xiao, The intrinsic Frictional Property of Carbon Nanotubes, Advanced Materials Research 32 (2008) 1-4

Mechanics of carbon nanotubes and their composites LC Zhang, Chapter 9, in: Micro and Nano Mechanical Testing of Materials and Devices, edited by F Yang and J Li, Springer (2008) pp.179-213 (9780387787008)

Microstructural changes in silicon caused by indentation and machining
LC Zhang, Chapter 4, in: Semiconductor Machining on the Micro-Nanoscale, edited by JW Yan and J Patten, Research Signpost, India (2008) pp.155-197 (9788178953044)

Simulation of chemically bonded nanotube-polyethylene composites subjected to mechanical loading
Kausala Mylvaganam and L. C. Zhang, Simulation of chemically bonded nanotube-polyethylene composites subjected to mechanical loading, 5th Australian Congress on Applied Mechnaics, ACAM 2007, Brisbane, Australia, 10-12 December 2007, Vol. 2: pp.427- 431

Ballistic resistance capacity of carbon nanotubes Download »
K Mylvaganam and LC Zhang, Nanotechnology, 18 (2007) 475701

A cross-scale characterization of interface properties between carbon nanotube and polymer matrixDownload »
K. Mylvaganam and L. C. Zhang, A cross-scale characterization of interface properties between carbon nanotube and polymer matrix, Key Engineering Materials 312 (2006), 217-222

Nano-characterisation of materials: silicon, copper, carbon nanotubes and diamond thin films
LC Zhang, Chapter 8, in: Handbook of Theoretical and Computational Nanotechnology, Volume 8: Functional Nanomaterials, Nanoparticles, and Polymer Design,edited by M Rieth and W Schommers, American Scientific Publishers, Stevenson Ranch, California, USA (2006) pp. 395-456 (ISBN: 1588830500)

A concurrent multiscale method based on the meshfree method and molecular dynamics analysis Download »
YT Gu and LC Zhang,  Multiscale Modelling & Simulation, 5 (2006) 1128-1155.

Deformation-promoted reactivity of single-walled carbon nanotubes Download »
K Mylvaganam and LC Zhang,  Nanotechnology, 17 (2006) 410-414.

A three-dimensional molecular dynamics modeling of nano-cutting processes Download »
H Tanaka and LC Zhang, Proceedings of the Third International Conference on Progress of cutting and grinding, Osaka, Japan, November 1996, 262-266

Nano-tribological analysis by molecular dynamics simulation – a review Download »
LC Zhang and K Mylvaganam, Journal of Computational and Theoretical Nanoscience 3 (2006) 167-188.

Structural evolution of carbon nanotubes in composites under contact sliding stresses Download »
I Zarudi and LC Zhang,Applied Physics Letters, 88 (2006) 243102.

The bending-kinking analysis of a single-walled carbon nanotube – a combined molecular dynamics and continuum mechanics technique Download »
K Mylvaganam, T Vodenitcharova and LC Zhang, , Journal of Materials Science 41 (2006) 3341-3347.

The energy absorption capacity of carbon nanotubes under ballistic impact Download »
K Mylvaganam and LC Zhang, Applied Physics Letters, 89 (2006) 123127.

A molecular dynamics analysis of the mechanical effect of water on the deformation of silicon monocrystals subjected to nano-indentation Download »
CY Tang and LC Zhang, Nanotechnology, 16 (2005) 15-20.

The Shape effects of Silicon Nanowires - A Molecular Dynamics and Density Functional Theory Study
Kausala Mylvaganam and L. C. Zhang, The Shape effects of Silicon Nanowires – A Molecular Dynamics and Density Functional Theory Study, Proceedings of the 2nd JSME/ASME International Conference on Materials and Processing, Seattle, USA 19-22 June, 2005, Compact Disc JSME No.05-203, Paper CMC-13.

A molecular dynamics and quantum mechanics modelling of single crystal silicon nanowire structures Download »
K Mylvaganam and LC Zhang, Journal of Computational and Theoretical Nanoscience 2 (2005) 385-388.

Nanotube Bending Due to Central Loading  Download »
K Mylvaganam and LC Zhang, Journal of Computational and Theoretical Nanoscience 2(2) (2005) 251-255.

Chemical bonding in polyethylene-nanotube composites: a quantum mechanics prediction Download »
K Mylvaganam and LC Zhang, Journal of Physical Chemistry B, 108 (2004) 5217-5220.

Important issues in a molecular dynamics simulation for characterizing the mechanical properties of carbon nanotubes Download »
K Mylvaganam and LC Zhang, Carbon, 42 (2004) 2025-2032.

Nanotube fuctionalization and polymer grafting: an ab initio study Download »
K Mylvaganam and LC Zhang, Journal of Physical Chemistry B, 108 (2004) 15009-15012.

The deformation of nano-whiskers of mono-crystalline copper: shape effect, properties, shear banding and necking Download »
LC Zhang, H Tanaka and P Gupta, Key Engineering Materials, 274-276 (2004) 331-336.

Mono-crystalline silicon subjected to multi-asperity sliding: nano-wear mechanisms, subsurface damage and effect of asperity interaction Download »
WCD Cheong and LC Zhang, International Journal of Materials and Product Technology, 18 (2003) 398-407.

Atomistic Deformation of Silicon under Triaxial StressesDownload »
K. Mylvaganam and L. C. Zhang, Atomistic Deformation of Silicon under Triaxial Stresses, Key Engineering Materials Vols. 233-236 (2003) 615-620.

Residual stress induced atomic scale buckling of diamond carbon coatings on silicon substrate Download »
K Mylvanagam and LC Zhang, Thin Solid Films, 425 (2003) 145-149.

Effect of oxygen penetration in silicon due to nano-indentation Download »
K Mylvanagam and LC Zhang, Nanotechnology, 13 (2002) 623-626.

A molecular dynamics study of scale effects on the friction of single-asperity contacts Download »
LC Zhang, K L Johnson and WCD Cheong, Tribology Letters, 10 [1-2] (2001) 23-28.

Some essentials of simulating nano-surfacing processes using the molecular dynamics method Download »
WCD Cheong, LC Zhang and H Tanaka, Key Engineering Materials, 196 (2001) 31-42.

Effect of repeated nano-indentations on the deformation in monocrystalline silicon Download »
WCD Cheong and LC Zhang, Journal of Materials Science Letters, 19 (2000) 439-442.

Molecular dynamics simulation of phase transformations in silicon monocrystals due to nano-indentation Download »
WCD Cheong and LC Zhang,  Nanotechnology, 11 [3] (2000) 173-180.

On the mechanics and physics in the nano-indentation of silicon mono-crystals Download »
LC Zhang and H Tanaka,  JSME International Journal, Series A: Solid Mechanics & Material Engineering, 42 (1999) 546-559.

Atomic Scale Deformation in Silicon Monocrystals Induced by Two-Body and Three-Body Contact Sliding Download »
LC Zhang and H Tanaka,  Tribology International, 31 (1998) 425-433.

Towards a deeper understanding of friction and wear on the atomic scale - A molecular dynamics analysis Download »
LC Zhang and H Tanaka, Wear, 211 (1997) 44-53.