Comprehensive molecular dynamics simulations of carbon nanotubes under axial force or torsion vibration and new continuum models

... continuum models suitable to analyze mechanics of carbon nanotube (CNT) under uni -axial deformation, torsion, and vibration In general, continuum models of CNT are calibrated from atomistic simulations ... 87 4.2 Torsional buckling of CNT 96 4.2.1 Definition of torsional buckling 96 4.2.2 Torsional buckling results for non-chiral SWCNTs 98 4.2.3 Effect of θ an...

Ngày tải lên: 09/09/2015, 11:19

... atoms near the surface, as compared with those in the bulk, and the increasing dominance of the surface would decrease the strength of the structure 3.2 The melting properties of the SiNWs The variation ... materials [36] The change of the melting temperature of nanostructures depends on their surface This indicates that the unstable surface of free-s...

Ngày tải lên: 16/03/2014, 15:18

... simulation of the RNIL process The objectives of this study are to understand the deformation behavior of imprinted film and the effect of adhesion and friction with changes of the roller tooth ... of 0.002° per time step The unit of time step was 10-15 s The characteristic width and height of the roller tooth were both nm The roller was composed...

Ngày tải lên: 21/06/2014, 20:20

... the performance of FMM on GRAPE In this paper we describe our new formulation to speed up far field force calculation – a significant calculation part of FMM on GRAPE Remaining parts of the paper ... and force evaluation Force- evaluation stage consists of near field and far field evaluation parts In the case of original FMM, only the near field part of...

Ngày tải lên: 22/03/2014, 11:20

... et al Figure Morphology of CNTs grown under different dc bias voltages FESEM images of CNTs grown under (a) -200 V, (b) -100 V, and (c) V (d) TEM images of CNTs grown under V (inset shows a higher ... spectra of CNTs grown under negative and zero dc bias voltage represent sp3 rich phases of CNTs and suggest the existence of amorphous carbon or def...

Ngày tải lên: 06/05/2014, 08:53

... doi:10.1186/1556-276X-6-481 Cite this article as: Fang et al.: Mechanical characterization of nanoindented graphene via molecular dynamics simulations Nanoscale Research Letters 2011 6:481 Submit ... pile ups and corrugations of graphene were observed Strong adhesion causes topological defects and vacancies The average contact stiffnesses of the graphene at temperature...

Ngày tải lên: 21/06/2014, 01:20

... movement, and cutting forces during the cutting processes of no-wear, adherence, plowing, and cutting regimes; Komanduri et al [5–7] carried out MD simulations of nanometric cutting of single-crystal ... the start of the cutting Then the cutting forces tend to remain steady during the rest of the cutting process The formation of dislocations results in the releas...

Ngày tải lên: 22/06/2014, 01:20

... this planning the present monograph is entitled "The Science and Technology of Carbon Nanotubes" as the successive version of ref for the benefit of actual and potential researchers of these materials ... The Science and Technology of Carbon Nanotubes The Science and Technology of Carbon Nanotubes Edited by Kazuyoshi Tanaka Kyoto Universit...

Ngày tải lên: 05/03/2014, 17:20

... various systems comprised 3899 and 4516 SPC molecules for the agonist and the antagonist in water, respectively, and 817 and 927 Me2SO molecules for the agonist and the antagonist, respectively, corresponding ... the binding and affinity for I-Au because of occupation of the P1 pocket Recent thermodynamic and kinetic studies of the binding of TCRs...

Ngày tải lên: 07/03/2014, 16:20

... deciphering the origin of the destabilization and hence, diminution of the melting temperature (Tm) in the former Base stacking in the vicinity of A C mismatch in PNAÆDNA and DNA duplexes Intra strand ... stacking, fluctuating nature of the hydrogen bond and water organization in the vicinity of the mismatch might be the contributing factors for the...

Ngày tải lên: 07/03/2014, 21:20

... a mixture of graphitic carbon and SiC nanowires was formed because of both the carbonization of the nanowires and the fast carbon deposition to form the carbon- like structure Conclusions In summary, ... tube-like carbon shell structure and a carbonization e€ect for the transformation of Si NWs to SiC nanowires At a relatively low substrate temperature ($900°C), the...

Ngày tải lên: 16/03/2014, 15:04

... Multi-step purification of carbon nanotubes Carbon 2002;40(1):81–5 Ikazaki F, Ohshima S, Uchida K, Kuriki Y, Hayakawa H, Yumura M, et al Chemical purification of carbon nanotubes by use of graphite-intercalation ... decomposition of hydrocarbons Carbon 2000;38(14):2041–5 Montoro LA, Rosolen JM A multi-step treatment to effective purification of single-walled carbon nanot...

Ngày tải lên: 20/03/2014, 13:06

... deformations Mechanical Properties of Carbon Nanotubes 297 Fig HREM images of bent nanotubes under mechanical duress (a) and (b) single kinks in the middle of SWNT with diameters of 0.8 and 1.2 ... 10) nanotubes a pseudogap of the order of 0.1 eV is predicted to open up in the density of states due to the breaking of mirror symmetry in the rope [18] Mechanical...

Ngày tải lên: 24/03/2014, 05:20

... Molecular Dynamics Calculation of Critical Point of Nickel 13 liquid–gas saturation lines (binodes), as will be seen in the next section The peak of the two saturation lines is the critical point, ... can best represent the phase diagram near the critical point compared with other forms of EOS Molecular Dynamics Calculation of Critical Point of Nickel 19...

Ngày tải lên: 06/05/2014, 08:54

... College of Engineering and Technology and the Department of Mechanical Engineering at the University of Nebraska at Lincoln References [1] H H€kkinen, U Landman, Superheating, melting, and a annealing ... sq thermal relaxation time Subscript i index of the atom In this work, MD simulations are conducted to study the thermal and thermomechanical phenomena in laser...

Ngày tải lên: 06/05/2014, 08:54