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Graphene nanowiggles (GNW) are graphene-based nanostructures obtained by making alternated regular cuts in pristine graphene nanoribbons. GNW were recently synthesized and it was demonstrated that they exhibit tunable electronic and…

Materials Science · Physics 2017-02-06 Rafael A. Bizao , Tiago Botari , Eric Perim , Nicola M. Pugno , Douglas S. Galvao

The intrinsic mechanical strength of single-walled carbon nanotubes (SWNTs) within the diameter range of 0.3-0.8 nm has been studied based on ab initio density functional theory calculations. In contrast to predicting "smaller is stronger…

Materials Science · Physics 2016-01-06 Nguyen Tuan Hung , Do Van Truong , Vuong Van Thanh , Riichiro Saito

The mechanical properties of Cadmium telluride (CdTe) nanowire have become focus of interest now-a-days due to its promising application in opto-electro-mechanical nanodevices. Inthis study, molecular dynamics simulations have been used to…

Materials Science · Physics 2019-03-04 Md. Adnan Mahathir Munshi , Sourajit Majumder , Mohammad Motalab , Sourav Saha

Hexagonal [0001] nonpassivated ZnO nanowires are studied with density functional calculations. The band gap and Young's modulus in nanowires which are larger than those in bulk ZnO increase along with the decrease of the radius of…

Materials Science · Physics 2007-05-23 H. J. Xiang , Jinlong Yang , J. G. Hou , Qingshi Zhu

The increasing availability of a variety of two-dimensional materials has generated enormous growth in the field of nanoengineering and nanomechanics. Recent developments in thin film synthesis have enabled the fabrication of freestanding…

Applied Physics · Physics 2021-08-25 Varun Harbola , Ruijuan Xu , Samuel Crossley , Prastuti Singh , Harold Y. Hwang

Taper-free InP twinning superlattice (TSL) nanowires with an average twin spacing of ~ 13 nm were grown along the zinc-blende close-packed [111] direction using metalorganic vapor phase epitaxy. The mechanical properties and fracture…

We used molecular dynamics (MD) simulations to investigate the mechanical properties of cubic zinc blende (ZB) Si0.5Ge0.5 alloy nanowire (NW). Tersoff potential is employed to elucidate the effect of nanowire size, crystal orientations, and…

Materials Science · Physics 2020-12-18 Md. Habibur Rahman , Emdadul Haque Chowdhury , Md Mahbubul Islam

The strain energies in straight and bent single-walled carbon nanotubes (SWNTs) are calculated by taking account of the total energy of all the occupied band electrons. The obtained results are in good agreement with previous theoretical…

Mesoscale and Nanoscale Physics · Physics 2016-08-31 Zhou Xin , Zhou Jianjun , Ou-Yang Zhong-can

The atomic structure and elastic properties of Y-silicon nanowire junctions of fork- and bough-types were theoretically studied and effective Young modulus were calculated using the Tersoff interatomic potential. In the final stages of…

The Order (N) Tight Binding Molecular Dynamics (TBMD) algorithms applied to simulate the tensile elongations of short (2-2.5 nm) armchair and zigzag Single Walled Carbon Nanotubes (SWCNTs) without bond breakings or defect formation.…

Materials Science · Physics 2013-01-15 Gulay Dereli , Banu Sungu Misirlioglu , Onder Eyecioglu , Necati Vardar

A scanning tunneling microscope (STM) supplemented with a force sensor is used to study the mechanical properties of a novel metallic nanostructure: a freely suspended chain of single gold atoms. We find that the bond strength of the…

Condensed Matter · Physics 2009-11-07 G. Rubio-Bollinger , S. R. Bahn , N. Agrait , K. W. Jacobsen , S. Vieira

Understanding failure in nanomaterials is critical for the design of reliable structural materials and small-scale devices that have components or microstructural elements at the nanometer length scale. No consensus exists on the effect of…

Materials Science · Physics 2013-07-12 X. Wendy Gu , Zhaoxuan Wu , Yong-Wei Zhang , David J. Srolovitz , Julia R. Greer

The mechanical properties of Cadmium Selenide (CdSe) nanowire is an emerging issue due to its application in semiconductor and optoelectronics industries. In this paper, we conducted molecular dynamics (MD) simulations to investigate the…

Materials Science · Physics 2020-12-29 Emdadul Haque Chowdhury , Md. Habibur Rahman , Md Mahbubul Islam

The failure stresses and strains of nanotubes given by theoretical or numerical predictions are much higher than observed in experiments. We show that defects can explain part of this discrepancy: for an n-atom defect with 2<=n<=8, the…

Atomic and Molecular Clusters · Physics 2007-05-23 T. Belytschko , S. P. Xiao , R. Ruoff

Young's modulus determines the mechanical loads required to elastically stretch a material, and also, the loads required to bend it, given that bending stretches one surface while compressing the opposite one. Flexoelectric materials have…

The mechanical properties of nanostructured wires obtained by co-assembly of iron oxide particles are studied. The intrinsic magnetic properties of the wires are used to induce and quantify the bending of the one-dimensional objects. From…

Soft Condensed Matter · Physics 2013-08-06 L. Chevry , J. -F. Berret

This paper examines the effect of temperature on the structural stability and mechanical properties of 20 layered (10,10) single walled carbon nanotubes (SWCNTs) under tensile loading using an O(N) tight binding molecular dynamics (TBMD)…

Materials Science · Physics 2009-11-13 G. Dereli , B. Sungu

Nano- and micromagnetic materials have been extensively employed in micro-functional devices. However, measuring small-scale mechanical and magnetomechanical properties is challenging, which restricts the design of new products and the…

Materials Science · Physics 2014-04-04 Hao Zhou , Yongmao Pei , Daining Fang

Fracture of highly stretched materials challenges our view of how things break. We directly visualize rupture of tough double-network (DN) gels at >50\% strain. During fracture, crack tip shapes obey a $x\sim y^{1.6}$ power-law, in contrast…

Soft Condensed Matter · Physics 2018-10-03 Itamar Kolvin , John M. Kolinski , Jian Ping Gong , Jay Fineberg

Using molecular dynamics (MD) simulations, we explore the structural stability and mechanical integrity of phosphorene nanotubes (PNTs), where the intrinsic strain in the tubular PNT structure plays an important role. It is proposed that…

Materials Science · Physics 2016-05-04 Xiangbiao Liao , Feng Hao , Hang Xiao , Xi Chen
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