Molecular Dynamics Study of the Specimen Size and Imperfection Effects on the Failure Responses of Multi-Nanobar Structures

Published on Jan 1, 2010in International Journal for Multiscale Computational Engineering1.508
· DOI :10.1615/INTJMULTCOMPENG.V8.I2.40
Luming Shen25
Estimated H-index: 25
(USYD: University of Sydney),
Zhen Chen80
Estimated H-index: 80
(MU: University of Missouri)
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Abstract
References33
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#1Joseph F. Labuz (MU: University of Missouri)H-Index: 32
#2Zhen Chen (MU: University of Missouri)H-Index: 80
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#1Haimin Yao (Brown University)H-Index: 29
#2Huajian Gao (Brown University)H-Index: 112
Abstract Motivated by the observations that natural materials such as bone, shell, tendon and the attachment system of gecko exhibit multi-scale hierarchical structures, this paper aims to develop a better understanding of the effects of structural hierarchy on flaw insensibility of materials from the viewpoint of multi-scale cohesive laws. We consider two idealized, self-similar models of hierarchical materials, one mimicking gecko’s attachment system and the other mimicking the mineral–protein...
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#1Henk Verweij (OSU: Ohio State University)H-Index: 56
#2Melissa C. Schillo (OSU: Ohio State University)H-Index: 1
Last. Ju Li (OSU: Ohio State University)H-Index: 115
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The May 19, 2006 issue of Science included a paper by Holt et al.1 on “Fast Mass Transport Through Sub-2-Nanometer Carbon Nanotubes”. The paper was also featured on the cover, showing methane molecules translating inside a carbon nanotube (CNT). The authors explained how they prepared 2–6-μm thin membranes consisting of double-walled carbon nanotubes (DWNTs) all aligned perpendicular to the apparent membrane surface. These tubes are open at both ends and the space between the tubes is filled wit...
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#1Theodor Ackbarow (MIT: Massachusetts Institute of Technology)H-Index: 10
#2Xuefeng Chen (MIT: Massachusetts Institute of Technology)H-Index: 1
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The fundamental fracture mechanisms of biological protein materials remain largely unknown, in part, because of a lack of understanding of how individual protein building blocks respond to mechanical load. For instance, it remains controversial whether the free energy landscape of the unfolding behavior of proteins consists of multiple, discrete transition states or the location of the transition state changes continuously with the pulling velocity. This lack in understanding has thus far preven...
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#1Sulin Zhang (UA: University of Arkansas)H-Index: 55
#2Roopam Khare (NU: Northwestern University)H-Index: 8
Last. Ted Belytschko (NU: Northwestern University)H-Index: 150
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We present a multiscale method that couples atomistic models with continuum mechanics. The method is based on an overlapping domain-decomposition scheme. Constraints are imposed by a Lagrange multiplier method to enforce displacement compatibility in the overlapping subdomain in which atomistic and continuum representations overlap. An efficient version of the method is developed for cases where the continuum can be modelled as a linear elastic material. An iterative scheme is utilized to optimi...
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#1Chun Li (CAS: Chinese Academy of Sciences)H-Index: 34
#2Guojia Fang (CAS: Chinese Academy of Sciences)H-Index: 9
Last. Xingzhong Zhao (WHU: Wuhan University)H-Index: 14
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The field emission (FE) properties of carbon nanotube (CNT) bundle arrays grown on vertically self-aligned ZnO nanorods (ZNRs) are reported. The ZNRs were first synthesized on ZnO-seed-coated Si substrate by the vapour phase transport method, and then the radically grown CNTs were grown directly on the surface of the ZNRs from ethanol flames. The CNT/ZNR composite showed a turn-on field of 1.5?V??m?1 (at 0.1??A?cm?2), a threshold field of 4.5?V??m?1 (at 1?mA?cm?2) and a stable emission current w...
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#1M. UplaznikH-Index: 4
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Longitudinal resistivity measurements on single Mo6S9−xIx (x = 4.5, 6 and 7) molecular nanowire bundles ranging in diameter from d = 7 nm to 1 µm are performed to investigate the longitudinal transport properties of individual bundles. Different contacting methods are used to study diverse nanocircuit manufacturing technologies that can be used for interconnects based on Mo6S9−xIx. The measurements show ubiquitously linear I–V characteristics with Pd, Au, Ag and Ti contact metals. The highest ro...
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#1Haimin Yao (MPG: Max Planck Society)H-Index: 29
#2Huajian Gao (MPG: Max Planck Society)H-Index: 112
Gecko and many insects have evolved specialized adhesive tissues with bottom–up designed (from nanoscale and up) hierarchical structures that allow them to maneuver on vertical walls and ceilings. The adhesion mechanisms of gecko must be robust enough to function on unknown rough surfaces and also easily releasable upon animal movement. How does nature design such macroscopic sized robust and releasable adhesion devices? How can an adhesion system designed for robust attachment simultaneously al...
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#1Pedro C. AndiaH-Index: 4
#2Francesco CostanzoH-Index: 24
Last. Gary L. Gray (PSU: Pennsylvania State University)H-Index: 11
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This paper presents the numerical implementation of a Lagrangian-based approach for the determination of the stress–strain behaviour of solids via molecular dynamics (MD). This approach is based on continuum homogenization and it offers a framework in which the notions of effective stress and effective deformation for a particle system can be said to have the same meaning that they have in a continuum context. Since the effective stress response of the system is not based on the notion of virial...
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#1Seyed Aliakbar Mirmohammadi (USYD: University of Sydney)H-Index: 8
#2Luming Shen (USYD: University of Sydney)H-Index: 25
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Abstract This paper presents a new data processing method for calculating more reliable thermophysical properties of liquid using Green-Kubo Method based molecular dynamics (MD) simulation. In this study, MD simulations of water are first performed using three common water models. A new approach for analysing the simulation data is then developed to obtain statistically meaningful thermophysical properties such as thermal conductivity and viscosity. It is demonstrated that for a given desired st...
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#1Zhen Chen (MU: University of Missouri)H-Index: 80
#2Shan Jiang (DUT: Dalian University of Technology)H-Index: 13
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Based on the available experimental and computational capabilities, a phenomenological approach has been proposed to formulate a hypersurface in both spatial and temporal domains to predict combined specimen size and loading rate effects on the material properties [1–2]. A systematic investigation is being performed to understand the combined size, rate and thermal effects on the properties and deformation patterns of representative materials with different nanostructures and under various types...
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The need for modeling and simulating multiscale structural responses to extreme loading conditions has brought about the challenging tasks of bridging different spatial and temporal scales within a unified framework. Based on the available experimental and computational capabilities, a simple approach has been proposed to formulate a hyper-surface in both spatial and temporal domains to predict combined specimen size and loading rate effects on the material properties. A systematic investigation...
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#1Zhen ChenH-Index: 80
#2Shan JiangH-Index: 13
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Molecular dynamics simulations are performed to study size effects on the impact response of copper nanobeam targets subjected to impacts by copper nanobeam flyers with different impact velocities. It is found that the Hugoniot response is size-dependent, while the aspect ratio – that is, the ratio of flyer and target nanobeam heights – has a small effect. It is also observed that the propagation speed of a disordering front generated at the impact surface is close to the shock wave speed initia...
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