Alternating Starvation Of Dislocations During Plastic Yielding In Metallic Nanowires

Using molecular dynamics simulations, we show that the mechanical deformation behaviors of single-crystalline nickel nanowires are quite different from their bulk counterparts. Correlation between the obtained stress-strain curves and the visualized defect evolution during deformation processes clearly demonstrates that a sequence of complex dislocation slip events results in a state of dislocation starvation, involving the nucleation and propagation of dislocations until they finally escape from the wires, so that the wires deform elastically until new dislocations are generated. (C) 2008 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved.

Grain Boundary Effects On Plastic Deformation And Fracture Mechanisms In Cu Nanowires: Molecular Dynamics Simulations

Metallic nanowires have many attractive properties such as ultra-high yield strength and large tensile elongation. However, recent experiments show that metallic nanowires often contain grain boundaries, which are expected to significantly affect mechanical properties. By using molecular dynamics simulations, here, we demonstrate that polycrystalline Cu nanowires exhibit tensile deformation behavior distinctly different from their single-crystal counterparts. A significantly lowered yield strength was observed as a result of dislocation emission from grain boundaries rather than from free surfaces, despite of the very high surface to volume ratio. Necking starts from the grain boundary followed by fracture, resulting in reduced tensile ductility. The high stresses found in the grain boundary region clearly play a dominant role in controlling both inelastic deformation and fracture processes in nanoscale objects. These findings have implications for designing stronger and more ductile structures and devices on nanoscale.

Sensitivity Analysis Of The Dimensionless Parameters In Scaling A Polymer Flooding Reservoir

A set of scaling criteria of a polymer flooding reservoir is derived from the governing equations, which involve gravity and capillary force, compressibility of water, oil, and rock, non-Newtonian behavior of the polymer solution, absorption, dispersion, and diffusion, etc. A numerical approach to quantify the dominance degree of each dimensionless parameter is proposed. With this approach, the sensitivity factor of each dimensionless parameter is evaluated. The results show that in polymer flooding, the order of the sensitivity factor ranges from 10(-5) to 10(0) and the dominant dimensionless parameters are generally the ratio of the oil permeability under the condition of the irreducible water saturation to water permeability under the condition of residual oil saturation, density, and viscosity ratios between water and oil, the reduced initial oleic phase saturation and the shear rate exponent of the polymer solution. It is also revealed that the dominant dimensionless parameters may be different from case to case. The effect of some physical variables, such as oil viscosity, injection rate, and permeability, on the dominance degree of the dimensionless parameters is analyzed and the dominant ones are determined for different cases.

Size effects on the melting of nickel nanowires: a molecular dynamics study

The melting process of nickel nanowires are simulated by using molecular dynamics with the quantum Sutten-Chen many-body force field. The wires studied were approximately cylindrical in cross-section and periodic boundary conditions were applied along their length; the atoms were arranged initially in a face-centred cubic structure with the [0 0 1] direction parallel to the long axis of the wire. The size effects of the nanowires on the melting temperatures are investigated. We find that for the nanoscale regime, the melting temperatures of Ni nanowires are much lower than that of the bulk and are linear with the reciprocal of the diameter of the nanowire. When a nanowire is heated up above the melting temperature, the neck of the nanowire begins to arise and the diameter of neck decreases rapidly with the equilibrated running time. Finally, the breaking of nanowire arises, which leads to the formation of the spherical clusters. (C) 2004 Elsevier B.V. All rights reserved.

Microstructure, deformation and failure of polymer bonded explosives

Polymer bonded explosives (PBXs) are highly particle filled composite materials comprised of explosive crystals and a polymeric binder (ca. 5-10% by weight). The microstructure and mechanical properties of two pressed PBXs with different binder systems were studied in this paper. The initial microstructure of the pressed PBXs and its evolution under different mechanical aggressions were studied, including quasi-static tension and compression, ultrasonic wave stressing and long-pulse low-velocity impact. Real-time microscopic observation of the PBXs under tension was conducted by using a scanning electron microscope equipped with a loading stage. The mechanical properties under tensile creep, quasi-static tension and compression were studied. The Brazilian test, or diametrical compression, was used to study the tensile properties. The influences of pressing pressures and temperatures, and strain rates on the mechanical properties of PBXs were analyzed. The mesoscale damage modes in initial pressed samples and the samples insulted by different mechanical aggressions, and the corresponding failure mechanisms of the PBXs under different loading conditions were analyzed.

Deformation mechanisms of face-centered-cubic metal nanowires with twin boundaries

This letter addresses the issue of deformation mechanisms and mechanical tensile behavior of the twinned metal nanowires using atomistic simulations. Free surfaces are always the preferential dislocation nucleation sites in the initial inelastic deformation stage, while with further plastic deformation, twin boundary interfaces will act as sources of dislocations with the assistance of the newly formed defects. The smaller the twin boundary spacing, the higher the yielding stresses of the twinned nanowires. Twin boundaries, which serve both as obstacles to dislocation motion and dislocation sources, can lead to hardening effects and contribute to the tensile ductility. This work illustrates that the mechanical properties of metal nanowires could be controlled by tailoring internal growth twin structures. (c) 2007 American Institute of Physics.

Tensile and compressive deformation of a short-glass-fiber-reinforced liquid-crystalline polymer

Results of tensile and compression tests on a short-glass-fiber-reinforced thermotropic liquid crystalline polymer are presented. The effect of strain rate on the compression stress-strain characteristics has been investigated over a wide range of strain rates epsilon between 10(-4) and 350 s-1. The low-strain-rate tests were conducted using a screw-driven universal tensile tester, while the high-strain-rate tests were carried out using the split Hopkinson pressure bar technique. The compression modulus was shown to vary with log10 (epsilon) in a bilinear manner. The compression modulus is insensitive to strain rate in the low-strain-rate regime (epsilon = 10(-4) - 10(-2) s-1), but it increases more rapidly with epsilon at higher epsilon. The compression strength changes linearly with log10 (epsilon) over the entire strain-rate range. The fracture surfaces were examined by scanning electron microscopy.

Numerical Solution for Polymer Transient Flows in a Circle Bounded Composite Formation

A new numerical model for transient flows of polymer solution in a circular bounded composite formation is presented in this paper. Typical curves of the wellbore transient pressure are yielded by FEM. The effects of non-Newtonian power-law index, mobility and boundary distance have been considered. It is found that for the mobility ratio larger than 1, which is favorable for the polymer flooding, the pressure derivative curve in log-log form rises up without any hollow. On the other hand, if the pressure derivative curve has a hollow and then is raised up, we say that the polymer flooding fails. Finally, the new model has been extended to more complicated boundary case.

Atomistic Simulation On Size-Dependent Yield Strength And Defects Evolution Of Metal Nanowires

A simple derivation based on continuum mechanics is given, which shows the surface stress is critical for yield strength at ultra-small scales. Molecular dynamics (MD) simulations with modified embedded atom method (MEAM) are employed to investigate the mechanical behaviors of single-crystalline metal nanowires under tensile loading. The calculated yield strengths increasing with the decrease of the cross-sectional area of the nanowires are in accordance with the theoretical prediction. Reorientation induced by stacking faults is observed at the nanowire edge. In addition. the mechanism of yielding is discussed in details based on the snapshots of defects evolution. The nanowires in different crystallographic orientations behave differently in stretching deformation. This study on the plastic properties of metal nanowires will be helpful to further understanding of the mechanical properties of nanomaterials. (C) 2009 Elsevier B.V. All rights reserved.

Shape effects on the yield stress and deformation of silicon nanowires: A molecular dynamics simulation

The tension and compression of single-crystalline silicon nanowires (SiNWs) with different cross-sectional shapes are studied systematically using molecular dynamics simulation. The shape effects on the yield stresses are characterized. For the same surface to volume ratio, the circular cross-sectional SiNWs are stronger than the square cross-sectional ones under tensile loading, but reverse happens in compressive loading. With the atoms colored by least-squares atomic local shear strain, the deformation processes reveal that the failure modes of incipient yielding are dependent on the loading directions. The SiNWs under tensile loading slip in {111} surfaces, while the compressive loading leads the SiNWs to slip in the {110} surfaces. The present results are expected to contribute to the design of the silicon devices in nanosystems.

High-Strength Composite Fibers: Realizing True Potential of Carbon Nanotubes in Polymer Matrix through Continuous Reticulate Architecture and Molecular Level Couplings

Carbon nanotubes have unprecedented mechanical properties as defect-free nanoscale building blocks, but their potential has not been fully realized in composite materials due to weakness at the interfaces. Here we demonstrate that through load-transfer-favored three-dimensional architecture and molecular level couplings with polymer chains, true potential of CNTs can be realized in composites as Initially envisioned. Composite fibers with reticulate nanotube architectures show order of magnitude improvement in strength compared to randomly dispersed short CNT reinforced composites reported before. The molecular level couplings between nanotubes and polymer chains results in drastic differences in the properties of thermoset and thermoplastic composite fibers, which indicate that conventional macroscopic composite theory falls to explain the overall hybrid behavior at nanoscale.

ZnSe nanowires grown on the crystal surface by femtosecond laser ablation in air

Uniform ZnSe nanowires are observed on the ablation crater on ZnSe crystal surface irradiated by femtosecond lasers in air, while other parts of the sample surface are not polluted. The nanowire growth rate is about 5 mu m/s, it is higher than that fabricated by chemical vapor deposition method by a factor of 10(4). The nanowire length and diameter can be controlled by varying laser pulse energy and pulse number. The formation mechanism is studied and found to be self-catalyzed vapor-liquid-solid process. (c) 2006 American Institute of Physics.

Femtosecond laser-induced ZnSe nanowires on the surface of a ZnSe wafer in water

We present a simple route for ZnSe nanowire growth in the ablation crater on a ZnSe crystal surface. The crystal wafer, which was horizontally dipped in pure water, was irradiated by femtosecond laser pulses. No furnace, vacuum chamber or any metal catalyst were used in this experiment. The size of the nanowires is about 1-3 mu m long and 50-150 nm in diameter. The growth rate is 1-3 mu m/s, which is much higher than that achieved with molecular-beam epitaxy and chemical vapor deposition methods. Our discovery reveals a rapid and simple way to grow nanowires on designed micro-patterns, which may have potential applications in microscopic optoelectronics. (C) 2007 Elsevier Ltd. All rights reserved.