scholarly journals Polycrystalline Ni nanotubes under compression: a molecular dynamics study

2020 ◽  
Vol 10 (1) ◽  
Author(s):  
J. Rojas-Nunez ◽  
S. E. Baltazar ◽  
R. I. Gonzalez ◽  
E. M. Bringa ◽  
S. Allende ◽  
...  
Keyword(s):  
Large Scale ◽  
Mechanical Response ◽  
Nanocrystalline Structure ◽  
Deformation Mode ◽  
Atomistic Simulations ◽  
Material Strength ◽  
Large Strains ◽  
Dislocation Pinning ◽  
Flexible Deformation ◽  
Strength And Plasticity

AbstractMechanical properties of nanomaterials, such as nanowires and nanotubes, are an important feature for the design of novel electromechanical nano-architectures. Since grain boundary structures and surface modifications can be used as a route to modify nanostructured materials, it is of interest to understand how they affect material strength and plasticity. We report large-scale atomistic simulations to determine the mechanical response of nickel nanowires and nanotubes subject to uniaxial compression. Our results suggest that the incorporation of nanocrystalline structure allows completely flexible deformation, in sharp contrast with single crystals. While crystalline structures at high compression are dominated by dislocation pinning and the multiplication of highly localized shear regions, in nanocrystalline systems the dislocation distribution is significantly more homogeneous. Therefore, for large compressions (large strains) coiling instead of bulging is the dominant deformation mode. Additionally, it is observed that nanotubes with only 70% of the nanowire mass but of the same diameter, exhibit similar mechanical behavior up to 0.3 strain. Our results are useful for the design of new flexible and light-weight metamaterials, when highly deformable struts are required.

Strength and interface-constrained plasticity in thin metal films

2003 ◽  
Vol 18 (10) ◽  
pp. 2281-2284 ◽  
Author(s):  
Y-L. Shen
Keyword(s):  
Mechanical Response ◽  
Tensile Loading ◽  
Dislocation Motion ◽  
Metal Films ◽  
Thin Metal ◽  
Confinement Effect ◽  
Atomic Scale ◽  
Atomistic Simulations ◽  
Thin Metal Films ◽  
Strength And Plasticity

This study seeks to provide a mechanistic rationale for the substrate confinement effect on the strength and plasticity of thin metal films. Atomistic simulations of tensile loading of the freestanding and substrate-bonded films were carried out. Particular attention was devoted to correlating the overall mechanical response and the defect mechanisms on the atomic scale. The existence of an interface with the underlying substrate was observed to constrain significantly the dislocation motion in the film. The extent of film strengthening due to the substrate was dictated by the capability of atoms to slide along the interface.

scholarly journals On the effects of membrane viscosity on transient red blood cell dynamics

Soft Matter ◽  
2020 ◽  
Vol 16 (26) ◽  
pp. 6191-6205 ◽  
Author(s):  
Fabio Guglietta ◽  
Marek Behr ◽  
Luca Biferale ◽  
Giacomo Falcucci ◽  
Mauro Sbragaglia
Keyword(s):  
Fluid Dynamics ◽  
Computational Fluid Dynamics ◽  
Blood Cell ◽  
Red Blood Cell ◽  
Blood Circulation ◽  
Hydraulic Properties ◽  
Large Scale ◽  
Mechanical Response ◽  
Cell Dynamics ◽  
Membrane Viscosity

Computational Fluid Dynamics is currently used to design and improve the hydraulic properties of biomedical devices, wherein the large scale blood circulation needs to be simulated by accounting for the mechanical response of RBCs at the mesoscale.

Continuum Description of the Time- and Strain-Dependent Poisson’s Ratio of Ligament Under Finite Deformation

2013 ◽  
Author(s):  
Aaron M. Swedberg ◽  
Shawn P. Reese ◽  
Steve A. Maas ◽  
Benjamin J. Ellis ◽  
Jeffrey A. Weiss
Keyword(s):  
Large Scale ◽  
Mechanical Response ◽  
Tensile Deformation ◽  
Large Strain ◽  
Fiber Direction ◽  
Strain Behavior ◽  
Nonlinear Stress ◽  
Poisson's Ratios ◽  
Poisson’S Ratios ◽  
Strain Dependent

Ligament volumetric behavior controls fluid and thus nutrient movement as well as the mechanical response of the tissue to applied loads. The reported Poisson’s ratios for tendon and ligament subjected to tensile deformation loading along the fiber direction are large, ranging from 0.8 ± 0.3 in rat tail tendon fascicles [1] to 2.98 ± 2.59 in bovine flexor tendon [2]. These Poisson’s ratios are indicative of volume loss and thus fluid exudation [3,4]. We have developed micromechanical finite element models that can reproduce both the characteristic nonlinear stress-strain behavior and large, strain-dependent Poisson’s ratios seen in tendons and ligaments [5], but these models are computationally expensive and unfeasible for large scale, whole joint models. The objectives of this research were to develop an anisotropic, continuum based constitutive model for ligaments and tendons that can describe strain-dependent Poisson’s ratios much larger than the isotropic limit of 0.5. Further, we sought to demonstrate the ability of the model to describe experimental data, and to show that the model can be combined with biphasic theory to describe the rate- and time-dependent behavior of ligament and tendon.

Molecular Dynamics Simulation of a Pullout Test on a Carbon Nanotube in a Polymer Matrix

2014 ◽  
Vol 1700 ◽  
pp. 61-66
Author(s):  
Guttormur Arnar Ingvason ◽  
Virginie Rollin
Keyword(s):  
Molecular Dynamics ◽  
Polymer Matrix ◽  
Large Scale ◽  
Md Simulations ◽  
Dynamics Simulation ◽  
Atomistic Simulations ◽  
Polymer Molecules ◽  
Molecular Potential ◽  
Pull Out ◽  
Walled Carbon Nanotubes

ABSTRACTAdding single walled carbon nanotubes (SWCNT) to a polymer matrix can improve the delamination properties of the composite. Due to the complexity of polymer molecules and the curing process, few 3-D Molecular Dynamics (MD) simulations of a polymer-SWCNT composite have been run. Our model runs on the Large-scale Atomic/Molecular Massively Parallel Simulator (LAMMPS), with a COMPASS (Condensed phase Optimized Molecular Potential for Atomistic Simulations Studies) potential. This potential includes non-bonded interactions, as well as bonds, angles and dihedrals to create a MD model for a SWCNT and EPON 862/DETDA (Diethyltoluenediamine) polymer matrix. Two simulations were performed in order to test the implementation of the COMPASS parameters. The first one was a tensile test on a SWCNT, leading to a Young’s modulus of 1.4 TPa at 300K. The second one was a pull-out test of a SWCNT from an originally uncured EPON 862/DETDA matrix.

Molecular Dynamics Modeling the Nano-Identation of Titanium

2021 ◽  
Author(s):  
Peiqiang Yang ◽  
Xueping Zhang ◽  
Zhenqiang Yao ◽  
Rajiv Shivpuri
Keyword(s):  
Molecular Dynamics ◽  
Plastic Deformation ◽  
Titanium Alloys ◽  
Large Scale ◽  
Mechanical Response ◽  
Pure Titanium ◽  
Dynamics Modeling ◽  
Dynamics Model ◽  
Nano Indentation ◽  
Molecular Dynamics Modeling

Abstract Titanium alloys’ excellent mechanical and physical properties make it the most popular material widely used in aerospace, medical, nuclear and other significant industries. The study of titanium alloys mainly focused on the macroscopic mechanical mechanism. However, very few researches addressed the nanostructure of titanium alloys and its mechanical response in Nano-machining due to the difficulty to perform and characterize nano-machining experiment. Compared with nano-machining, nano-indentation is easier to characterize the microscopic plasticity of titanium alloys. This research presents a nano-indentation molecular dynamics model in titanium to address its microstructure alteration, plastic deformation and other mechanical response at the atomistic scale. Based on the molecular dynamics model, a complete nano-indentation cycle, including the loading and unloading stages, is performed by applying Large-scale Atomic/Molecular Massively Parallel Simulator (LAMMPS). The plastic deformation mechanism of nano-indentation of titanium with a rigid diamond ball tip was studied under different indentation velocities. At the same time, the influence of different environment temperatures on the nano-plastic deformation of titanium is analyzed under the condition of constant indentation velocity. The simulation results show that the Young’s modulus of pure titanium calculated based on nano-indentation is about 110GPa, which is very close to the experimental results. The results also show that the mechanical behavior of titanium can be divided into three stages: elastic stage, yield stage and plastic stage during the nano-indentation process. In addition, indentation speed has influence on phase transitions and nucleation of dislocations in the range of 0.1–1.0 Å/ps.

scholarly journals Simulation of Cyclic Loading on Pipe Elbows Using Advanced Plane-Stress Elastoplasticity Models1

2020 ◽  
Vol 143 (2) ◽  
Author(s):  
Konstantinos Chatziioannou ◽  
Yuner Huang ◽  
Spyros A. Karamanos
Keyword(s):  
Cyclic Loading ◽  
Large Scale ◽  
Mechanical Response ◽  
Low Cycle Fatigue ◽  
Constitutive Relations ◽  
Cyclic Plasticity ◽  
Integration Scheme ◽  
Repeated Loading ◽  
Finite Element Software ◽  
Hardening Models

Abstract This work investigates the response of industrial steel pipe elbows subjected to severe cyclic loading (e.g., seismic or shutdown/startup conditions), associated with the development of significant inelastic strain amplitudes of alternate sign, which may lead to low-cycle fatigue. To model this response, three cyclic-plasticity hardening models are employed for the numerical analysis of large-scale experiments on elbows reported elsewhere. The constitutive relations of the material model follow the context of von Mises cyclic elasto-plasticity, and the hardening models are implemented in a user subroutine, developed by the authors, which employs a robust numerical integration scheme, and is inserted in a general-purpose finite element software. The three hardening models are evaluated in terms of their ability to predict the strain range at critical locations, and in particular, strain accumulation over the load cycles, a phenomenon called “ratcheting.” The overall good comparison between numerical and experimental results demonstrates that the proposed numerical methodology can be used for simulating accurately the mechanical response of pipe elbows under severe inelastic repeated loading. Finally, this paper highlights some limitations of conventional hardening rules in simulating multi-axial material ratcheting.

scholarly journals Atomistic potential for graphene and other sp2 carbon systems

2017 ◽  
Author(s):  
Zacharias G. Fthenakis ◽  
George Kalosakas ◽  
Georgios D. Chatzidakis ◽  
Costas Galiotis ◽  
Konstantinos Papagelis ◽  
...  
Keyword(s):  
Force Field ◽  
Large Scale ◽  
Dft Calculation ◽  
Carbon Materials ◽  
Phonon Dispersion ◽  
Significant Loss ◽  
Atomistic Simulations ◽  
Carbon Structures ◽  
Out Of Plane ◽  
Plane Deformations

<div>We introduce a torsional force field for sp<sup>2</sup> carbon to augment an in-plane atomistic potential of a previous work (Kalosakas et al, J. Appl. Phys. 113, 134307 (2013)) so that it is applicable to out-of-plane deformations of graphene and related carbon materials. The introduced force field is fit to reproduce DFT calculation data of appropriately chosen structures. The aim is to create a force field that is as simple as possible so it can be efficient for large scale atomistic simulations of various sp<sup>2</sup> carbon structures without significant loss of accuracy. We show that the complete proposed potential reproduces characteristic properties of fullerenes and carbon nanotubes. In addition, it reproduces very accurately the out-of-plane ZA and ZO modes of graphene’s phonon dispersion as well as all phonons with frequencies up to 1000 cm<sup>−1</sup>.</div>

scholarly journals COMPRESSION OF ECAPED TITANIUM MICRO-PILLARS FOR TWO PRINCIPAL ORIENTATIONS

2020 ◽  
Vol 27 ◽  
pp. 1-5
Author(s):  
David Vokoun ◽  
Jan Maňák ◽  
Karel Tesař ◽  
Stanislav Habr
Keyword(s):  
Room Temperature ◽  
Focused Ion Beam ◽  
Mechanical Response ◽  
Thermomechanical Processing ◽  
Ion Beam ◽  
Orientation Dependence ◽  
Material Strength ◽  
Angular Pressing ◽  
Macro Scale ◽  
Micro Pillars

The thermomechanical processing by equal-channel angular pressing (ECAP) is used for certain metals and alloys in order to make their structure fine and to increase material strength. In the previous study done at our institute, grade 2 titanium was successfully processed using four consecutive route A passes via a 90 ° ECAP die with high backpressure at room temperature. Orientation dependence of compressive and tensile loading of ECAPed titanium samples was demonstrated at macro-scale. However, scarce attention has been paid so far to the mechanical behavior of ECAPed titanium samples at micro-scale. In the present study, compression experiments on titanium micropillars, fabricated using focused ion beam, are carried out for two main directions in respect to preceding ECAP pressing (insert and extrusion directions). The purpose of this study is to discuss the orientation dependence of mechanical response during compression of the as-ECAPed titanium micro-pillars.

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