Effect of Interfaces in the Work Hardening of Nanoscale Multilayer Metallic Composites During Nanoindentation: A Molecular Dynamics Investigation

2013 ◽  
Vol 135 (2) ◽  
Author(s):  
S. Shao ◽  
H. M. Zbib ◽  
I. Mastorakos ◽  
D. F. Bahr
Keyword(s):  
Molecular Dynamics ◽  
Plastic Deformation ◽  
Strain Hardening ◽  
Power Law ◽  
Indentation Depth ◽  
Constitutive Law ◽  
Atomistic Simulations ◽  
Depth Data ◽  
Strain Data ◽  
Metallic Composites

To study the strain hardening in nanoscale multilayer metallic (NMM) composites, atomistic simulations of nanoindentation are performed on CuNi, CuNb, and CuNiNb multilayers. The load-depth data were converted to hardness-strain data that were then modeled using power law. The plastic deformation of the multilayers is closely examined. It is found that the strain hardening in the incoherent CuNb and NiNb interfaces is stronger than the coherent CuNi interface. The hardening parameters are discovered to be closely related to the density of the dislocations in the incoherent interfaces, which in turn is found to have power law dependence on two length scales: indentation depth and layer thickness. Based on these results, a constitutive law for extracting strain hardening in NMM from nanoindentation data is developed.

The Relation of the Vickers Hardness With the Loading Stiffness of Instrumented Vickers Indentation of Metal Substrates

2010 ◽  
Vol 132 (3) ◽  
Author(s):  
E. A. Baxevani ◽  
A. E. Giannakopoulos
Keyword(s):  
Plastic Deformation ◽  
Strain Hardening ◽  
Power Law ◽  
Vickers Hardness ◽  
Material Properties ◽  
Vickers Indentation ◽  
Metal Substrates ◽  
Vickers Indenter ◽  
Indentation Imprint

The present paper presents a relation between the vickers hardness HV and the loading stiffness C of instrumented vickers indentation of metal substrates. The relation is based on the fact that the nonaxisymmetry of the plastic deformation of the vickers indenter leaves the corners of the indentation imprint at the surface of metal substrates after complete unloading. This relation can transform available HV data for metals to C data. It is also shown that the strain hardening details are important in the estimation of material properties and investigators should be cautions when using power-law strain hardening in all cases.

Influence of Assumed Strain Hardening Relation on Plastic Stress-Strain Response Identification From Conical Indentation

2020 ◽  
Vol 142 (3) ◽  
Author(s):  
Yupeng Zhang ◽  
Alan Needleman
Keyword(s):  
Strain Hardening ◽  
Power Law ◽  
Indentation Depth ◽  
Uniaxial Stress ◽  
Strain Response ◽  
Stress Strain ◽  
Indentation Force ◽  
Engineering Materials ◽  
Plastic Stress ◽  
Conical Indentation

Abstract Instrumented indentation tests provide an attractive means for obtaining data to characterize the plastic response of engineering materials. One difficulty in doing this is that the relation between the measured indentation force versus indentation depth response and the plastic stress-strain response is not unique. Materials with very different uniaxial stress-strain curves can give essentially identical curves of indentation force versus indentation depth. Zhang et al. (2019, “Identification of Plastic Properties From Conical Indentation Using a Bayesian-Type Statistical Approach,” ASME J. Appl. Mech., 86, p. 011002) numerically generated “experimental” conical indentation data and showed that using surface profile data and indentation force versus indentation depth data together with a Bayesian-type statistical analysis permitted the uniaxial plastic stress-strain response to be identified even for materials with indistinguishable indentation force versus indentation depth curves. The same form of hardening relation was used in the identification process as was used to generate the “experimental” data. Generally, a variety of power law expressions have been used to characterize the uniaxial plastic stress-strain response of engineering materials, and, of course, the form that gives the best fit for a material is not known a priori. Here, we use the same Bayesian statistics-based analysis but consider four characterizations of the plastic uniaxial stress-strain response and show that the identification of the hardening relation parameters and the associated uniaxial stress-strain response is not very sensitive to the form of the power law strain hardening relation chosen even with data that have significant noise.

scholarly journals Fully Atomistic Molecular Dynamics Computation of Physico-Mechanical Properties of PB, PS, and SBS

Nanomaterials ◽  
2019 ◽  
Vol 9 (8) ◽  
pp. 1088 ◽  
Author(s):  
Yang Kang ◽  
Dunhong Zhou ◽  
Qiang Wu ◽  
Fuyan Duan ◽  
Rufang Yao ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Strain Rate ◽  
Strain Hardening ◽  
Md Simulation ◽  
Md Simulations ◽  
Strain Rates ◽  
Young’S Moduli ◽  
Plastic Modulus ◽  
Styrene Butadiene ◽  
Butadiene Styrene

The physical properties—including density, glass transition temperature (Tg), and tensile properties—of polybutadiene (PB), polystyrene (PS) and poly (styrene-butadiene-styrene: SBS) block copolymer were predicted by using atomistic molecular dynamics (MD) simulation. At 100 K, for PB and SBS under uniaxial tension with strain rate ε ˙ = 1010 s−1 and 109 s−1, their stress–strain curves had four features, i.e., elastic, yield, softening, and strain hardening. At 300 K, the tensile curves of the three polymers with strain rates between 108 s−1 and 1010 s−1 exhibited strain hardening following elastic regime. The values of Young’s moduli of the copolymers were independent of strain rate. The plastic modulus of PS was independent of strain rate, but the Young’s moduli of PB and SBS depended on strain rate under the same conditions. After extrapolating the Young’s moduli of PB and SBS at strain rates of 0.01–1 s−1 by the linearized Eyring-like model, the predicted results by MD simulations were in accordance well with experimental results, which demonstrate that MD results are feasible for design of new materials.

Atomistic Simulations of Nanoindentation on Cu (111) with a Void

2008 ◽  
Vol 33-37 ◽  
pp. 919-924
Author(s):  
Chung Ming Tan ◽  
Yeau Ren Jeng ◽  
Yung Chuan Chiou
Keyword(s):  
Finite Element ◽  
Stress Concentration ◽  
Indentation Depth ◽  
Equilibrium Configuration ◽  
Complete System ◽  
Internal Surface ◽  
Atomistic Simulations ◽  
Element Formulation ◽  
Variable Parameters ◽  
Deformed State

This paper employs static atomistic simulations to investigate the effect of a void on the nanoindentation of Cu(111). The simulations minimize the potential energy of the complete system via finite element formulation to identify the equilibrium configuration of any deformed state. The size and depth of the void are treated as two variable parameters. The numerical results reveal that the void disappears when the indentation depth is sufficiently large. A stress concentration is observed at the internal surface of the void in all simulations cases. The results indicate that the presence of a void has a significant influence on the nanohardness extracted from the nanoindentation tests.

scholarly journals Molecular Dynamics Simulation of Crack Propagation in Single-Crystal Aluminum Plate with Central Cracks

2017 ◽  
Vol 2017 ◽  
pp. 1-12 ◽  
Author(s):  
Jun Ding ◽  
Lu-sheng Wang ◽  
Kun Song ◽  
Bo Liu ◽  
Xia Huang
Keyword(s):  
Molecular Dynamics ◽  
Plastic Deformation ◽  
Crack Propagation ◽  
Strain Rate ◽  
Single Crystal ◽  
Crack Length ◽  
Crack Growth ◽  
Plastic Yield ◽  
Model Size ◽  
Dislocation Multiplication

The crack propagation process in single-crystal aluminum plate (SCAP) with central cracks under tensile load was simulated by molecular dynamics method. Further, the effects of model size, crack length, temperature, and strain rate on strength of SCAP and crack growth were comprehensively investigated. The results showed that, with the increase of the model size, crack length, and strain rate, the plastic yield point of SCAP occurred in advance, the limit stress of plastic yield decreased, and the plastic deformability of material increased, but the temperature had less effect and sensitivity on the strength and crack propagation of SCAP. The model size affected the plastic deformation and crack growth of the material. Specifically, at small scale, the plastic deformation and crack propagation in SCAP are mainly affected through dislocation multiplication and slip. However, the plastic deformation and crack propagation are obviously affected by dislocation multiplication and twinning in larger scale.

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.

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