scholarly journals Orientation Dependent Mechanical Responses and Plastic Deformation Mechanisms of ZnSe Nano Films under Nanoindentation

Nanomaterials ◽  
2021 ◽  
Vol 11 (11) ◽  
pp. 3014
Author(s):  
Chao Xu ◽  
Futi Liu ◽  
Chunmei Liu ◽  
Pei Wang ◽  
Huaping Liu
Keyword(s):  
Plastic Deformation ◽  
Elastic Recovery ◽  
Structural Evolution ◽  
Atomic Displacement ◽  
Deformation Mechanisms ◽  
Formation Mechanisms ◽  
Plastic Deformations ◽  
Mechanical Responses ◽  
Displacement Vectors ◽  
Dynamics Simulations

Although ZnSe has been widely studied due to its attractive electronic and optoelectronic properties, limited data on its plastic deformations are available. Through molecular dynamics simulations, we have investigated the indentations on the (001), (110), and (111) planes of ZnSe nano films. Our results indicate that the elastic modulus, incipient plasticity, elastic recovery ratio, and the structural evolutions during the indenting process of ZnSe nano films show obvious anisotropy. To analyze the correlation of structural evolution and mechanical responses, the atomic displacement vectors, atomic arrangements, and the dislocations of the indented samples are analyzed. Our simulations revealed that the plastic deformations of the indented ZnSe nano films are dominated by the nucleation and propagation of 1/2<110> type dislocations, and the symmetrically distributed prismatic loops emitted during the indenting process are closely related with the mechanical properties. By studying the evolutions of microstructures, the formation process of the dislocations, as well as the formation mechanisms of the emitted prismatic loops under the indented crystalline planes are discussed. The results presented in this work not only provide an answer for the questions about indentation responses of ZnSe nano films, but also offer insight into its plastic deformation mechanisms.

scholarly journals The Plastic Deformation Mechanisms of hcp Single Crystals with Different Orientations: Molecular Dynamics Simulations

Materials ◽  
2021 ◽  
Vol 14 (4) ◽  
pp. 733
Author(s):  
Zhi-Chao Ma ◽  
Xiao-Zhi Tang ◽  
Yong Mao ◽  
Ya-Fang Guo
Keyword(s):  
Molecular Dynamics ◽  
Plastic Deformation ◽  
Phase Transformation ◽  
Molecular Dynamics Simulations ◽  
Single Crystals ◽  
Deformation Mechanisms ◽  
Shear Stresses ◽  
Affecting Factors ◽  
Fcc Phase ◽  
Dynamics Simulations

The deformation mechanisms of Mg, Zr, and Ti single crystals with different orientations are systematically studied by using molecular dynamics simulations. The affecting factors for the plasticity of hexagonal close-packed (hcp) metals are investigated. The results show that the basal <a> dislocation, prismatic <a> dislocation, and pyramidal <c + a> dislocation are activated in Mg, Zr, and Ti single crystals. The prior slip system is determined by the combined effect of the Schmid factor and the critical resolved shear stresses (CRSS). Twinning plays a crucial role during plastic deformation since basal and prismatic slips are limited. The 101¯2 twinning is popularly observed in Mg, Zr, and Ti due to its low CRSS. The 101¯1 twin appears in Mg and Ti, but not in Zr because of the high CRSS. The stress-induced hcp-fcc phase transformation occurs in Ti, which is achieved by successive glide of Shockley partial dislocations on basal planes. More types of plastic deformation mechanisms (including the cross-slip, double twins, and hcp-fcc phase transformation) are activated in Ti than in Mg and Zr. Multiple deformation mechanisms coordinate with each other, resulting in the higher strength and good ductility of Ti. The simulation results agree well with the related experimental observation.

scholarly journals Twisting of a Pristine α-Fe Nanowire: From Wild Dislocation Avalanches to Mild Local Amorphization

Nanomaterials ◽  
2021 ◽  
Vol 11 (6) ◽  
pp. 1602
Author(s):  
Yang Yang ◽  
Xiangdong Ding ◽  
Jun Sun ◽  
Ekhard K. H. Salje
Keyword(s):  
Plastic Deformation ◽  
Probability Distribution Function ◽  
Power Laws ◽  
Dislocation Nucleation ◽  
Dislocation Dynamics ◽  
Deformation Mechanisms ◽  
Strongly Correlated ◽  
Power Law Distribution ◽  
Screw Dislocations ◽  
Dynamics Simulations

The torsion of pristine α-Fe nanowires was studied by molecular dynamics simulations. Torsion-induced plastic deformation in pristine nanowires is divided into two regimes. Under weak torsion, plastic deformation leads to dislocation nucleation and propagation. Twisting-induced dislocations are mainly 12<111> screw dislocations in a <112>-oriented nanowire. The nucleation and propagation of these dislocations were found to form avalanches which generate the emission of energy jerks. Their probability distribution function (PDF) showed power laws with mixing between different energy exponents. The mixing stemmed from simultaneous axial and radial dislocation movements. The power-law distribution indicated strongly correlated ‘wild’ dislocation dynamics. At the end of this regime, the dislocation pattern was frozen, and further twisting of the nanowire did not change the dislocation pattern. Instead, it induced local amorphization at the grip points at the ends of the sample. This “melting” generated highly dampened, mild avalanches. We compared the deformation mechanisms of twinned and pristine α-Fe nanowires under torsion.

A comparative study of plastic deformation mechanisms in room-temperature and cryogenically deformed magnesium alloy AZ31

2021 ◽  
Vol 807 ◽  
pp. 140821
Author(s):  
Kai Zhang ◽  
Zhutao Shao ◽  
Christopher S. Daniel ◽  
Mark Turski ◽  
Catalin Pruncu ◽  
...  
Keyword(s):  
Plastic Deformation ◽  
Magnesium Alloy ◽  
Comparative Study ◽  
Room Temperature ◽  
Deformation Mechanisms ◽  
Alloy Az31 ◽  
Magnesium Alloy Az31

scholarly journals Thermal Conductivity of Cage-Like Structures

2011 ◽  
Author(s):  
Mona Zebarjadi ◽  
Keivan Esfarjani ◽  
Gang Chen
Keyword(s):  
Thermal Conductivity ◽  
Atomic Displacement ◽  
Rectangular Lattice ◽  
Local Minima ◽  
Atomic Displacement Parameter ◽  
Band Dispersion ◽  
Dynamics Simulations ◽  
Filler Mass ◽  
The Right ◽  
Double Well Potential

A two dimensional toy model is developed to study thermal transport in cage like structures such a skutterudites and clathrates. The model consists of host atoms on a rectangular lattice with fillers in the center of each rectangle. The thermal conductivity is calculated by using Green-Kubo equilibrium molecular dynamics simulations. It is generally believed that the smaller and the heavier the filler, the lower is the thermal conductivity. We show that the thermal conductivity decreases with atomic displacement parameter while it has local minima versus filler mass. Our study shows that it is very important to include the correct band dispersion to get the right features of the thermal conductivity. We show that by having a double well potential one can further reduce the thermal conductivity.

Investigations on Microstructure Evolution and Deformation Behavior of Aged and Ultrafine Grained Al-Zn-Mg Alloy Subjected to Severe Plastic Deformation

2010 ◽  
Vol 667-669 ◽  
pp. 253-258
Author(s):  
Wei Ping Hu ◽  
Si Yuan Zhang ◽  
Xiao Yu He ◽  
Zhen Yang Liu ◽  
Rolf Berghammer ◽  
...  
Keyword(s):  
Electron Microscopy ◽  
Mechanical Properties ◽  
Plastic Deformation ◽  
Grain Size ◽  
Severe Plastic Deformation ◽  
Microstructure Evolution ◽  
Deformation Behavior ◽  
Deformation Mechanisms ◽  
Mg Alloy ◽  
Ultrafine Grained

An aged Al-5Zn-1.6Mg alloy with fine η' precipitates was grain refined to ~100 nm grain size by severe plastic deformation (SPD). Microstructure evolution during SPD and mechanical behaviour after SPD of the alloy were characterized by electron microscopy and tensile, compression as well as nanoindentation tests. The influence of η' precipitates on microstructure and mechanical properties of ultrafine grained Al-Zn-Mg alloy is discussed with respect to their effect on dislocation configurations and deformation mechanisms during processing of the alloy.

Reverse Plasticity in Nanoindentation

2007 ◽  
Vol 1049 ◽  
Author(s):  
Yongjiang Huang ◽  
Nursiani Indah Tjahyono ◽  
Jun Shen ◽  
Yu Lung Chiu
Keyword(s):  
Mechanical Properties ◽  
Plastic Deformation ◽  
Glass Transition ◽  
Single Crystal ◽  
Metallic Glasses ◽  
Deformation Mechanisms ◽  
Glass Transition Temperatures ◽  
Loading Rates ◽  
Nanoindentation Experiment ◽  
Properties Of Materials

AbstractThis paper summarises our recent cyclic nanoindentation experiment studies on a range of materials including single crystal and nanocrystalline copper, single crystal aluminium and bulk metallic glasses with different glass transition temperatures. The unloading and reloading processes of the nanoindentation curves have been analysed. The reverse plasticity will be discussed in the context of plastic deformation mechanisms involved. The effect of loading rates on the mechanical properties of materials upon cyclic loading will also be discussed.

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