scholarly journals Influence of hydrogenation on the mechanical properties of Pd nanoparticles

RSC Advances ◽  
2021 ◽  
Vol 11 (5) ◽  
pp. 3115-3124
Author(s):  
Jianjun Bian ◽  
Liang Yang ◽  
Weike Yuan ◽  
Gangfeng Wang
Keyword(s):  
Mechanical Properties ◽  
Pd Nanoparticles ◽  
Atomic Simulations

Atomic simulations are conducted to investigate the influence of hydrogenation on the mechanical properties of Pd nanoparticles.

scholarly journals Atomic Simulations of Packing Structures, Local Stress and Mechanical Properties for One Silicon Lattice with Single Vacancy on Heating

Materials ◽  
2021 ◽  
Vol 14 (11) ◽  
pp. 3127
Author(s):  
Feng Dai ◽  
Dandan Zhao ◽  
Lin Zhang
Keyword(s):  
Mechanical Properties ◽  
Young’S Modulus ◽  
Young's Modulus ◽  
Silicon Crystal ◽  
Local Stress ◽  
Uniaxial Tensile ◽  
Single Vacancy ◽  
Vacancy Defects ◽  
Silicon Lattice ◽  
Atomic Simulations

The effect of vacancy defects on the structure and mechanical properties of semiconductor silicon materials is of great significance to the development of novel microelectronic materials and the processes of semiconductor sensors. In this paper, molecular dynamics is used to simulate the atomic packing structure, local stress evolution and mechanical properties of a perfect lattice and silicon crystal with a single vacancy defect on heating. In addition, their influences on the change in Young’s modulus are also analyzed. The atomic simulations show that in the lower temperature range, the existence of vacancy defects reduces the Young’s modulus of the silicon lattice. With the increase in temperature, the local stress distribution of the atoms in the lattice changes due to the migration of the vacancy. At high temperatures, the Young’s modulus of the silicon lattice changes in anisotropic patterns. For the lattice with the vacancy, when the temperature is higher than 1500 K, the number and degree of distortion in the lattice increase significantly, the obvious single vacancy and its adjacent atoms contracting inward structure disappears and the defects in the lattice present complex patterns. By applying uniaxial tensile force, it can be found that the temperature has a significant effect on the elasticity–plasticity behaviors of the Si lattice with the vacancy.

Mechanical properties of nanoporous metallic glasses: Insights from large-scale atomic simulations

2020 ◽  
Vol 127 ◽  
pp. 102657 ◽  
Author(s):  
Wei-Hui Lin ◽  
Yun Teng ◽  
Zhen-Dong Sha ◽  
Su-Yue Yuan ◽  
Paulo Sergio Branicio
Keyword(s):  
Mechanical Properties ◽  
Metallic Glasses ◽  
Large Scale ◽  
Atomic Simulations

Mechanical Properties Obtained by Indentation of Hollow Pd Nanoparticles

2018 ◽  
Vol 122 (43) ◽  
pp. 25035-25042 ◽  
Author(s):  
Felipe J. Valencia ◽  
Rafael I. González ◽  
H. Vega ◽  
Carlos Ruestes ◽  
José Rogan ◽  
...  
Keyword(s):  
Mechanical Properties ◽  
Pd Nanoparticles

scholarly journals Atomic Study on Tension Behaviors of Sub-10 nm NanoPolycrystalline Cu–Ta Alloy

Materials ◽  
2019 ◽  
Vol 12 (23) ◽  
pp. 3913 ◽  
Author(s):  
Weibing Li ◽  
Xiao Wang ◽  
Libo Gao ◽  
Yang Lu ◽  
Weidong Wang
Keyword(s):  
Mechanical Properties ◽  
Elastic Modulus ◽  
Strain Rate ◽  
Md Simulations ◽  
Good Explanation ◽  
Strength Increase ◽  
Flow Strength ◽  
Atomic Simulations ◽  
Effects Of Temperature ◽  
Stretching Process

Atomic simulations give a good explanation of the changes in the physical properties of a material. In this work, the tension behaviors of nanopolycrystalline Cu–Ta alloys are investigated through molecular dynamics (MD) simulations, and the influences of several important factors on the mechanical properties of the materials are studied. Firstly, nanopolycrystalline Cu–Ta (10 at %) alloy models with sub-10 nm grains are established by using the method of replacing the grain boundary atoms. Then, the effects of temperature, pressure, and strain rate on the mechanical properties of nanopolycrystalline Cu–Ta alloy are studied, and the elastic modulus and flow strength are obtained. The observations from the simulation results show that the elastic modulus and flow strength increase with the increasing of grain size for sub-10 nm nanopolycrystalline Cu–Ta alloys, and the elastic modulus increases firstly and then stabilizes as the strain rate increases. Finally, according to the evolution of dislocations and twin crystals, the plastic deformation mechanism of nanopolycrystalline Cu–Ta alloy during the stretching process is discussed in depth.

Effect of irradiation on mechanical properties of symmetrical grain boundaries investigated by atomic simulations

2017 ◽  
Vol 491 ◽  
pp. 154-161 ◽  
Author(s):  
X.Y. Wang ◽  
N. Gao ◽  
W. Setyawan ◽  
B. Xu ◽  
W. Liu ◽  
...  
Keyword(s):  
Mechanical Properties ◽  
Grain Boundaries ◽  
Atomic Simulations

Phase Transformations in Ti-7w/oMo-3w/oMe Alloy

1974 ◽  
Vol 32 ◽  
pp. 514-515
Author(s):  
S. Fujishiro
Keyword(s):  
Electron Microscopy ◽  
Mechanical Properties ◽  
Transmission Electron Microscopy ◽  
Tensile Strength ◽  
Mechanical Processing ◽  
Ray Method ◽  
X Ray ◽  
Transmission Electron ◽  
Water Quench ◽  
Alpha Beta

The mechanical properties of three titanium alloys (Ti-7Mo-3Al, Ti-7Mo- 3Cu and Ti-7Mo-3Ta) were evaluated as function of: 1) Solutionizing in the beta field and aging, 2) Thermal Mechanical Processing in the beta field and aging, 3) Solutionizing in the alpha + beta field and aging. The samples were isothermally aged in the temperature range 300° to 700*C for 4 to 24 hours, followed by a water quench. Transmission electron microscopy and X-ray method were used to identify the phase formed. All three alloys solutionized at 1050°C (beta field) transformed to martensitic alpha (alpha prime) upon being water quenched. Despite this heavily strained alpha prime, which is characterized by microtwins the tensile strength of the as-quenched alloys is relatively low and the elongation is as high as 30%.

Effects of cooling rate on the mechanical properties of dual phase treated vanadium steels

1983 ◽  
Vol 41 ◽  
pp. 220-221
Author(s):  
L.J. Chen ◽  
H.C. Cheng ◽  
J.R. Gong ◽  
J.G. Yang
Keyword(s):  
Mechanical Properties ◽  
Cooling Rate ◽  
Automobile Industry ◽  
High Strength ◽  
Weight Percent ◽  
Low Alloy Steels ◽  
Dual Phase ◽  
Resource Requirement ◽  
Alloy Steels ◽  
Potential Weight

For fuel savings as well as energy and resource requirement, high strength low alloy steels (HSLA) are of particular interest to automobile industry because of the potential weight reduction which can be achieved by using thinner section of these steels to carry the same load and thus to improve the fuel mileage. Dual phase treatment has been utilized to obtain superior strength and ductility combinations compared to the HSLA of identical composition. Recently, cooling rate following heat treatment was found to be important to the tensile properties of the dual phase steels. In this paper, we report the results of the investigation of cooling rate on the microstructures and mechanical properties of several vanadium HSLA steels.The steels with composition (in weight percent) listed below were supplied by China Steel Corporation: 1. low V steel (0.11C, 0.65Si, 1.63Mn, 0.015P, 0.008S, 0.084Aℓ, 0.004V), 2. 0.059V steel (0.13C, 0.62S1, 1.59Mn, 0.012P, 0.008S, 0.065Aℓ, 0.059V), 3. 0.10V steel (0.11C, 0.58Si, 1.58Mn, 0.017P, 0.008S, 0.068Aℓ, 0.10V).

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