scholarly journals Atomic-scale characterization of occurring phenomena during hot nanometric cutting of single crystal 3C–SiC

RSC Advances ◽  
2016 ◽  
Vol 6 (75) ◽  
pp. 71409-71424 ◽  
Author(s):  
Saeed Zare Chavoshi ◽  
Xichun Luo
Keyword(s):  
Molecular Dynamics ◽  
Single Crystal ◽  
Md Simulation ◽  
Atomic Scale ◽  
Nanometric Cutting ◽  
Crystal Orientations ◽  
Scale Characterization

Nanometric cutting of single crystal 3C–SiC on the three principal crystal orientations at various cutting temperatures spanning from 300 K to 3000 K was investigated by the use of molecular dynamics (MD) simulation.

A review on the molecular dynamics simulation of machining at the atomic scale

2001 ◽  
Vol 215 (12) ◽  
pp. 1639-1672 ◽  
Author(s):  
R Komanduri ◽  
L M Raff
Keyword(s):  
Molecular Dynamics ◽  
Md Simulation ◽  
Atomic Scale ◽  
Dynamics Simulation ◽  
Burr Formation ◽  
Depth Of Cut ◽  
Second Phase ◽  
Nanometric Cutting ◽  
Subsurface Deformation ◽  
Work Material

Molecular dynamics (MD) simulation, like other simulation techniques, such as the finite difference method (FDM), or the finite element method (FEM) can play a significant role in addressing a number of machining problems at the atomic scale. It may be noted that atomic simulations are providing new data and exciting insights into various manufacturing processes and tribological phenomenon that cannot be obtained readily in any other way—theory, or experiment. In this paper, the principles of MD simulation, relative advantages and current limitations, and its application to a range of machining problems are reviewed. Machining problems addressed include: (a) the mechanics of nanometric cutting of non-ferrous materials, such as copper and aluminium; (b) the mechanics of nanometric cutting of semiconductor materials, such as silicon and germanium; (c) the effect of various process parameters, including rake angle, edge radius and depth of cut on cutting and thrust forces, specific force ratio, energy, and subsurface deformation of the machined surface; the objective is the development of a process that is more efficient and effective in minimizing the surface or subsurface damage; (d) modelling of the exit failures in various work materials which cause burr formation in machining; (e) simulation of work materials with known defect structure, such as voids, grain boundaries, second phase particles; shape, size and density of these defects can be varied using MD simulation as well as statistical mechanical or Monte Carlo approaches; (f) nanometric cutting of nanostructures; (g) investigation of the nanometric cutting of work materials of known crystallographic orientation; (h) relative hardness of the tool material with respect to the work material in cutting; a range of hardness values from the tool being softer than the work material to the tool being several times harder than the work material is considered; and (i) the tool wear in nanometric cutting of iron with a diamond tool. The nature of deformation in the work material ahead of the tool, subsurface deformation, nature of variation of the forces and their ratio, and specific energy with cutting conditions are investigated by this method.

Molecular Dynamics Simulation on the Mechanism of Nanometric Machining of Single-Crystal Silicon

2004 ◽  
Vol 471-472 ◽  
pp. 144-148 ◽  
Author(s):  
Hui Wu ◽  
Bin Lin ◽  
S.Y. Yu ◽  
Hong Tao Zhu
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Single Crystal ◽  
Single Crystal Silicon ◽  
Atomic Scale ◽  
Dynamics Simulation ◽  
Crystal Silicon ◽  
Nanometric Cutting ◽  
Simulation Techniques ◽  
Nanometric Machining

Molecular dynamics (MD) simulation can play a significant role in addressing a number of machining problems at the atomic scale. This simulation, unlike other simulation techniques, can provide new data and insights on nanometric machining; which cannot be obtained readily in any other theory or experiment. In this paper, some fundamental problems of mechanism are investigated in the nanometric cutting with the aid of molecular dynamics simulation, and the single-crystal silicon is chosen as the material. The study showed that the purely elastic deformation took place in a very narrow range in the initial stage of process of nanometric cutting. Shortly after that, dislocation appeared. And then, amorphous silicon came into being under high hydrostatic pressure. Significant change of volume of silicon specimen is observed, and it is considered that the change occur attribute to phase transition from a diamond silicon to a body-centered tetragonal silicon. The study also indicated that the temperature distributing of silicon in nanometric machining exhibited similarity to conventional machining.

MOLECULAR DYNAMICS SIMULATION OF NANOMETRIC CUTTING PROCESS

2006 ◽  
Vol 05 (04n05) ◽  
pp. 633-638
Author(s):  
Q. X. PEI ◽  
C. LU ◽  
F. Z. FANG ◽  
H. WU
Keyword(s):  
Molecular Dynamics ◽  
Cutting Force ◽  
Chip Formation ◽  
Md Simulation ◽  
Cutting Process ◽  
Atomic Scale ◽  
Dynamics Simulation ◽  
Tool Geometry ◽  
Nanometric Cutting ◽  
Eam Potential

Nanoscale machining involves changes in only a few atomic layers at the surface. Molecular dynamics (MD) simulation can play a significant role in addressing a number of machining problems at the atomic scale. In this paper, we employed MD simulations to study the nanometric cutting process of single crystal copper. Instead of the widely used Morse potential, we used the Embedded Atom Method (EAM) potential for this study. The simulations were carried out for various tool geometries at different cutting speeds. Attention was paid to the cutting chip formation, the cutting surface morphology and the cutting force. The MD simulation results show that both the tool geometry and the cutting speed have great influence on the chip formation, the smoothness of machined surface and the cutting force.

Atomic scale characterization of GaInN/GaN multiple quantum wells in V-shaped pits

2011 ◽  
Vol 98 (18) ◽  
pp. 181904 ◽  
Author(s):  
Shigetaka Tomiya ◽  
Yuya Kanitani ◽  
Shinji Tanaka ◽  
Tadakatsu Ohkubo ◽  
Kazuhiro Hono
Keyword(s):  
Quantum Wells ◽  
Atomic Scale ◽  
Multiple Quantum Wells ◽  
Multiple Quantum ◽  
Scale Characterization

scholarly journals Combined Macroscopic, Nanoscopic, and Atomic-Scale Characterization of Gold-Ruthenium Bimetallic Catalysts for Octanol Oxidation

2016 ◽  
Vol 33 (7) ◽  
pp. 419-437 ◽  
Author(s):  
Lidia E. Chinchilla ◽  
Carol Olmos ◽  
Mert Kurttepeli ◽  
Sara Bals ◽  
Gustaaf Van Tendeloo ◽  
...  
Keyword(s):  
Bimetallic Catalysts ◽  
Atomic Scale ◽  
Scale Characterization

Atomic Scale Characterization of the Pt/TiO2; Interface

2004 ◽  
Vol 10 (S02) ◽  
pp. 452-453
Author(s):  
Hakim Iddir ◽  
Mark Disko ◽  
Nigel D. Browning ◽  
Serdar Ogut
Keyword(s):  
Atomic Scale ◽  
Scale Characterization

Extended abstract of a paper presented at Microscopy and Microanalysis 2004 in Savannah, Georgia, USA, August 1–5, 2004.

scholarly journals How Atoms of Polycrystalline Nb 20.6 Mo 21.7 Ta 15.6 W 21.1 V 21.0 refractory High-Entropy Alloys Rearrange during the Melting Process

2021 ◽  
Author(s):  
Shin-Pon Ju ◽  
Chen-Chun Li
Keyword(s):  
Molecular Dynamics ◽  
Melting Point ◽  
Single Crystal ◽  
Melting Temperature ◽  
Md Simulation ◽  
Melting Process ◽  
Structural Rearrangement ◽  
High Entropy Alloys ◽  
High Entropy ◽  
Melting Mechanism

Abstract The melting mechanism of single crystal and polycrystalline Nb 20.6 Mo 21.7 Ta 15.6 W 21.1 V 21.0 RHEAs was investigated by the molecular dynamics (MD) simulation using the 2NN MEAM potential. For the single crystal RHEA, the density profile displays an abrupt drop from 11.25 to 11.00 g/cm 3 at temperatures from 2910 to 2940 K, indicating all atoms begin significant local structural rearrangement. For polycrystalline RHEAs, a two-stage melting process is found. In the first melting stage, the melting of the grain boundary (GB) regions firstly occurs at the pre-melting temperature, which is relatively lower than the corresponding system-melting point. At the pre-melting temperature, most GB atoms have enough kinetic energies to leave their equilibrium positions, and then gradually induce the rearrangement of grain atoms close to GB. In the second melting stage at the melting point, most grain atoms have enough kinetic energies to rearrange, resulting in the chemical short-ranged order (CSRO) changes of all pairs.

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