scholarly journals Simulation on the Factors Affecting the Crystallization Process of FeNi Alloy by Molecular Dynamics

ACS Omega ◽  
2019 ◽  
Vol 4 (11) ◽  
pp. 14605-14612 ◽  
Author(s):  
Dung Nguyen-Trong ◽  
Kien Pham-Huu ◽  
Phuong Nguyen-Tri
Keyword(s):  
Molecular Dynamics ◽  
Crystallization Process ◽  
Factors Affecting ◽  
Feni Alloy

scholarly journals Understanding the Reaction Crystallization Process of Glycidyl Trimethyl Ammonium Chloride

Crystals ◽  
2021 ◽  
Vol 11 (4) ◽  
pp. 449
Author(s):  
Shuai Yu ◽  
Hui Chen ◽  
Xujie Gao ◽  
Weichun Feng ◽  
Wenguo Xing ◽  
...  
Keyword(s):  
Ammonium Chloride ◽  
Crystallization Process ◽  
Crystal Form ◽  
Trimethyl Ammonium Chloride ◽  
Key Factors ◽  
Factors Affecting ◽  
Seed Dispersion ◽  
Seed Growth ◽  
Seed Method ◽  
Crystal Seed

Reaction crystallization to produce glycidyl trimethyl ammonium chloride (GTA) via epichlorohydrin with gas-state trimethylamine was investigated. The crystallization process of the GTA gas-liquid reaction was optimized by a seed method. The optimized technology can prepare GTA products with crystal form and purity greater than 97%. The crystallization process of GTA consists of four steps (i.e., addition of seed, dispersion of seed, growth of crystals on the seed surfaces, agglomeration and growth of crystal). Seed method and flow rate are the key factors affecting purity. The purity and particle size of GTA crystals were satisfactory as long as the operation was kept within the defined envelope. The experiments were conducted on a 1 L reactor and successfully scaled-up to 3000 L in industry.

scholarly journals Entire crystallization process of Lennard-Jones liquids: A large-scale molecular dynamics study

2020 ◽  
Vol 152 (5) ◽  
pp. 054903 ◽  
Author(s):  
Wenze Ouyang ◽  
Bin Sun ◽  
Zhiwei Sun ◽  
Shenghua Xu
Keyword(s):  
Molecular Dynamics ◽  
Large Scale ◽  
Crystallization Process ◽  
Lennard Jones

Molecular Dynamics Simulation Study on Diamond Tool Wear in Cutting Aluminum-Based Workpieces

2013 ◽  
Vol 579-580 ◽  
pp. 211-215
Author(s):  
Guo Jun Dong ◽  
Yuan Jing Zhang ◽  
Ming Zhou
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Tool Wear ◽  
Simulation Study ◽  
Diamond Tool ◽  
Cutting Speed ◽  
Dynamics Simulation ◽  
Cutting Depth ◽  
Factors Affecting ◽  
Definite Effect

The problem of diamond tool wear is the bottleneck for machining large metal reflector with ultraprecision cutting method. In this paper, the author performed simulation study on diamond tool wear in machining large metal reflectors, and established a molecular dynamics simulation model for dynamic simulation of tool wear; and found that in the simulation process the change in cutting speed and cutting depth had definite effect on the tool wear, and the main factors affecting the tool wear was the cutting distance.

scholarly journals Dynamic Behavior of Rotation Transmission Nano-System in Helium Environment: A Molecular Dynamics Study

Molecules ◽  
2021 ◽  
Vol 26 (17) ◽  
pp. 5199
Author(s):  
Pan Zheng ◽  
Wugui Jiang ◽  
Qinghua Qin ◽  
Duosheng Li
Keyword(s):  
Molecular Dynamics ◽  
Dynamic Behavior ◽  
Rotation Frequency ◽  
Density Range ◽  
End Effects ◽  
Sharp Drop ◽  
Gas Density ◽  
Factors Affecting ◽  
Critical Range ◽  
System Temperature

The molecular dynamics (MD) method is used to investigate the influence of the shielding gas on the dynamic behavior of the heterogeneous rotation transmission nano-system (RTS) built on carbon nanotubes (CNTs) and boron nitride nanotube (BNNT) in a helium environment. In the heterogeneous RTS, the inner CNT acts as a rotor, the middle BNNT serves as a motor, and the outer CNT functions as a stator. The rotor will be actuated to rotate by the motor due to the interlayer van der Waals effects and the end effects. The MD simulation results show that, when the gas density is lower than a critical range, a stable signal of the rotor will arise on the output and the rotation transmission ratio (RRT) of RTS can reach 1.0, but as the gas density is higher than the critical range, the output signal of the rotor cannot be stable due to the sharp drop of the RRT caused by the large friction between helium and the RTS. The greater the motor input signal of RTS, the lower the critical working helium density range. The results also show that the system temperature and gas density are the two main factors affecting the RTS transmission behavior regardless of the size of the simulation box. Our MD results clearly indicate that in the working temperature range of the RTS from 100 K to 600 K, the higher the temperature and the lower the motor input rotation frequency, the higher the critical working helium density range allows.

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