Fabrication of Metallic Wire Grating by Femtosecond Laser Ablation: A Molecular Dynamics Simulation Study

2010 ◽  
Author(s):  
Ming-Chieh Cheng ◽  
Cheng-Kuo Sung
Keyword(s):  
Molecular Dynamics ◽  
Laser Ablation ◽  
Molecular Dynamics Simulation ◽  
Femtosecond Laser ◽  
Laser Fluence ◽  
Three Dimensional ◽  
Femtosecond Laser Ablation ◽  
Dynamics Simulation ◽  
Machining Processes ◽  
Ablation Mechanism

Femtosecond lasers enable materials processing with their notably characteristics, such as precision, high peak density, flexible, and minor thermal affected zone. Applications ranging from high precision micromachining to biological manipulation with no thermal damages are possibly executed via this technology. In this study, the three-dimensional molecular dynamics simulation associated with the parallel computation were utilized to explore the ablation mechanism, the trend between the femtosecond laser fluence density and laser ablation depth as well as affected zone. In addition, we also compared the ablation methods which were single ablation and superposited ablation machining processes. Moreover, the heat-affected zone effect was discussed. Ultimately, a femtosecond laser ablation manufacturing process simulation was implemented by the combination of laser fluence densities to demonstrate the feasibility of fabricating the metallic gratings.

Calculation of Argon-Aluminum Interatomic Potential and Its Application in Molecular Dynamics Simulation of Femtosecond Laser Ablation

2016 ◽  
Vol 43 (8) ◽  
pp. 0802004
Author(s):  
吴寒 Wu Han ◽  
张楠 Zhang Nan ◽  
何淼 He Miao ◽  
Shih Cheng-Yu Shih Cheng-Yu ◽  
朱晓农 Zhu Xiaonong
Keyword(s):  
Molecular Dynamics ◽  
Laser Ablation ◽  
Molecular Dynamics Simulation ◽  
Femtosecond Laser ◽  
Interatomic Potential ◽  
Femtosecond Laser Ablation ◽  
Dynamics Simulation

Ablation study of laser micromachining process with molecular dynamics simulation

2016 ◽  
Vol 231 (3) ◽  
pp. 415-426 ◽  
Author(s):  
Angelos P Markopoulos ◽  
Dimitrios E Manolakos
Keyword(s):  
Molecular Dynamics ◽  
Laser Ablation ◽  
Laser Fluence ◽  
Three Dimensional ◽  
Ablation Rate ◽  
Dynamics Simulation ◽  
Entire Duration ◽  
Micro Hole ◽  
System Temperature ◽  
Ablation Study

A three-dimensional molecular dynamics model is presented for the simulation of the creation of a micro-hole on a thin film metal substrate via laser ablation. For the presented analysis, molybdenum and aluminium specimens are selected and short pulses are assumed. The laser fluence takes several values between 0.5 and 20 J/cm2. The proposed models include significant laser ablation phenomena such as plasma shielding. However, they are not computationally intense. In this study, the Morse potential is used for the interactions of the atoms of the specimens. The analysis is carried out in order to investigate the ablation rate, the ablation depth and the mean temperature of molybdenum and aluminium targets under their heating by the laser beam, for several different values of fluence. Results for molybdenum indicate that as fluence increases, it takes less time for the atoms to be ablated. For low-fluence pulses, more than one pulse may be required for the ablation of all atoms. For high-fluence pulses, the ablation is not uniform across the entire duration of the pulse and the specimen is overheated. A fluence value around 2–3 J/cm2 is suggested for uniform ablation. From the analysis, it is evident that the evolution of ablation and system temperature is different for molybdenum and aluminium, for the same laser fluence. This is attributed to different crystalline structures and absorptivity of each material. It may be said that molecular dynamics prove to be a powerful tool for the simulation of nanomanufacturing processes and useful conclusions are drawn from the analysis.

Large Scale Molecular Dynamics Simulation of Femtosecond Laser Ablation of Silicon Using Sensing-VISICOM

2011 ◽  
Vol 418-420 ◽  
pp. 1330-1337
Author(s):  
Gang Liu ◽  
Yi Ping Yao
Keyword(s):  
Molecular Dynamics ◽  
Laser Ablation ◽  
Molecular Dynamics Simulation ◽  
Laser Cutting ◽  
Large Scale ◽  
Femtosecond Laser Ablation ◽  
Parallel Simulation ◽  
Dynamics Simulation ◽  
Material Interaction ◽  
Interaction Phenomena

Silicon is widely used as substrate material for the fabrication of micro-electro and micromechanical components. Since silicon is very brittle, how to cut it into complex shapes remains a hot topic. Thanks to the small spot diameter, laser cutting is a promising alternative. However, during laser cutting, different kinds of defects can be generated depending on the beam-material interaction phenomena (ablation, melting, etc). Molecular Dynamics simulation is an effective way to study the beam-material interaction phenomena. Lots of work has been done to develop MD models of laser ablation of silicon. However, due to lack of support from high performance parallel simulation platform, the scale of the molecular systems is limited. This paper presents a component-based parallel simulation platform Sensing-VISICOM, for large scale molecular dynamics simulation. To test its runtime performance, a molecular system of femtosecond laser ablation of silicon is designed and implemented under Sensing-VISICOM. The results of the simulation show the platform can scales well to millions of atoms.

scholarly journals An Analysis Based on Molecular Docking and Molecular Dynamics Simulation Study of Bromelain as Anti-SARS-CoV-2 Variants

2021 ◽  
Vol 12 ◽  
Author(s):  
Trina Ekawati Tallei ◽  
Fatimawali ◽  
Afriza Yelnetty ◽  
Rinaldi Idroes ◽  
Diah Kusumawaty ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Molecular Docking ◽  
Molecular Dynamics Simulation ◽  
Three Dimensional ◽  
Md Simulations ◽  
Inhibitory Effect ◽  
Dynamics Simulation ◽  
Novel Coronavirus

The rapid spread of a novel coronavirus known as SARS-CoV-2 has compelled the entire world to seek ways to weaken this virus, prevent its spread and also eliminate it. However, no drug has been approved to treat COVID-19. Furthermore, the receptor-binding domain (RBD) on this viral spike protein, as well as several other important parts of this virus, have recently undergone mutations, resulting in new virus variants. While no treatment is currently available, a naturally derived molecule with known antiviral properties could be used as a potential treatment. Bromelain is an enzyme found in the fruit and stem of pineapples. This substance has been shown to have a broad antiviral activity. In this article, we analyse the ability of bromelain to counteract various variants of the SARS-CoV-2 by targeting bromelain binding on the side of this viral interaction with human angiotensin-converting enzyme 2 (hACE2) using molecular docking and molecular dynamics simulation approaches. We have succeeded in making three-dimensional configurations of various RBD variants using protein modelling. Bromelain exhibited good binding affinity toward various variants of RBDs and binds right at the binding site between RBDs and hACE2. This result is also presented in the modelling between Bromelain, RBD, and hACE2. The molecular dynamics (MD) simulations study revealed significant stability of the bromelain and RBD proteins separately up to 100 ns with an RMSD value of 2 Å. Furthermore, despite increases in RMSD and changes in Rog values of complexes, which are likely due to some destabilized interactions between bromelain and RBD proteins, two proteins in each complex remained bonded, and the site where the two proteins bind remained unchanged. This finding indicated that bromelain could have an inhibitory effect on different SARS-CoV-2 variants, paving the way for a new SARS-CoV-2 inhibitor drug. However, more in vitro and in vivo research on this potential mechanism of action is required.

Effect of silicon target porosity on laser ablation threshold: molecular dynamics simulation

2021 ◽  
Vol 18 (7) ◽  
pp. 076001
Author(s):  
A Yu Kharin ◽  
M S Grigoryeva ◽  
I N Zavestovskaya ◽  
V Yu Timoshenko
Keyword(s):  
Molecular Dynamics ◽  
Laser Ablation ◽  
Molecular Dynamics Simulation ◽  
Ablation Threshold ◽  
Dynamics Simulation ◽  
Silicon Target
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