Investigation of the Multimechanism Laser Cleaning Dynamics for Rough Fused Silica Surfaces with Organic Contaminants: A Computational Simulation and Atomic Analysis.

The detrimental impact of organic contaminants on optical components poses a significant obstacle to high-energy laser systems. However, irregularities or defects on the surface of optical components during manufacturing can affect the process of organic contaminant removal. Thus, a comprehensive understanding of the intricate interplay among surface roughness, contaminant absorption, and ablation is essential to effectively address the challenges of laser-induced damage.

Influence of reactive oxygen species concentration and ambient temperature on the evolution of chemical bonds during plasma cleaning: a molecular dynamics simulation.

The research on plasma chemistry involved in the formation and dissociation of abundant chemical bonds is fundamental to developing plasma cleaning. To understand the influence of reactive oxygen species' concentration and ambient temperature on the evolution behavior of the chemical bond during plasma cleaning, microscopic reaction models between organic contaminants and reactive oxygen species were established and performed by reactive molecular dynamics. Dibutyl phthalate, as a representative organic contaminant, was selected as the research object.

Spectral diagnosis of in situ plasma cleaning in large-aperture optical components: reactive species characterization and prediction of cleaning.

The damage of large-aperture optical components caused by organic contamination limits the performance improvement of high-power laser facilities. We propose an in situ plasma cleaning technology to remove the organic contaminants on large-aperture optical components, demonstrated by the simulated equipment. The cleaning characteristics of the equipment were investigated by spectral diagnosis.

Graphitization Behavior of Single Crystal Diamond for the Application in Nano-Metric Cutting.

Background: Graphitization behavior of diamond has received an increasing interest in nanoscale machining of some hard and brittle materials. Diamond has always been an important and excellent tool material in cutting area. However, the graphitization of the diamond tool is inevitable when it was used in special conditions.

Dislocation Dynamics-Based Modeling and Simulations of Subsurface Damages Microstructure of Orthogonal Cutting of Titanium Alloy.

In this work, a novel method is put forward to quantitatively simulate the subsurface damages microstructural alteration of titanium alloy components subjected to microscale cutting. A trans-scale numerical framework is conducted with the purpose of revealing the underlying influence mechanism of tool structure parameters on subsurface dislocation configurations using a dislocation dynamics-based model, which considers both dislocation structural transformation and grain refining. Results showed that the developed framework not only captured the essential features of workpiece microstructure, but also predicted the subsurface damages layer states and their modifications.

Multiscale Analyses of Surface Failure Mechanism of Single-Crystal Silicon during Micro-Milling Process.

This article presents an experimental investigation on ductile-mode micro-milling of monocrystalline silicon using polycrystalline diamond (PCD) end mills. Experimental results indicate that the irregular fluctuation of cutting force always induces machined surface failure, even in ductile mode. The internal mechanism has not been investigated so far.

Anisotropy of Single-Crystal Silicon in Nanometric Cutting.

The anisotropy exhibited by single-crystal silicon in nanometric cutting is very significant. In order to profoundly understand the effect of crystal anisotropy on cutting behaviors, a large-scale molecular dynamics model was conducted to simulate the nanometric cutting of single-crystal silicon in the (100)[0-10], (100)[0-1-1], (110)[-110], (110)[00-1], (111)[-101], and (111)[-12-1] crystal directions in this study. The simulation results show the variations of different degrees in chip, subsurface damage, cutting force, and friction coefficient with changes in crystal plane and crystal direction.

Influence of cutting parameters on the depth of subsurface deformed layer in nano-cutting process of single crystal copper.

Large-scale molecular dynamics simulation is performed to study the nano-cutting process of single crystal copper realized by single-point diamond cutting tool in this paper. The centro-symmetry parameter is adopted to characterize the subsurface deformed layers and the distribution and evolution of the subsurface defect structures. Three-dimensional visualization and measurement technology are used to measure the depth of the subsurface deformed layers.

Adsorption of tripeptide RGD on rutile TiO(2) nanotopography surface in aqueous solution.

Molecular dynamics simulations were carried out to investigate the adsorption mechanisms of tripeptide Arg-Gly-Asp (RGD) on the nanotopography and perfect rutile TiO(2) (110) surfaces in aqueous solution. It is shown that the amino groups (NH(2) and NH3+) and carboxyl group (COO(-)) of RGD are the main groups bonding to hydrophilic TiO(2) surface by electrostatic and van der Waals interactions. It is also demonstrated that RGD adsorbs much more rapidly and stably on the nanotopography surface than the perfect surface.