Tribochemistry: a review of reactive molecular dynamics simulations
Tribochemistry, the study of chemical reactions in tribological interfaces, plays a critical role
in determining friction and wear behavior. One method researchers have used to explore …
in determining friction and wear behavior. One method researchers have used to explore …
Review of molecular dynamics simulations of phosphonium ionic liquid lubricants
Phosphonium ionic liquids (ILs) have various uses, including as environmentally benign
lubricants and lubricant additives. The properties and behavior of these ILs depend on their …
lubricants and lubricant additives. The properties and behavior of these ILs depend on their …
Mechanochemistry of phosphate esters confined between sliding iron surfaces
The molecular structure of lubricant additives controls not only their adsorption and
dissociation behaviour at the nanoscale, but also their ability to reduce friction and wear at …
dissociation behaviour at the nanoscale, but also their ability to reduce friction and wear at …
Ultralow Contact Resistance of Thermal Interface Materials Enabled by the Vitrimer Chemistry of a β-Hydroxy Phosphate Ester
Highly efficient thermal interface materials (TIMs) are crucial for high-power electronic
devices; however, the high thermal contact resistance (R c) between mating surfaces limits …
devices; however, the high thermal contact resistance (R c) between mating surfaces limits …
ReaxFF reactive molecular dynamics simulations of mechano-chemical decomposition of perfluoropolyether lubricants in heat-assisted magnetic recording
X Chen, K Kawai, H Zhang, K Fukuzawa… - The Journal of …, 2020 - ACS Publications
A thorough understanding of the decomposition of perfluoropolyether (PFPE) lubricants is
crucial to achieve heat-assisted magnetic recording (HAMR). In contrast to previous studies …
crucial to achieve heat-assisted magnetic recording (HAMR). In contrast to previous studies …
Computational tribochemistry: A review from classical and quantum mechanics studies
Recent years have witnessed the acceleration of research on tribochemical reactions in the
tribology area. Together with new experimental findings, atomic modeling has increasingly …
tribology area. Together with new experimental findings, atomic modeling has increasingly …
Thermal decomposition of phosphonium salicylate and phosphonium benzoate ionic liquids
The thermal stability of ionic liquids is important for their use in a variety of applications.
Here, reactive molecular dynamics simulations and thermogravimetric analyses were used …
Here, reactive molecular dynamics simulations and thermogravimetric analyses were used …
Shear-driven reactions of organosulfur compounds on ferrous surfaces: A molecular dynamics study
Reactive molecular dynamics simulations were used to investigate reactions between di-tert-
butyl disulfide and ferrous surfaces. Tribochemical reactions were characterized with and …
butyl disulfide and ferrous surfaces. Tribochemical reactions were characterized with and …
In situ Ti assisted graphitization approach for the preparation of graphite foam with light weight and high thermal conductivity
X Guo, Y Liu, X Tian, Z Tao, X Yan, Z Liu - RSC advances, 2023 - pubs.rsc.org
The state-of-the-art graphite foams (GFs) are afflicted by large bulk density and low thermal
conductivity, restricting their practical application. To alleviate the above problem, herein, an …
conductivity, restricting their practical application. To alleviate the above problem, herein, an …
[HTML][HTML] Atomic-scale insights into the tribochemical wear of diamond on quartz surfaces
A detailed understanding of diamond wear is crucial due to its use in high-performance
cutting tools. Despite being a much harder material, diamond shows appreciable wear when …
cutting tools. Despite being a much harder material, diamond shows appreciable wear when …