Numerical Simulations in Lubrication
A special issue of Lubricants (ISSN 2075-4442).
Deadline for manuscript submissions: closed (15 July 2022) | Viewed by 6457
Special Issue Editor
Interests: molecular dynamics simulation; thin film simulation; reactive molecular dynamics; carbon based tribofilm; aqueous copolymer lubricants; tribochemistry; quantum calculation; ab initio MD simulation
Special Issue Information
Dear Colleagues,
Nowadays, there is a pressing need to reduce the thickness of lubricating films to a scale of a few to tens of nanometres to reduce the friction loss while still bringing in significant cost benefits in transportation or metal-forming industries. This calls for insights into their atomic mechanisms, where the in situ phenomena cannot be observed by experimental instruments. The development of numerical methods ranging from the atomic to mesoscale has opened a new approach for researchers to be able to gain a comprehensive understanding about the behaviour of confined systems at different levels. Under severe conditions of loading pressure and sliding conditions, mechanical properties of tribo-surfaces, the chemical reactions of adsorbed lubricant molecules, and rheological properties of dynamic fluid films are different from bulk materials. However, the theoretical investigation at the molecular level is still yet to be attempted due to substantial efforts in numerical methodology development, as well as applying it for all lubricants and their specific applications.
This Special Issue reports on state-of-the-art research progress, covering not only the fundamentals of thin film lubrication, but also its applications to industrial practices. The attention is placed on applying numerical methods, such as the following:
- MD simulations of thin film lubrication;
- tribochemistry in lubrication;
- DFT calculations of reaction at tribosurface-lubricant interfaces;
- ab initio MD simulations of confined shear systems;
- mesoscale simulations of lubrication.
Dr. Thi Dinh Ta
Guest Editor
Manuscript Submission Information
Manuscripts should be submitted online at www.mdpi.com by registering and logging in to this website. Once you are registered, click here to go to the submission form. Manuscripts can be submitted until the deadline. All submissions that pass pre-check are peer-reviewed. Accepted papers will be published continuously in the journal (as soon as accepted) and will be listed together on the special issue website. Research articles, review articles as well as short communications are invited. For planned papers, a title and short abstract (about 100 words) can be sent to the Editorial Office for announcement on this website.
Submitted manuscripts should not have been published previously, nor be under consideration for publication elsewhere (except conference proceedings papers). All manuscripts are thoroughly refereed through a single-blind peer-review process. A guide for authors and other relevant information for submission of manuscripts is available on the Instructions for Authors page. Lubricants is an international peer-reviewed open access monthly journal published by MDPI.
Please visit the Instructions for Authors page before submitting a manuscript. The Article Processing Charge (APC) for publication in this open access journal is 2600 CHF (Swiss Francs). Submitted papers should be well formatted and use good English. Authors may use MDPI's English editing service prior to publication or during author revisions.
Keywords
- molecular dynamics simulation
- tribochemistry
- thin film lubrication
- ab initio molecular dynamics simulation
- mesoscale molecular dynamics simulations
