[HTML][HTML] Review of force fields and intermolecular potentials used in atomistic computational materials research
Molecular simulation is a powerful computational tool for a broad range of applications
including the examination of materials properties and accelerating drug discovery. At the …
including the examination of materials properties and accelerating drug discovery. At the …
Machine learning based interatomic potential for amorphous carbon
VL Deringer, G Csányi - Physical Review B, 2017 - APS
We introduce a Gaussian approximation potential (GAP) for atomistic simulations of liquid
and amorphous elemental carbon. Based on a machine learning representation of the …
and amorphous elemental carbon. Based on a machine learning representation of the …
Interplay of mechanics and chemistry governs wear of diamond-like carbon coatings interacting with ZDDP-additivated lubricants
VR Salinas Ruiz, T Kuwahara, J Galipaud… - Nature …, 2021 - nature.com
Friction and wear reduction by diamond-like carbon (DLC) in automotive applications can be
affected by zinc-dialkyldithiophosphate (ZDDP), which is widely used in engine oils. Our …
affected by zinc-dialkyldithiophosphate (ZDDP), which is widely used in engine oils. Our …
Mechano-chemical decomposition of organic friction modifiers with multiple reactive centres induces superlubricity of ta-C
T Kuwahara, PA Romero, S Makowski… - Nature …, 2019 - nature.com
Superlubricity of tetrahedral amorphous carbon (ta-C) coatings under boundary lubrication
with organic friction modifiers is important for industrial applications, but the underlying …
with organic friction modifiers is important for industrial applications, but the underlying …
Modeling tribocorrosion of passive metals–A review
S Cao, S Mischler - Current opinion in solid state and materials science, 2018 - Elsevier
Tribocorrosion is a material degradation phenomenon resulting from interactive effects
between wear and corrosion. It is commonly found in engineering applications (eg …
between wear and corrosion. It is commonly found in engineering applications (eg …
Structure effects of sp2-rich carbon films under super-low friction contact
Y Wang, K Gao, B Zhang, Q Wang, J Zhang - Carbon, 2018 - Elsevier
Driven by the advent of fullerenes, carbon nanotubes and graphene, designing or tailoring
sp 2-rich carbon clusters in carbon based films attains very interesting properties which can …
sp 2-rich carbon clusters in carbon based films attains very interesting properties which can …
Metastable hybridized structure transformation in amorphous carbon films during friction—A study combining experiments and MD simulation
Y Zhou, Z Chen, T Zhang, S Zhang, X Xing, Q Yang… - Friction, 2023 - Springer
Amorphous carbon films have attracted substantial interest due to their exceptional
mechanical and tribological properties. Previous studies revealed that the amorphous …
mechanical and tribological properties. Previous studies revealed that the amorphous …
Machine learning driven simulated deposition of carbon films: From low-density to diamondlike amorphous carbon
Amorphous carbon (aC) materials have diverse interesting and useful properties, but the
understanding of their atomic-scale structures is still incomplete. Here, we report on …
understanding of their atomic-scale structures is still incomplete. Here, we report on …
The role of carbon fibers and silica nanoparticles on friction and wear reduction of an advanced polymer matrix composite
W Österle, AI Dmitriev, B Wetzel, G Zhang, I Häusler… - Materials & Design, 2016 - Elsevier
Excellent tribological properties of an advanced polymer matrix composite were obtained by
a combination of micro-and nano-sized fillers. Surface features and the nanostructure of …
a combination of micro-and nano-sized fillers. Surface features and the nanostructure of …