Atomic force microscopy probing interactions and microstructures of ionic liquids at solid surfaces

R An, A Laaksonen, M Wu, Y Zhu, FU Shah, X Lu, X Ji - Nanoscale, 2022 - pubs.rsc.org
Ionic liquids (ILs) are room temperature molten salts that possess preeminent
physicochemical properties and have shown great potential in many applications. However …

Molecular dynamics simulation of the Stribeck curve: Boundary lubrication, mixed lubrication, and hydrodynamic lubrication on the atomistic level

S Stephan, S Schmitt, H Hasse, HM Urbassek - Friction, 2023 - Springer
Lubricated contact processes are studied using classical molecular dynamics simulations for
determining the entire range of the Stribeck curve. Therefore, the lateral movement of two …

Integrative studies of ionic liquid interface layers: bridging experiments, theoretical models and simulations

R An, N Wu, Q Gao, Y Dong, A Laaksonen… - Nanoscale …, 2024 - pubs.rsc.org
Ionic liquids (ILs) are a class of salts existing in the liquid state below 100° C, possessing
low volatility, high thermal stability as well as many highly attractive solvent and …

Immobilizing ionic liquids onto functionalized surfaces for sensing volatile organic compounds

M Zhang, N Ma, Z Dai, X Song, Q Ji, L Li, R An - Langmuir, 2022 - ACS Publications
Herein, a highly sensitive volatile organic compound (VOC) gas sensor is demonstrated
using immobilized ionic liquid (IL), 1-butyl-3-methylimidazolium hexafluorophosphate, onto …

The influence of lubrication and the solid–fluid interaction on thermodynamic properties in a nanoscopic scratching process

S Stephan, M Dyga, HM Urbassek, H Hasse - Langmuir, 2019 - ACS Publications
Liquid lubricants play an important role in contact processes; for example, they reduce
friction and cool the contact zone. To gain better understanding of the influence of lubrication …

Enhancing gas solubility in nanopores: a combined study using classical density functional theory and machine learning

C Qiao, X Yu, X Song, T Zhao, X Xu, S Zhao… - Langmuir, 2020 - ACS Publications
Geometrical confinement has a large impact on gas solubilities in nanoscale pores. This
phenomenon is closely associated with heterogeneous catalysis, shale gas extraction …

Evaluation of Synergic Potential of rGO/SiO2 as Hybrid Filler for BisGMA/TEGDMA Dental Composites

A Alrahlah, R Khan, AB Al-Odayni, WS Saeed… - Polymers, 2020 - mdpi.com
Graphene and graphene oxide based nanomaterials have attained immense significance in
research because of their matchless physiochemical characteristics. Although potential …

Molecular dynamics simulation study of mechanical effects of lubrication on a nanoscale contact process

S Stephan, MP Lautenschläger, IA Alhafez, MT Horsch… - Tribology Letters, 2018 - Springer
Using molecular dynamics simulation, we study the effect of a lubricant on indentation and
scratching of a Fe surface. By comparing a dry reference case with two lubricated contacts …

Nanoindentation Study of Calcium-Silicate-Hydrate Gel via Molecular Dynamics Simulations

H Yin, X Wang, H Qin, S Wang, K Cai - Nanomaterials, 2023 - mdpi.com
The mechanical properties of calcium-silicate-hydrate (CSH) gels in cementitious materials
are mainly realized by nanoindentation experiments. There is limited research on the …

Reproducibility of atomistic friction computer experiments: a molecular dynamics simulation study

S Stephan, M Dyga, I Alabd Alhafez, J Lenhard… - Molecular …, 2021 - Taylor & Francis
The elementary processes of friction in contact processes of two solid bodies occur on the
nanoscale and are difficult to study experimentally. Therefore, molecular dynamics …