☆ 4.6 Article

Molecular dynamics simulation of the lubricant conformation changes and energy transfer of the confined thin lubricant film

CHEMICAL ENGINEERING SCIENCE (2023)

相关参考文献

注意：仅列出部分参考文献，下载原文获取全部文献信息。

Article Chemistry, Physical

Ultralow friction of ion-containing water nanodroplets

Jie Tan et al.

Summary: We discovered the ultralow friction or superlubricity of water nanodroplets containing cations and anions on graphene substrates at high ion concentration through molecular dynamics simulations. The friction coefficients of water nanodroplets are lower than 10(-2) when the ion concentration exceeds 7 wt.% and the nanodroplet diameter is larger than 10 nm, and can decrease to the order of 10(-3) with further increase in ion concentration. An optimal nanodroplet diameter of 17-20 nm exists at a certain ion concentration, where the friction coefficient is the lowest. The ultralow friction behaviors of water nanodroplets containing cations and anions are mainly attributed to the opposite variation trends between the interfacial adhesion energy and surface energy of water nanodroplet with ion concentration and the sustained interfacial hydrophobicity at high ion concentration.

NANO RESEARCH (2023)

添加到收藏夹

Article Chemistry, Physical

The role of hydrated anions in hydration lubrication

Zibo Li et al.

Summary: This study investigates the lubrication effect of hydrated halogen anions on positively charged surfaces using atomic force microscopy and friction force microscopy. The results show that the mechanical properties of the hydration layers depend on the concentration of electrolyte solutions, and the friction coefficient and friction dissipation are significantly lower at low concentrations. Superlubricity can be achieved in low concentration electrolyte solution. These findings provide insights into the origins of hydration lubrication.

NANO RESEARCH (2023)

添加到收藏夹

Article Nanoscience & Nanotechnology

How Polytetrafluoroethylene Lubricates Iron: An Atomistic View by Reactive Molecular Dynamics

Qiang Xu et al.

Summary: The tribochemistry and transfer film formation at the metal/polymer interface have important implications for surface protection, wear reduction, and lubrication. Through molecular dynamics simulations, this study reveals the mechanisms of tribochemical reactions between iron and polytetrafluoroethylene (PTFE), as well as the formation of transfer films. The results show that mechanical shearing leads to the degradation of PTFE molecules and radicals, followed by oxidation and hydroxylation reactions. Additionally, the study highlights the role of a friction-induced oriented molecular layer in reducing friction and achieving excellent lubrication.

ACS APPLIED MATERIALS & INTERFACES (2022)

添加到收藏夹

Article Chemistry, Multidisciplinary

High Performance Space Lubrication of MoS2 with Tantalum

Peter Series et al.

Summary: This article presents a novel MoS2 + tantalum lubricant coating that demonstrates adaptable performance in multiple environments, excelling as a lubricant in both terrestrial and space conditions.

ADVANCED FUNCTIONAL MATERIALS (2022)

添加到收藏夹

Article Chemistry, Physical

Probing the hydration friction of ionic interfaces at the atomic scale

Zibo Li et al.

Summary: This study investigated hydration friction on mica-electrolyte interfaces using atomic force microscopy. The results showed that hydration force was higher at high ionic concentrations and the hydration friction coefficient followed the trend K+< Na+< Li+< Cs+. This study provides insights into the origins of hydration friction.

NANOSCALE HORIZONS (2022)

添加到收藏夹

Article Computer Science, Interdisciplinary Applications

LAMMPS-a flexible simulation tool for particle-based materials modeling at the atomic, meso, and continuum scales

Aidan P. Thompson et al.

Summary: LAMMPS, a classical molecular dynamics simulator released as an open source code in 2004, has gained popularity for its wide variety of particle interaction models, platform compatibility, and user control over simulation details. With contributions from numerous developers, it has grown from 50,000 lines of code to a million today, showcasing new capabilities like dynamic load balancing and quantum-accuracy machine learning interatomic potentials.

COMPUTER PHYSICS COMMUNICATIONS (2022)

添加到收藏夹

Article Chemistry, Multidisciplinary

Adsorption Behavior of TEMPO-Based Organic Friction Modifiers during Sliding between Iron Oxide Surfaces: A Molecular Dynamics Study

Xingyu Chen et al.

Summary: The research reveals that C12TEMPO, a new type of organic friction modifier, can form stable boundary films with a double-layer structure during sliding. This is attributed to the presence of two functional groups of different types in C12TEMPO, which enhances the strength of the boundary films and provides high strength and self-repair ability.

LANGMUIR (2022)

添加到收藏夹

Article Engineering, Mechanical

A molecular dynamics study on the synergistic lubrication mechanisms of graphene/water-based lubricant systems

Chenjie Li et al.

Summary: Water-based lubricants with graphene exhibit excellent lubrication performance, with the friction reduction attributed to the enhanced isolation between friction pairs by graphene presence and improved water replenishment. The synergistic lubrication mechanism involves water molecules protecting graphene's structural integrity by inducing movement to release lateral stresses, and graphene enhancing water molecule movement to promote rolling like bearings.

TRIBOLOGY INTERNATIONAL (2022)

添加到收藏夹

Article Engineering, Chemical

High Friction Mechanism of ZDDP Tribofilm Based on in situ AFM Observation of Nano-Friction and Adhesion Properties

Kaisei Sato et al.

Summary: This study investigates the nano-friction and adhesion properties of ZDDP tribofilms through in situ observations and experiments, revealing the relationship between the formation process and physical properties of the tribofilms.

TRIBOLOGY LETTERS (2022)

添加到收藏夹

Article Chemistry, Physical

Effects of thermostats/barostats on physical properties of liquids by molecular dynamics simulations

Qia Ke et al.

Summary: The choice of thermostats/barostats has a significant impact on the accuracy of simulated properties in molecular dynamics simulations. Nose-Hoover/V-rescale thermostat and Parrinello-Rahman barostat with moderate coupling strength are recommended for common NVT/NPT production simulations.

JOURNAL OF MOLECULAR LIQUIDS (2022)

添加到收藏夹

Article Nanoscience & Nanotechnology

MoS2/WS2 Nanosheet-Based Composite Films Irradiated by Atomic Oxygen: Implications for Lubrication in Space

Xin Fan et al.

Summary: By adding a small amount of WS2 to the MoS2 matrix, irradiation tolerance can be improved and oxidation depth can be reduced, resulting in a composite film with low friction coefficient and wear rate in an oxidizing environment.

ACS APPLIED NANO MATERIALS (2021)

添加到收藏夹

Article Chemistry, Physical

Low energy proton irradiation tolerance of molybdenum disulfide lubricants

Eric Nicholson et al.

Summary: This study investigates the tribological degradation of a space-grade molybdenum disulfide lubricant exposed to low energy protons, finding a significant increase in coefficient of friction and wear rate with higher fluence levels. Nanoindentation and spectroscopic analysis identified that the degradation mechanism is the preferential removal of sulfur, leading to a non-stoichiometric MoS2-x surface with compromised tribological properties. Research missions should plan to characterize the magnitude of radiation damage effects on lubricants in space missions beyond low-earth orbit.

APPLIED SURFACE SCIENCE (2021)

添加到收藏夹

Review Engineering, Chemical

Contributions of Molecular Dynamics Simulations to Elastohydrodynamic Lubrication

James P. Ewen et al.

Summary: The prediction of friction under elastohydrodynamic lubrication (EHL) conditions is a crucial and controversial area in tribology, and molecular dynamics (MD) simulation has been increasingly used to understand molecular behavior in EHL. MD simulation has shown quantitative agreement with experimental friction and viscosity results, making it a valuable tool to test and inform macro-scale models for EHL problems.

TRIBOLOGY LETTERS (2021)

添加到收藏夹

Article Chemistry, Physical

Effects of shear flow on the structure and dynamics of ionic liquids in a metallic nanoconfinement

Samuel Ntim et al.

Summary: Shear flow can induce the formation of a solid-like glassy layer in [BMIM][BF4] at the interface and alter the fluid properties in certain regions. The behavior of the system deviates from ideal linear Couette flow, with a disordered solid-like layer forming near the shearing slabs.

PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2021)

添加到收藏夹

Article Nanoscience & Nanotechnology

Effects of surface nanostructure on boundary lubrication using molecular dynamics

Ling Pan et al.

Summary: Molecular dynamics simulations were used to study the boundary lubrication behaviors of squalane lubricant between two iron wall structures during shearing at different pressures and temperatures. The results showed that the surface nanostructure significantly affected the film thickness and delamination of the lubricating film but had little impact on the velocity distribution, while the nano strip groove helped reduce the friction coefficient of the boundary lubrication system.

NANOTECHNOLOGY AND PRECISION ENGINEERING (2021)

添加到收藏夹

Article Engineering, Chemical

Coarse-Grained Molecular Dynamics Simulations of Boundary Lubrication on Nanostructured Metal Surfaces

Jan-Michael Albina et al.

TRIBOLOGY LETTERS (2020)

添加到收藏夹

Article Chemistry, Multidisciplinary

Progressive Molecular Rearrangement and Heat Generation of Amorphous Polyethene Under Sliding Friction: Insight from the United-Atom Molecular Dynamics Simulations

Yuanbao Qang et al.

LANGMUIR (2020)

添加到收藏夹

Article Chemistry, Physical

Molecular Dynamics Simulation on Thin-Film Lubrication of a Mixture of Three Alkanes

Run Du et al.

MATERIALS (2020)

添加到收藏夹

Article Nanoscience & Nanotechnology

Tribochemical Conversion of Methane to Graphene and Other Carbon Nanostructures: Implications for Friction and Wear

Giovanni Ramirez et al.

ACS APPLIED NANO MATERIALS (2020)

添加到收藏夹

Article Engineering, Mechanical

High Temperature Microtribological Studies of MoS2 Lubrication for Low Earth Orbit

Peter Serles et al.

LUBRICANTS (2020)

添加到收藏夹

Article Multidisciplinary Sciences

Atomic-scale mapping of hydrophobic layers on graphene and few-layer MoS2 and WSe2 in water

Manuel R. Uhlig et al.

NATURE COMMUNICATIONS (2019)

添加到收藏夹

Article Chemistry, Physical

Comparing space adaptability of diamond-like carbon and molybdenum disulfide films toward synergistic lubrication

Wenhua Zhuang et al.

CARBON (2018)

添加到收藏夹

Article Engineering, Aerospace

An accelerated life test model for solid lubricated bearings used in space based on time-varying dependence analysis of different failure modes

Chao Zhang et al.

ACTA ASTRONAUTICA (2018)

添加到收藏夹

Article Chemistry, Multidisciplinary

Atomic- and Molecular-Resolution Mapping of Solid-Liquid Interfaces by 3D Atomic Force Microscopy

Takeshi Fukuma et al.

ACS NANO (2018)

添加到收藏夹

Article Thermodynamics

A molecular dynamics study on the thermal energy transfer and momentum transfer at the solid-liquid interfaces between gold and sheared liquid alkanes

Abdul Rafeq bin Saleman et al.

INTERNATIONAL JOURNAL OF THERMAL SCIENCES (2017)

添加到收藏夹

Article Chemistry, Physical

Perfluoropolyethers: Development of an All-Atom Force Field for Molecular Simulations and Validation with New Experimental Vapor Pressures and Liquid Densities

Jana E. Black et al.

JOURNAL OF PHYSICAL CHEMISTRY B (2017)

添加到收藏夹

Article Engineering, Chemical

The effect of space irradiation on the lubricating performance of perfluoropolyether greases in simulated space environment

Mei Lv et al.

LUBRICATION SCIENCE (2017)

添加到收藏夹

Article Engineering, Mechanical

Space grease lubrication modeling: A discrete element approach

Magali Busquet et al.

TRIBOLOGY INTERNATIONAL (2017)

添加到收藏夹

Article Chemistry, Multidisciplinary

Water Transport with Ultralow Friction through Partially Exfoliated g-C3N4 Nanosheet Membranes with Self-Supporting Spacers

Yanjie Wang et al.

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2017)

添加到收藏夹

Review Engineering, Chemical

Ionic Liquids in Space Technology - Current and Future Trends

Paul Nancarrow et al.

CHEMBIOENG REVIEWS (2017)

添加到收藏夹

Article Chemistry, Physical

Space survivability of carbon nanotube yarn material in low Earth orbit

A. R. Hopkins et al.

CARBON (2016)

添加到收藏夹

Article Engineering, Mechanical

Shear thinning behavior of nanometer-thick perfluoropolyether films confined between corrugated solid surfaces: a coarse-grained molecular dynamics study

Hedong Zhang et al.

TRIBOLOGY INTERNATIONAL (2016)

添加到收藏夹

Article Thermodynamics

Confined fluid density of a pentaerythritol tetraheptanoate lubricant investigated using molecular dynamics simulation

Ling Pan et al.

FLUID PHASE EQUILIBRIA (2015)

添加到收藏夹

Review Engineering, Mechanical

Carbon-based solid-liquid lubricating coatings for space applications-A review

Xiaoqiang Fan et al.

FRICTION (2015)

添加到收藏夹

Article Chemistry, Physical

Dependence between velocity slip and temperature jump in shear flows

Jie Sun et al.

JOURNAL OF CHEMICAL PHYSICS (2013)

添加到收藏夹

Article Engineering, Mechanical

A molecular dynamics simulation of boundary lubrication: The effect of n-alkanes chain length and normal load

Xuan Zheng et al.

WEAR (2013)

添加到收藏夹

Review Physics, Applied

Space tribology: its role in spacecraft mechanisms

E. W. Roberts

JOURNAL OF PHYSICS D-APPLIED PHYSICS (2012)

添加到收藏夹

Article Chemistry, Physical

Flow dependence of interfacial thermal resistance in nanochannels

Chong Liu et al.

JOURNAL OF CHEMICAL PHYSICS (2010)

添加到收藏夹

Article Engineering, Aerospace

A study of on-orbit spacecraft failures

Mak Tafazoli

ACTA ASTRONAUTICA (2009)

添加到收藏夹

Article Thermodynamics

Molecular dynamics simulations of heat and momentum transfer at a solid-fluid interface: Relationship between thermal and velocity slip

Rajesh Khare et al.

INTERNATIONAL JOURNAL OF HEAT AND MASS TRANSFER (2006)

添加到收藏夹

Article Physics, Multidisciplinary

Solvation forces in branched molecular liquids

R Lim et al.

PHYSICAL REVIEW LETTERS (2002)

添加到收藏夹

Article Engineering, Mechanical

Lubricant properties for input to hydrodynamic and elastohydrodynamic lubrication analyses

R Larsson et al.

PROCEEDINGS OF THE INSTITUTION OF MECHANICAL ENGINEERS PART J-JOURNAL OF ENGINEERING TRIBOLOGY (2000)

添加到收藏夹

Article Engineering, Mechanical

Lubricant thermal conductivity and heat capacity under high pressure

R Larsson et al.

PROCEEDINGS OF THE INSTITUTION OF MECHANICAL ENGINEERS PART J-JOURNAL OF ENGINEERING TRIBOLOGY (2000)

添加到收藏夹

© Peeref 2019-2024. All rights reserved.