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Meeting 2027 TMS Annual Meeting & Exhibition
Symposium 2D Materials – Preparation, Properties, Modeling & Applications
Presentation Title Linking Microstructure and Friction in Molybdenum Disulfide
Author(s) Michael Chandross, Mark Wilson, Daniel Moore, Tomas Babuska, John Curry
On-Site Speaker (Planned) Michael Chandross
Abstract Scope Solid lubricants like molybdenum disulfide (MoS2) are often used in aerospace applications because of their extremely low friction coefficients (μ~0.01) in vacuum. The microstructure of coatings can vary among vendors, deposition methods and sliding history, and this strongly affects the tribological response. Additionally, as-deposited coatings generally show high friction and must be run in over tens to hundreds of cycles to develop the basally-oriented microstructure necessary for a low friction sliding interface. We will present the results of molecular dynamics simulations aimed at understanding the links between microstructure and friction with an ultimate goal of predicting the time-dependent macroscale response of coatings. We study polycrystalline microstructures with grain sizes ranging from 2-40 nm, and orientations varying from fully random to basally oriented. We use these results to develop constitutive models appropriate for the inclusion of time-dependent friction in continuum-level analysis of tribological contacts.
Proceedings Inclusion? Planned:
Keywords Thin Films and Interfaces, Mechanical Properties, Modeling and Simulation

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A Low-Cost Real-Time Monitoring System for Optimized MAX Phase Etching During MXene Synthesis Using a Hydrogen Gas Sensor
Ab Initio Monte Carlo Prediction of Chemical Order and Disorder of Multicomponent MXenes
Advancing Synthesis of 2D Carbides (MXenes)
Architected 3D Materials from 2D Nanosheets and Magnetic Nanocomposites for Advanced Energy, Electronic, and Soft Robotic Systems
Atomic Defects in van der Waals Materials
Atomistic Insights into the Graphite-to-Diamond Phase Transformation via Deep Neural Network Potential Molecular Dynamics
Atomistic Modeling of Defect Evolution in 2D Materials Under Extremes
CALPHAD-Based Predictive Modelling of 2D Material Synthesis
Carbon based Novel 2-D and 3-D Materials: A New Frontier
Carbon Enabled High Performance Dielectrics for Nanoelectronics
Composition Dependent Graphene Growth on Combinatorial Ni-Co-Cr Thin Film Catalysts
Computational and Data-Driven Strategies for Electronic and Catalytic Property Engineering in Two-Dimensional Materials
Controlled Synthesis and Exciton Dynamics of Transition Metal Dichalcogenide Bilayers
Data-Driven Discovery and Design of Materials’ Surfaces and Interfaces
Deep Neural Network Molecular Dynamics Modeling of Oxidized Graphene Aerogels
Engineered Thin Films to Counter Microbial Biofilms
Engineering Functional Halide Perovskites by Reactive Solvent Chemistry
Enhanced Graphene-Water Thermal Transport via Edge Functionalization without Compromising In-Plane Thermal Conductivity
Enhancement of electrical conductivity in copper-graphene multilayer system
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High Yield, Bottom-Up/Top-Down CVD Synthesis of 2D Layered Metal Selenides—A Promising Class of Materials for Applications in Electronics and Electrochemistry
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In silico Multiscale Design and Microstructure Evaluation of High-Mobility, Intrinsic p-Type Quasi-random 2D Boron Carbon Nitride
In Situ Shear Exfoliation of Non-Layered, Non–van der Waals Two-Dimensional Nanomaterials and Heterostructures of Layered and Non-Layered Nanoflakes
Insights into domain matching epitaxy for epitaxial growth of diamond on Yttria stabilised Zirconia (YSZ) and sapphire substrates.
Interfacial Adhesion and Dielectric Enhancement in Polyimide-Supported MXene/Perovskite Triboelectric Nanogenerator
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Kinetics of Desulfurization and Denitrification by Industrial Waste under the Microwave Field
Kinetics of vacancy-assisted reversible phase transition in monolayer MoTe2
Laser-Induced Bandgap Engineering of Graphitic Carbon Surfaces
Linking Microstructure and Friction in Molybdenum Disulfide
Low-Temperature Growth of Continuous Large-Area Diamond Films Enabled by pulsed laser annealed Q-Carbon Seeding
M- and X-Site Engineering of MXene Structure and Properties
Metal Organic Chemical Vapor Depostion of 2-dimensional Transition Metal Dichalcogenides
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Seed-Mediated Evolution of SnS₂–SnSe₂ Heterostructures: From Core–Shell to Hollow Architectures
Self-Assembly of 2D Nanomaterials during Debinding from Self-Limiting Electrospray Deposition
Solvent-Free Mechanochemical Synthesis of Ti3C2Tx and Nitrogen-Doped Ti3C2Tx MXenes with Improved Li-Ion Storage Performance
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Strain Engineering in One-Dimensional Van Der Waals Thin Film
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