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Fan Xu's picture

Effect of surface topography on anisotropic friction of graphene layers

Tribological behavior of graphene layers has been a focus of intensive research interest since its crystal lattice structure can be exploited to achieve incommensurate contact, leading to nearly zero friction, namely structural superlubricity. However, wrinkling undulations are omnipresent on graphene and difficult to be completely eliminated, which inevitably resists superlubricity in reality. Here, we explore how the presence of surface wrinkles affects nanotribological behavior of graphene sliding systems.

Nuwan Dewapriya's picture

Characterizing fracture stress of defective graphene samples using shallow and deep artificial neural networks

Abstract: Advanced machine learning methods could be useful to obtain novel insights into some challenging nanomechanical problems. In this work, we employed artificial neural networks to predict the fracture stress of defective graphene samples. First, shallow neural networks were used to predict the fracture stress, which depends on the temperature, vacancy concentration, strain rate, and loading direction.

Yang Lu's picture

Elastic straining of free-standing monolayer graphene

The extraordinary mechanical properties of graphene were measured on very small or supported samples. In our new paper published in Nature Communications, by developing a protocol for sample transfer, shaping and straining, we report the outstanding elastic properties and stretchability of free-standing single-crystalline monolayer graphene under in situ tensile tests.

Teng Cui's picture

Fatigue of Graphene

Materials can suffer mechanical fatigue when subjected to cyclic loading at stress levels much lower than the ultimate tensile strength, and understanding this behaviour is critical to evaluating long-term dynamic reliability. The fatigue life and damage mechanisms of two-dimensional (2D) materials, of interest for mechanical and electronic applications, are currently unknown. Here, we present a fatigue study of freestanding 2D materials, specifically graphene and graphene oxide (GO).

Two fully funded PhD positions at IIT Indore

Dear All:

 Two fully funded PhD positions are available in the Applied and Theoretical Mechanics (ATOM) Lab (, Department of Mechanical Engineering at Indian Institute of Technology (IIT), Indore.

Haoran Wang's picture

Modeling Uncertainties in Molecular Dynamics Simulations Using A Stochastic Reduced-Order Basis

We've recently published our new study about Uncertainty Quantification in Molecular Dynamics (MD) Simulations. Due to the selection of functional forms of interatomic potentials or the numerical approximation, MD simulations may predict different material behavior from experiments or other high-fidelity results. In this study, we used Stochastic Reduced Order Modeling (SROM) to achieve

(1) mechanical behavior of graphene predicted by MD simulations in good agreement with the continuum model which has been calibrated by experiments;

Nuwan Dewapriya's picture

Performing Uniaxial Tensile Tests of Graphene in LAMMPS

I would like to share the codes required to perform an end-to-end molecular dynamics simulation, which will be useful to the novice researchers in the filed of atomistic simulations. I focus on simulating uniaxial tensile tests of a graphene sample in the LAMMPS molecular dynamics simulator, and I have attached two MATLAB scripts to create the input files for LAMMPS and to extract data from the LAMMPS output file.

Jingjie Yeo's picture

Multiscale Design of Graphyne‐Based Materials for High‐Performance Separation Membranes Computational modeling and simulations play an integral role in the bottom‐up design and characterization of graph‐n‐yne materials. Here, the state of the art in modeling α‐, β‐, γ‐, δ‐, and 6,6,12‐graphyne nanosheets for synthesizing graph‐2‐yne materials and 3D architectures thereof is discussed.

Jingjie Yeo's picture

Paraffin-enabled graphene transfer We report a transfer approach using paraffin as a support layer, whose thermal properties, low chemical reactivity and non-covalent affinity to graphene enable transfer of wrinkle-reduced and clean large-area graphene.

Harold S. Park's picture

Designing Highly Stretchable Kirigami Using Machine Learning

Accelerated Search and Design of Stretchable Graphene Kirigami Using Machine Learning

P.Z. Hanakata, E.D. Cubuk, D.K. Campbell and H.S. Park

msaeidi's picture

High thermal conductivity through simultaneously aligned polyethylene lamellae and graphene nanoplatelets

The effect of simultaneous alignment of polyethylene (PE) lamellae and graphene nanoplatelets (GnP) on thermal conductivity (k) of PE-GnP composites is investigated. Measurements reveal a large increase of 1100% in k of the aligned PE-GnP composite using 10 weight% GnPs relative to unoriented pure PE. Rate of increase of k with applied strain for the pure PE-GnP composite with 10 wt% GnP is found to be almost a factor of two higher than the pure PE sample, pointing to the beneficial effect of GnP alignment on k enhancement.

Jingjie Yeo's picture

Unusually low and density-insensitive thermal conductivity of three-dimensional gyroid graphene Graphene has excellent mechanical, thermal and electrical properties. However, there are limitations in utilizing monolayers of graphene for mechanical engineering applications due to its atomic thickness and lack of bending rigidity. Synthesizing graphene aerogels or foams is one approach to utilize graphene in three-dimensional bulk forms. Recently, graphene with a gyroidal geometry has been proposed.

exw569's picture

Postdoctoral position in nanomechanics of 2D nanomaterials

The School of Engineering and Materials Science at Queen Mary University of London has a vacancy for a Postdoctoral Research Assistant (PDRA) to develop computational models of ultra-flexible 2D nanomaterials in sheared liquids, using techniques borrowed from computational fluid and solid mechanics.

Shuze Zhu's picture

Compressible, Dense, Three-Dimensional Holey Graphene Monolithic Architecture

We demonstrated outstanding compressibility of holey graphene nanosheets, which is impossible for pristine graphene. Holey graphene powder can be easily compressed into dense and strong monoliths with different shapes at room temperature without using any solvents or binders. 

ACS Nano, Article ASAP,


qing.peng's picture

The normal-auxeticity mechanical phase transition in graphene

When a solid object is stretched, in general, it shrinks transversely. However, the abnormal ones are auxetic, which exhibit lateral expansion, or negative Poisson ratio. While graphene is a paradigm 2D material, surprisingly, graphene converts from normal to auxetic at certain strains. Here, we show via molecular dynamics simulations that the normal-auxeticity mechanical phase transition only occurs in uniaxial tension along the armchair direction or the nearest neighbor direction. Such a characteristic persists at temperatures up to 2400 K.

susanta's picture

Funded Ph.D. position in the Department of Mechanical Engineering- Engineering Mechanics at the Michigan Technological University

We are looking for a self-motivated PhD student to study Multi-Scale Material Modeling for different material systems such as Graphene and Polymeric Materials. This position is supported by the MEEM Department at MTU. This project will draw ideas from various subjects including Computational Mechanics and Materials Physics.

The candidate would have access to the advanced computing facilities, collaborations with researchers in other universities, and experimental collaborations. 

On structured surfaces with defects: geometry, strain incompatibility, internal stress, and natural shapes

Given a distribution of defects on a structured surface, such as those represented by 2-dimensional crystalline materials, liquid crystalline surfaces, and thin sandwiched shells, what is the resulting stress field and the deformed shape? Motivated by this concern, we first classify, and quantify, the translational, rotational, and metrical defects allowable over a broad class of structured surfaces. With an appropriate notion of strain, the defect densities are then shown to appear as sources of strain incompatibility.

Jingjie Yeo's picture

Free-standing graphene slit membrane for enhanced desalination This study considers two novel ideas to further explore and enhance the graphene membrane for desalination. Firstly, while earlier molecular dynamics (MD) simulations studies have used frozen membranes, free-standing membrane is considered here. Since 2D membranes are usually embedded on porous support in the experimental reverse osmosis (RO) process, the free-standing membrane can more accurately model the behavior expected during operation.

Antonino Favata's picture

Graphene is softer to bend when stretched and bent and harder to stretch when bent and moderately stretched


In the attached paper, we have shown that concomitant bending and stretching, whatever their value, concur to make bending stiffness decrease; moreover, concomitant bending and stretching make the stretching stiffness (or the Young modulus) increase until the applied forces reach a threshold value, then they make it decrease. Said differently, graphene is softer to bend when stretched and bent and harder to stretch when bent and moderately stretched.



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