Symposium E-5: Mechanics of Multifunctional 2D materials and 2D-based Nanostructures

(Mechanics in Materials Science)

Symposium Organizers:

Ellad Tadmor, University of Minnesota
tadmor@aem.uminn.edu

Shuze Zhu, Massachusetts Institute of Technology
shuzezhu@mit.edu

Cemal Basaran, University at Buffalo
cjb@buffalo.edu

Kuan Zhang, University of Minnesota
zhan4817@umn.edu

Wei Gao, Northwestern University
weigao@northwestern.edu

Symposium Technical Description

Graphene is a two dimensional (2D) material with an array of remarkable electronic, mechanical, chemical, and optical properties. Inspired by the synthesis of graphene, a host of other 2D materials have been discovered (such as transition metal-dichalcogenides, hexagonal boron-nitride, and so on) that can be stacked in different order and orientations to create 2D layered materials with novel properties. Recently, piezoelectric phenomena and deformation-induced structural phase transition in transition metal-dichalcogenides have also attracted significant attention. Moreover, feasible functionalization on the surface of 2D materials offers the possibility of physically or chemically interfacing 2D materials with other nanoscale building blocks for unconventional nanocomposites. Thus 2D materials and 2D-based nanostructures offer exciting possibilities for the creation of multifunctional nanostructures with applications ranging from materials design to energy and the environment.

This symposium aims to bring together experts from the mechanics and material science communities to exchange ideas related to fundamental understanding of the mechanics and physics of 2D materials and 2D-based nanostructures and their technological applications. An example is the development of nanocomposites containing 2D materials, which require an understanding of the load transfer mechanism between components. A key area of interest is the development of predictive methods for modeling 2D layered materials and nanostructures. This is challenging since due to the weak van der Waals interaction between layers, the resulting structures can be incommensurate. Another challenge is how to leverage the extraordinary properties of 2D materials and nanostructures at the device level. Designing such devices requires multiscale computational and experimental methods. Topics in the symposium will include but are not limited to:

  • Fabrication, characterization and testing of 2D and 2D-based nanostructures;
  • Atomistic and multiscale computational methods for 2D and 2D-based nanostructures;
  • Properties of incommensurate 2D materials;
  • Surface buckling of 2D materials: ripples, wrinkles, and bubbles;
  • Thermo-Electro-Mechanical properties of 2D materials;
  • Interfacial properties of 2D materials (van der Waals interactions and beyond);
  • Tribology and wear of 2D materials;
  • Defects and fractures in 2D and 2D-based nanostructures;
  • Structural phase transition in 2D materials;
  • Graphene and graphene oxide based nanocomposite;

 Technical Program

Monday | M1 10:00am-11:40am

E5-1: Mechanics of Multifunctional 2D materials and 2D-based Nanostructures
Room 1105
Session Chair: Ellad Tadmor, Shuze Zhu, Cemal Basaran, Kuan Zhang, Wei Gao  

Track E: Mechanics in Materials Science

10:00 am The wetting property of water on wrinkled surface (Invited)

Xi Chen, Feng Hao

10:30 am Commensuration and incommensuration in the Van der waals heterojunctions (Invited)

Philip Kim

11:00 am Multiscale modeling of stacking mechanics in Van der Waals heterostructures

Peng Zhao

11:20 am Modeling the mechanics of 2D layered heterostructures

Ellad B. Tadmor, Kuan Zhang

Monday | M2 13:00pm-14:40pm

E5-2: Mechanics of Multifunctional 2D materials and 2D-based Nanostructures
Room 1105 Session Chair: Ellad Tadmor, Shuze Zhu, Cemal Basaran, Kuan Zhang, Wei Gao  

Track E: Mechanics in Materials Science

13:00 pm Mechanics and electromechanics of graphene kirigami (Invited)

Harold Park

13:30 pm The role of mechanical constraints in electromechanical and structural phase change properties of two-dimensional materials (Invited)

Evan Reed

14:00 pm Programmable extreme pseudomagnetic fields in graphene by a uniaxial stretch

Shuze Zhu, Teng Li

14:20 pm Unusual fracture behavior of polycrystalline silicene

Xianqiao Wang, Ning Liu

Monday | M3 15:00pm-16:40pm

E5-3: Mechanics of Multifunctional 2D materials and 2D-based Nanostructures
Room 1105 Session Chair: Ellad Tadmor, Shuze Zhu, Cemal Basaran, Kuan Zhang, Wei Gao  

Track E: Mechanics in Materials Science

15:00 pm Effect of strain and temperature on mechanical and thermal transport properties of monolayer MoS2

MD Zahabul Islam, Baoming Wang, M. Aman Haque

15:20 pm Temperature dependence of joule heating in zigzag graphene nanoribbon

Cemal Basaran

15:40 pm High temperature and current density induced degradation of multi-layer graphene

Baoming Wang, Aman Haque, Alexander E. Mag-isa, Jae-Hyun Kim, Hak-Joo Lee

16:00 pm Bending fluctuations as an explanation for the negative thermal expansion coefficient of graphene

Prashant Kishore Purohit, Xiaojun Liang

16:20 pm Nonlinear elasticity and the thermal fluctuations of graphene

Fatemeh Ahmadpoor, Peng Wang, Rui Huang, Pradeep Sharma

 

Tuesday | T1 10:00am-11:40am

E5-4: Mechanics of Multifunctional 2D materials and 2D-based Nanostructures
Room 1105 Session Chair: Ellad Tadmor, Shuze Zhu, Cemal Basaran, Kuan Zhang, Wei Gao  

Track E: Mechanics in Materials Science

10:00 am Multiscale modeling and experiment of 2D materials and structures (Invited)

Markus Buehler

10:30 am Topological toughening of graphene and other 2D materials (Invited)

Huajian Gao

11:00 am Stone-wales defects in graphene nano ribbons

Cemal Basaran

11:20 am Configurational anisotropy and toughness asymmetry in graphene

Venkateswaran Santhanam, Zubaer Hossain

 Tuesday | T2 13:00pm-14:40pm

E5-5: Mechanics of Multifunctional 2D materials and 2D-based Nanostructures
Room 1105 Session Chair: Ellad Tadmor, Shuze Zhu, Cemal Basaran, Kuan Zhang, Wei Gao  

Track E:   Mechanics in Materials Science

13:00 pm A theory of multiscale modelling of 2D materials from atoms to continuum

James Lee, Jiaoyan Li, Zhen Zhang

13:20 pm A coarse-grained model for the mechanical behavior of graphene oxide

Zhaoxu Meng

13:40 pm Damage mechanics of graphene nano ribbons with defect

Cemal Basaran

14:00 pm Nanoscale patterning of graphene by hydrogen plasma: a molecular dynamics study

Abhilash Harpale, Huck Beng Chew

14:20 pm Fracture and wrinkling of graphene: effect of complex loading and hydrogen functionalization

Dibakar Datta, Siva Nadimpalli, Yinfeng Li

Tuesday | T3 15:00pm-16:40pm

E5-6: Mechanics of Multifunctional 2D materials and 2D-based Nanostructures
Room 1105 Session Chair: Ellad Tadmor, Shuze Zhu, Cemal Basaran, Kuan Zhang, Wei Gao  

Track E:   Mechanics in Materials Science

15:00 pm Unraveling properties in armchair and zigzag graphene nanoribbons

Weixiang Zhang

15:20 pm Structural transformation of 2D nanosheets to 1D materials

Kasra Momeni

15:40 pm Interfacial properties in 2D graphene oxide based nanocomposite

Wei Gao, Horacio Espinosa

16:00 pm Multifunctional hierarchical fibers from self-assembled graphene ribbons

Sameh Tawfick, Kaihao Zhang, Matthew Poss

16:20 pm High strength graphene oxide-polymer nanocomposites

Jamison Lee Bartlett

Wednesday | W1 10:00am-11:40am

E5-7: Mechanics of Multifunctional 2D materials and 2D-based Nanostructures
Room 1105 Session Chair: Ellad Tadmor, Shuze Zhu, Cemal Basaran, Kuan Zhang, Wei Gao  

Track E: Mechanics in Materials Science

10:00 am Molecular dynamics study on nanoindentation experiments of monolayer molybdenum disulfide membranes

Weidong Wang, Longlong Li

10:20 am Surface instabilities and multifunctional properties of large area monolayer MoS2

Alper Gurarslan, Yong Zhu

10:40 am Self-healing of molybdenum disulfide to silicon oxide

Kenneth M. Liechti

11:00 am Misfit dislocation mechanics in lateral heterostructures of 2D materials

Harley Johnson, Brian McGuigan, Pascal Pochet

11:20 am A unified model for wettability gradient-driven motion of water droplet on solid surfaces

Qingchang Liu, Baoxing Xu

 Wednesday | W1 10:00am-11:40am 

E5-8: Mechanics of Multifunctional 2D materials and 2D-based Nanostructures
Room 2112 Session Chair: Ellad Tadmor, Shuze Zhu, Cemal Basaran, Kuan Zhang, Wei Gao  

Track E: Mechanics in Materials Science

10:00 am Prediction of a two-dimensional trisulfur dinitride (S3N2) solid for nanoscale optoelectronic applications

Hang Xiao

10:20 am Electronic response of vdW heterostructures at extreme deformation

Kazi Istiaque Alam, Zubaer Hossain

10:40 am Defective 2D materials for energy storage: current and future directions

Dibakar Datta

11:00 am Strength of graphene grain boundaries under srbitrary in-plane tension

Upamanyu Ray, Andy Fox, Teng Li

11:20 am Strain-induced programmable half-metal and spin-gapless semiconductor in an edge-doped boron nitride nanoribbon

Shuze Zhu, Teng Li