Virtual Laboratory of Nanomechanics and Nanomaterials
The virtual lab of nanomechanics and nanomaterials (VLNN) led by Dr. Zhe Liu focuses on employing state-of-the-art computa onal atomis c simula on techniques (for example, density func onal theory, molecular dynamics simula ons, Monte Carlo simula ons, cluster expansion, etc.), mul -physics con nuum simula ons, and theore cal modelling to inves gate the novel phenomena and fundamental physics of atomically thin materials and their poten al applica ons, specifically: v S muli responsive smart materials based on atomically thin materials: actuator, sensors, energy harvester, energy conver on in micro/nanoelectromechanical systems (MEMS/NEMS). v Molecule transport in nanoporous materials for energy storage and clean environment applica ons, par cularly those that are fabricated by self assembly of atomically thin materials, such as graphene/graphene oxide membranes, 3D graphene sponge; v Novel nanomechanical phenomena and theories of atomically thin layered materials, e.g., superlubricity (zero fric on) of graphite, superelas city of graphene 3D assemblies;
Lead Scien st Applica ons Research Facili es Dr. Zhe Liu Actuators in MEMS/NEMS Compu ng Facili es Computa onal Materials Physicist High performance compu ng facili es supported from Na onal Computa onal Infrastructure (NCI), Monash Sun Grid Research Exper se (MSG), and in-house computer cluster. Dr. Liu and his team has exper se on (1) Developing advanced Rogers and Liu, atomis c simula ons JACS 2011, models, techniques, and 2012 so ware to inves gate Rogers and Liu, APL 2013 57,000 CPUs structure-property rela on 160 TB memory of nanomaterials and The rGO ar ficial muscle having a volumetric work density 104 higher nanostructures; than natural skeleton muscle. (2) Designing novel materials and micro/nano devices for Molecule Transport in energy storage, energy Nano Porous Materials conversion, clean energy, and related applica ons. Codes and Models
! Key Contact Energy storage in Supercapacitors Dr. Zhe Liu Department of Mechanical & Aerospace Engineering +613 9905 3627 Fast molecule transport in nano- • General simula on codes (licensed) channels for water desalina on, ion • Developed in-house code, e.g., CE, [email protected] separa on, etc. Ming, et al. Nat. Nanotech 2015 MC, KMC, MM codes. Bocquet, Nat. Nanotech 2015