Virtual Laboratory of Nanomechanics and Nanomaterials

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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 computaonal atomisc simulaon techniques (for example, density func@onal theory, molecular dynamics simula@ons, Monte Carlo simula@ons, cluster expansion, etc.), mul@-physics connuum simulaons, and theorecal modelling to invesgate the novel phenomena and fundamental physics of atomically thin materials and their potenal applicaons, speciﬁcally: v Smuli responsive smart materials based on atomically thin materials: actuator, sensors, energy harvester, energy converon in micro/nanoelectromechanical systems (MEMS/NEMS). v Molecule transport in nanoporous materials for energy storage and clean environment applicaons, 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 fricon) of graphite, superelascity of graphene 3D assemblies; Lead Scien*st Applicaons Research Facili*es Dr. Zhe Liu Actuators in MEMS/NEMS Compu@ng Facili@es Computaonal Materials Physicist High performance compu*ng facili*es supported from Naonal Computaonal Infrastructure (NCI), Monash Sun Grid Research Exper*se (MSG), and in-house computer cluster. Dr. Liu and his team has experse on (1) Developing advanced Rogers and Liu, atomis*c simulaons JACS 2011, models, techniques, and 2012 soKware to inves*gate Rogers and Liu, APL 2013 57,000 CPUs structure-property relaon 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 applicaons. 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 simulaon codes (licensed) channels for water desalinaon, ion • Developed in-house code, e.g., CE, [email protected] separaon, etc. Ming, et al. Nat. Nanotech 2015 MC, KMC, MM codes. Bocquet, Nat. Nanotech 2015 .

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